Unit Operation Models

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Unit Oper at ion Models iii
Ver sion 10
Cont ent s
About the Uni t Operati on Models Reference Manual
For Mor e Infor mat ion.............................................................................................................. x
Technical Suppor t .................................................................................................................. xi
1 Mi xers and Spli tters
Mixer .....................................................................................................................................1-2
Flowsheet Connect ivit y for Mixer ....................................................................................1-2
Specifying Mixer ............................................................................................................... 1-3
FSplit .....................................................................................................................................1-5
Flowsheet Connect ivit y for FSplit ...................................................................................1-5
Specifying FSplit ...............................................................................................................1-6
SSplit .....................................................................................................................................1-8
Flowsheet Connect ivit y for SSplit ....................................................................................1-8
Specifying SSplit ...............................................................................................................1-8
2 Separators
Flash2....................................................................................................................................2-2
Flowsheet Connect ivit y for Flash2..................................................................................2-2
Specifying Flash2 .............................................................................................................2-3
Flash3....................................................................................................................................2-5
Flowsheet Connect ivit y for Flash3..................................................................................2-5
Specifying Flash3 .............................................................................................................2-6
Decant er ................................................................................................................................2-8
Flowsheet Connect ivit y for Decant er ..............................................................................2-8
Specifying Decant er .........................................................................................................2-9
Sep.......................................................................................................................................2-12
Flowsheet Connect ivit y for Sep ......................................................................................2-12
Specifying Sep .................................................................................................................2-13
Sep2 .....................................................................................................................................2-14
Flowsheet Connect ivit y for Sep2 ....................................................................................2-14
Specifying Sep2...............................................................................................................2-15
3 Heat Exchangers
Heat er ...................................................................................................................................3-2
Flowsheet Connect ivit y for Heat er ..................................................................................3-2
Specifying Heat er .............................................................................................................3-3
Heat X....................................................................................................................................3-5
Flowsheet Connect ivit y for Heat X...................................................................................3-5
Specifying Heat X..............................................................................................................3-6
Refer ences ...........................................................................................................................3-18
iv Unit Oper at ion Models
Ver sion 10
MHeat X.............................................................................................................................. 3-19
Flowsheet Connect ivit y for MHeat X............................................................................ 3-19
Specifying MHeat X........................................................................................................ 3-20
Het r an ................................................................................................................................ 3-23
Flowsheet Connect ivit y for Het r an .............................................................................. 3-23
Specifying Het r an .......................................................................................................... 3-24
Aer ot r an ............................................................................................................................. 3-26
Flowsheet Connect ivit y for Aer ot r an ........................................................................... 3-26
Specifying Aer ot r an ....................................................................................................... 3-27
4 Columns
DSTWU ................................................................................................................................ 4-3
Flowsheet Connect ivit y for DSTWU................................................................................ 4-3
Specifying DSTWU........................................................................................................... 4-4
Dist l ...................................................................................................................................... 4-6
Flowsheet Connect ivit y for Dist l...................................................................................... 4-6
Specifying Dist l ................................................................................................................ 4-7
SCFr ac.................................................................................................................................. 4-8
Flowsheet Connect ivit y for SCFr ac ................................................................................. 4-8
Specifying SCFr ac ............................................................................................................ 4-9
RadFr ac.............................................................................................................................. 4-11
Flowsheet Connect ivit y for RadFr ac ............................................................................ 4-12
Specifying RadFr ac........................................................................................................ 4-13
Fr ee-Wat er and Rigor ous Thr ee-Phase Calculat ions .................................................. 4-20
Efficiencies ..................................................................................................................... 4-20
Algor it hms...................................................................................................................... 4-22
Rat ing Mode ................................................................................................................... 4-23
Design Mode................................................................................................................... 4-24
React ive Dist illat ion ...................................................................................................... 4-25
Solut ion St r at egies ........................................................................................................ 4-25
Physical Pr oper t ies ........................................................................................................ 4-28
Solids Handling ............................................................................................................. 4-28
Mult iFr ac ........................................................................................................................... 4-30
Flowsheet Connect ivit y for Mult iFr ac.......................................................................... 4-31
Specifying Mult iFr ac..................................................................................................... 4-33
Efficiencies ..................................................................................................................... 4-41
Algor it hms...................................................................................................................... 4-42
Rat ing Mode ................................................................................................................... 4-42
Design Mode................................................................................................................... 4-42
Column Conver gence..................................................................................................... 4-43
Physical Pr oper t ies ........................................................................................................ 4-46
Fr ee Wat er Handling..................................................................................................... 4-46
Solids Handling ............................................................................................................. 4-46
Sizing and Rat ing of Tr ays and Packings .................................................................... 4-47
Pet r oFr ac............................................................................................................................ 4-48
Flowsheet Connect ivit y for Pet r oFr ac.......................................................................... 4-49
Specifying Pet r oFr ac...................................................................................................... 4-51
Efficiencies ..................................................................................................................... 4-57
Unit Oper at ion Models v
Ver sion 10
Conver gence.................................................................................................................... 4-58
Rat ing Mode....................................................................................................................4-59
Design Mode ...................................................................................................................4-59
Physical Pr oper t ies.........................................................................................................4-60
Fr ee Wat er Handling .....................................................................................................4-60
Solids Handling ..............................................................................................................4-61
Sizing and Rat ing of Tr ays and Packings .....................................................................4-61
Rat eFr ac..............................................................................................................................4-62
Flowsheet Connect ivit y for Rat eFr ac............................................................................4-63
The Rat e-Based Modeling Concept................................................................................4-65
Specifying Rat eFr ac .......................................................................................................4-66
Mass and Heat Tr ansfer Cor r elat ions...........................................................................4-77
Refer ences ...........................................................................................................................4-85
Ext r act ................................................................................................................................4-87
Flowsheet Connect ivit y for Ext r act ...............................................................................4-87
Specifying Ext r act ..........................................................................................................4-88
5 Reactors
RSt oic ....................................................................................................................................5-2
Flowsheet Connect ivit y for RSt oic ..................................................................................5-2
Specifying RSt oic.............................................................................................................. 5-3
RYield....................................................................................................................................5-6
Flowsheet Connect ivit y for RYield ..................................................................................5-6
Specifying RYield .............................................................................................................5-7
REquil ...................................................................................................................................5-8
Flowsheet Connect ivit y for REquil..................................................................................5-8
Specifying REquil .............................................................................................................5-9
RGibbs .................................................................................................................................5-10
Flowsheet Connect ivit y for RGibbs ...............................................................................5-10
Specifying RGibbs ..........................................................................................................5-11
Refer ences ...........................................................................................................................5-15
RCSTR ................................................................................................................................5-16
Flowsheet Connect ivit y for RCSTR...............................................................................5-16
Specifying RCSTR ..........................................................................................................5-17
RPlug...................................................................................................................................5-21
Flowsheet Connect ivit y for RPlug.................................................................................5-21
Specifying RPlug ............................................................................................................5-22
RBat ch ................................................................................................................................5-25
Flowsheet Connect ivit y for RBat ch ...............................................................................5-25
Specifying RBat ch ..........................................................................................................5-26
6 Pressure Changers
Pump .....................................................................................................................................6-2
Flowsheet Connect ivit y for Pump ...................................................................................6-2
Specifying Pump ...............................................................................................................6-3
Compr ....................................................................................................................................6-9
Flowsheet Connect ivit y for Compr ..................................................................................6-9
Specifying Compr ............................................................................................................6-10
vi Unit Oper at ion Models
Ver sion 10
MCompr .............................................................................................................................. 6-13
Flowsheet Connect ivit y for MCompr ............................................................................. 6-13
Specifying MCompr ........................................................................................................ 6-15
Refer ences .......................................................................................................................... 6-19
Valve................................................................................................................................... 6-20
Flowsheet Connect ivit y for Valve ................................................................................. 6-20
Specifying Valve ............................................................................................................ 6-20
Refer ences .......................................................................................................................... 6-29
Pipe..................................................................................................................................... 6-30
Flowsheet Connect ivit y for Pipe ................................................................................... 6-30
Specifying Pipe .............................................................................................................. 6-31
Two-Phase Cor r elat ions ................................................................................................ 6-35
Closed-For m Met hods.................................................................................................... 6-39
Refer ences .......................................................................................................................... 6-40
Pipeline .............................................................................................................................. 6-42
Flowsheet Connect ivit y for Pipeline............................................................................. 6-42
Specifying Pipeline ......................................................................................................... 6-43
Two-Phase Cor r elat ions ................................................................................................ 6-47
Closed-For m Met hods.................................................................................................... 6-50
Refer ences .......................................................................................................................... 6-52
7 Mani pulators
Mult ...................................................................................................................................... 7-2
Flowsheet Connect ivit y for Mult ...................................................................................... 7-2
Specifying Mult ................................................................................................................ 7-3
Dupl ...................................................................................................................................... 7-4
Flowsheet Connect ivit y for Dupl...................................................................................... 7-4
Specifying Dupl................................................................................................................ 7-5
ClChng ................................................................................................................................. 7-6
Flowsheet Connect ivit y for ClChng................................................................................ 7-6
Specifying ClChng............................................................................................................ 7-6
8 Soli ds
Cr yst allizer .......................................................................................................................... 8-3
Flowsheet Connect ivit y for Cryst allizer .......................................................................... 8-3
Specifying Cryst allizer ..................................................................................................... 8-4
Refer ences .......................................................................................................................... 8-11
Cr usher ............................................................................................................................... 8-13
Flowsheet Connect ivit y for Cr usher ............................................................................. 8-13
Specifying Cr usher ........................................................................................................ 8-14
Refer ences .......................................................................................................................... 8-18
Scr een ................................................................................................................................. 8-19
Flowsheet Connect ivit y for Scr een ............................................................................... 8-19
Specifying Scr een........................................................................................................... 8-19
Refer ences .......................................................................................................................... 8-22
FabFl .................................................................................................................................. 8-23
Flowsheet Connect ivit y for FabFl................................................................................. 8-23
Specifying FabFl............................................................................................................. 8-23
Unit Oper at ion Models vii
Ver sion 10
Refer ences ...........................................................................................................................8-26
Cyclone ................................................................................................................................8-27
Flowsheet Connect ivit y for Cyclone................................................................................8-27
Specifying Cyclone ..........................................................................................................8-28
Refer ences ...........................................................................................................................8-35
VScr ub.................................................................................................................................8-36
Flowsheet Connect ivit y for VScr ub ................................................................................8-36
Specifying VScr ub ...........................................................................................................8-37
Refer ences ...........................................................................................................................8-39
ESP ......................................................................................................................................8-40
Flowsheet Connect ivit y for ESP .....................................................................................8-40
Specifying ESP ................................................................................................................8-41
Refer ences ...........................................................................................................................8-44
HyCyc..................................................................................................................................8-45
Flowsheet Connect ivit y for HyCyc..................................................................................8-45
Specifying HyCyc ............................................................................................................8-46
Refer ences ...........................................................................................................................8-51
CFuge ..................................................................................................................................8-52
Flowsheet Connect ivit y for CFuge ................................................................................8-52
Specifying CFuge............................................................................................................8-53
Refer ences ...........................................................................................................................8-55
Filt er ...................................................................................................................................8-56
Flowsheet Configur at ion for Filt er ................................................................................8-56
Specifying Filt er .............................................................................................................8-56
Refer ences ...........................................................................................................................8-59
SWash .................................................................................................................................8-61
Flowsheet Connect ivit y for SWash................................................................................8-61
Specifying SWash ...........................................................................................................8-62
CCD.....................................................................................................................................8-64
Flowsheet Connect ivit y for CCD ...................................................................................8-64
Specifying CCD...............................................................................................................8-65
9 User Models
User .......................................................................................................................................9-2
Flowsheet Connect ivit y for User .....................................................................................9-2
Specifying User .................................................................................................................9-3
User 2 .....................................................................................................................................9-4
Flowsheet Connect ivit y for User 2 ...................................................................................9-4
Specifying User 2............................................................................................................... 9-5
10 Pressure Reli ef
Pr es-Relief...........................................................................................................................10-2
Specifying Pr es-Relief ....................................................................................................10-2
Scenar ios .........................................................................................................................10-3
Compliance wit h Codes ..................................................................................................10-6
St r eam and Vessel Composit ions and Condit ions ........................................................10-6
Rules t o Size t he Relief Valve Piping............................................................................10-7
React ions .........................................................................................................................10-9
viii Unit Oper at ion Models
Ver sion 10
Relief Syst em ............................................................................................................... 10-10
Dat a Tables for Pipes and Relief Devices................................................................... 10-12
Valve Cycling ............................................................................................................... 10-16
Vessel Types................................................................................................................. 10-16
Disengagement Models ............................................................................................... 10-18
St op Cr it er ia ................................................................................................................ 10-18
Solut ion Pr ocedur e for Dynamic Scenar ios ................................................................ 10-19
Flow Equat ions ............................................................................................................ 10-20
Calculat ion and Conver gence Met hods ...................................................................... 10-23
Vessel Insulat ion Cr edit Fact or .................................................................................. 10-24
Refer ences ........................................................................................................................ 10-25
A Si zi ng and Rati ng for Trays and Packi ngs
Single-Pass and Mult i-Pass Tr ays.................................................................................. A-2
Modes of Oper at ion for Tr ays ......................................................................................... A-8
Flooding Calculat ions for Tr ays...................................................................................... A-8
Bubble Cap Tr ay Layout ................................................................................................. A-9
Pr essur e Dr op Calculat ions for Tr ays .......................................................................... A-10
Foaming Calculat ions for Tr ays ................................................................................... A-11
Packed Columns ............................................................................................................ A-12
Packing Types and Packing Fact or s............................................................................. A-12
Modes of Oper at ion for Packing.................................................................................... A-12
Maximum Capacit y Calculat ions for Packing ............................................................. A-13
Pr essur e Dr op Calculat ions for Packing ...................................................................... A-15
Liquid Holdup Calculat ions for Packing ...................................................................... A-16
Pr essur e Pr ofile Updat e ................................................................................................ A-17
Physical Pr oper t y Dat a Requir ement s ......................................................................... A-17
Refer ences .......................................................................................................................... A-18
Index
Unit Oper at ion Models ix
Ver sion 10
About the Unit Operation
Models Reference Manual
Volume 1 of t he ASPEN PLUS Refer ence Manuals, Unit Operation Models,
includes det ailed t echnical r efer ence infor mat ion for all ASPEN PLUS unit
oper at ion models and t he Pr es-Relief model. The infor mat ion in t his manual is
also available in online help and pr ompt s.
Models ar e gr ouped in chapt er s accor ding t o unit oper at ion t ype. The r efer ence
infor mat ion for each model includes a descr ipt ion of t he model and it s t ypical
usage, a diagr am of it s flowsheet connect ivit y, a discussion of t he specificat ions
you must pr ovide for t he model, impor t ant equat ions and cor r elat ions, and ot her
r elevant infor mat ion.
An over view of all ASPEN PLUS unit oper at ion models, and gener al infor mat ion
about t he st eps and pr ocedur es in using t hem is in t he ASPEN PLUS User Guide
as well as in t he online help and pr ompt s in ASPEN PLUS.
x Unit Oper at ion Models
Ver sion 10
For More Informati on
Onl i ne Hel p ASPEN PLUS has a complet e syst em of online help and
cont ext -sensit ive pr ompt s. The help syst em cont ains bot h cont ext -sensit ive help
and r efer ence infor mat ion. For mor e infor mat ion about using ASPEN PLUS help,
see t he AS PEN PLUS User Guide, Chapt er 3.
ASPEN PLUS Get t i ng St a r t ed Bui l d i ng a nd Runni ng a Pr ocess Mod el
This t ut or ial includes sever al hands-on sessions t o familiar ize you wit h
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ASPEN PLUS r efer ence ma nua l ser i es ASPEN PLUS r efer ence manuals
pr ovide det ailed t echnical r efer ence infor mat ion. These manuals include
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ASPEN PLUS dat abank par amet er s, gr oup cont r ibut ion met hod funct ional
gr oups, and a wide r ange of ot her r efer ence infor mat ion. The set compr ises:
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• Physical Property Methods and Models
• Physical Property Data
• User Models
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• S ummary File Toolkit
ASPEN PLUS a ppl i ca t i on exa mpl es A suit e of sample online ASPEN PLUS
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• AS PEN PLUS Installation Guide for OpenVMS
• AS PEN PLUS Installation Guide for UNIX
The ASPEN PLUS manuals ar e deliver ed in Adobe por t able document for mat
(PDF) on t he ASPEN PLUS Document at ion CD. You can also or der pr int ed
manuals fr om AspenTech.
Unit Oper at ion Models xi
Ver sion 10
Techni cal Support
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y y y y
xii Unit Oper at ion Models
Ver sion 10
Unit Oper at ion Models 1-1
Ver sion 10
Chapter 1
1 Mixers and Splitters
This chapt er descr ibes t he unit oper at ion models for mixing and split t ing
st r eams. The models ar e:
Model Description Purpose Use For
Mixer Stream mixer Combines multiple streams
into one stream
Mixing tees. Stream mixing operations.
Adding heat streams. Adding work streams
FSplit Stream splitter Divides feed based on splits
specified for outlet streams
Stream splitters. Bleed valves
SSplit Substream splitter Divides feed based on splits
specified for each
substream
Stream splitters. Perfect fluid-solid
separators
1-2 Unit Oper at ion Models
Ver sion 10
Mixers and
Splitters
Mi xer
Stream Mixer
Use Mixer t o combine st r eams int o one st r eam. Mixer models mixing t ees or ot her
t ypes of mixing oper at ions.
Mixer combines mat er ial st r eams (or heat st r eams or wor k st r eams) int o one
st r eam. Select t he Heat (Q) and Wor k (W) Mixer icons fr om t he Model Libr ar y for
heat and wor k st r eams r espect ively. A single Mixer block cannot mix st r eams of
differ ent t ypes (mat er ial, heat , wor k).
Flowsheet Connecti vi ty for Mixer
Material
Water (optional)
Material
(2 or more)
Flowsheet for Mixing Material Streams
Materi al Streams
Inlet At least t wo mat er ial st r eams
Outlet One mat er ial st r eam
One wat er decant st r eam (opt ional)
Unit Oper at ion Models 1-3
Ver sion 10
Chapter 1
Heat
Heat
(2 or more)
Flowsheet for Adding Heat Streams
Heat Streams
Inlet At least t wo heat st r eams
Outlet One heat st r eam
Work
Work
(2 or more)
Flowsheet for Adding Work Streams
Work Streams
Inlet At least t wo wor k st r eams
Outlet One wor k st r eam
Speci fyi ng Mi xer
Use t he Mixer Input Flash Opt ions sheet t o specify oper at ing condit ions.
When mixing heat or wor k st r eams, Mixer does not r equir e any specificat ions.
1-4 Unit Oper at ion Models
Ver sion 10
Mixers and
Splitters
When mixing mat er ial st r eams, you can specify eit her t he out let pr essur e or
pr essur e dr op. If you specify pr essur e dr op, Mixer det er mines t he minimum of
t he inlet st r eam pr essur es, and applies t he pr essur e dr op t o t he minimum inlet
st r eam pr essur e t o comput e t he out let pr essur e. If you do not specify t he out let
pr essur e or pr essur e dr op, Mixer uses t he minimum pr essur e fr om t he inlet
st r eams for t he out let pr essur e.
You can select t he following valid phases:
Valid Phase Solids? Number of phases? Free Water? Phase?
Vapor-Only Yes or no 1 No V
Liquid-Only Yes or no 1 No L
Vapor-Liquid Yes or no 2 No ÷
Vapor-Liquid-Liquid Yes or no 3 No ÷
Liquid Free-Water

Yes or no 1 Yes ÷
Vapor-Liquid Free-Water

Yes or no 2 Yes ÷
Solid-Only Yes 1 No S

Check Use Free Water Calculations checkbox on the S etup S pecifications Global sheet.
An opt ional wat er decant st r eam can be used when fr ee-wat er calculat ions ar e
per for med.
Mixer per for ms an adiabat ic calculat ion on t he pr oduct t o det er mine t he out let
t emper at ur e, unless Mass Balance Only Calculat ions is specified on t he Mixer
BlockOpt ions Simulat ionOpt ions sheet or t he Set up Simulat ionOpt ions
Calculat ions sheet .
Use t he following for ms t o ent er specificat ions and view r esult s for Mixer :
Use this form To do this
Input Enter operating conditions and flash convergence parameters
BlockOptions Override global values for physical properties, simulation options, diagnostic message levels,
and report options for this block
Results View Mixer simulation results
Dynamic Specify parameters for dynamic simulations
Unit Oper at ion Models 1-5
Ver sion 10
Chapter 1
FSpli t
Stream Splitter
FSplit combines st r eams of t he same t ype (mat er ial, heat , or wor k st r eams) and
divides t he r esult ing st r eam int o t wo or mor e st r eams of t he same t ype. All out let
st r eams have t he same composit ion and condit ions as t he mixed inlet . Select t he
Heat (Q) and Wor k (W) FSplit icons fr om t he Model Libr ar y for heat and wor k
st r eams r espect ively. Use FSplit t o model flow split t er s, such as bleed valves.
FSplit cannot split a st r eam int o differ ent t ypes. For example, FSplit cannot split
a mat er ial st r eam int o a heat st r eam and a mat er ial st r eam.
To model a split t er wher e t he amount of each subst r eam sent t o each out let can
differ , use an SSplit block. To model a split t er wher e t he composit ion and
pr oper t ies of t he out put st r eams can differ , use a Sep block or a Sep2 block.
Flowsheet Connecti vi ty for FSpli t
Material
(2 or more)
Material
(any number)
Flowsheet for Splitting Material Streams
Material Streams
Inlet At least one mat er ial st r eam
Outlet At least t wo mat er ial st r eams
1-6 Unit Oper at ion Models
Ver sion 10
Mixers and
Splitters
Heat
(2 or more) Heat
(any number)
Flowsheet for Splitting Heat Streams
Heat Streams
Inlet At least one heat st r eam
Outlet At least t wo heat st r eams
Work
(2 or more) Work
(any number)
Flowsheet for Splitting Work Streams
Work Streams
Inlet At least one wor k st r eam
Outlet At least t wo wor k st r eams
Speci fyi ng FSpli t
To spl i t ma t er i a l st r ea ms Give one of t he following specificat ions for each
out let st r eam except one:
• Fr act ion of t he combined inlet flow
• Mole flow r at e
• Mass flow r at e
• St andar d liquid volume flow r at e
• Act ual volume flow r at e
• Fr act ion of t he r esidue r emaining aft er all ot her specificat ions ar e sat isfied
FSplit put s any r emaining flow in t he unspecified out let st r eam t o sat isfy mat er ial
balance. You can specify mole, mass, or st andar d liquid volume flow r at e for one of
t he following:
• The ent ir e st r eam
• A subset of key component s in t he st r eam
Unit Oper at ion Models 1-7
Ver sion 10
Chapter 1
To specify t he flow r at e of a component or gr oup of component s in an out let st r eam,
specify a gr oup of key component s and t he t ot al flow r at e for t he gr oup (t he sum of
t he component flow r at es) on t he Input Specificat ions sheet , and define t he key
component s in t he gr oup on t he Input KeyComponent s sheet .
Out let st r eams have t he same composit ion as t he mixed inlet st r eam. For t his
r eason, when you specify t he flow r at e of a key component , t he t ot al flow r at e of
t he out let st r eam is gr eat er t han t he flow r at e you specify.
When FSplit has mor e t han one inlet , you can do one of t he following:
• Ent er t he out let pr essur e on t he FSplit Input FlashOpt ions sheet
• Let t he out let pr essur e default t o t he minimum pr essur e of t he inlet st r eams
To spl i t hea t st r ea ms or wor k st r ea ms Specify t he fr act ion of t he combined
inlet heat or wor k for each out let st r eam except one. FSplit put s any r emaining
heat or wor k in t he unspecified out let st r eam t o sat isfy ener gy balance.
Use t he following for ms t o ent er specificat ions and view r esult s for FSplit :
Use this form To do this
Input Enter split specifications, flash conditions and calculation options, and key
components associated with split specifications
BlockOptions Override global values for physical properties, simulation options,
diagnostic message levels, and report options for this block
Results View split fractions for outlet streams, and material and energy balance
results
1-8 Unit Oper at ion Models
Ver sion 10
Mixers and
Splitters
SSpli t
Substream Spli tter
SSplit combines mat er ial st r eams and divides t he r esult ing st r eam int o t wo or
mor e st r eams. Use SSplit t o model a split t er wher e t he split of each subst r eam
among t he out let st r eams can differ .
Subst r eams in t he out let st r eams have t he same composit ion, t emper at ur e, and
pr essur e as t he cor r esponding subst r eams in t he mixed inlet st r eam. Only t he
subst r eam flow r at es differ . To model a split t er in which t he composit ion and
pr oper t ies of t he subst r eams in t he out put st r eams can differ , use a Sep block or
a Sep2 block.
Flowsheet Connecti vi ty for SSpli t
Material
(2 or more)
Material
(any number)
Material Streams
Inlet At least one mat er ial st r eam
Outlet At least t wo mat er ial st r eams
Speci fyi ng SSpli t
For each subst r eam, specify one of t he following for all but one out let st r eam:
• Fr act ion of t he inlet subst r eam
• Mole flow r at e
• Mass flow r at e
• St andar d liquid volume flow r at e
SSplit put s any r emaining flow for each subst r eam in t he unspecified st r eam.
You cannot specify st andar d liquid volume flow r at e when t he subst r eam is of
t ype CISOLID, and mole and st andar d liquid volume flow r at es when t he
subst r eam is of t ype NC.
Unit Oper at ion Models 1-9
Ver sion 10
Chapter 1
You can specify mole or mass flow r at e for one of t he following:
• The ent ir e subst r eam
• A subset of component s in t he subst r eam
You can specify t he flow r at e of a component in a subst r eam of an out let st r eam. To
do t his, define a key component and specify t he flow r at e for t he key component .
Similar ly, you can specify t he flow r at e for a gr oup of component s in a subst r eam of
an out let st r eam. To do t his, define a key gr oup of component s and specify t he t ot al
flow r at e for t he gr oup (t he sum of t he component flow r at es).
Subst r eams in out let st r eams have t he same composit ion as t he cor r esponding
subst r eam in t he mixed inlet st r eam. For t his r eason, when you specify t he flow
r at e of a key, t he t ot al flow r at e of t he subst r eam in t he out let st r eam is gr eat er
t han t he flow r at e you specify.
When SSplit has mor e t han one inlet , you can do one of t he following:
• Ent er t he out let pr essur e on t he Input FlashOpt ions sheet .
• Let t he out let pr essur e default t o t he minimum pr essur e of t he inlet st r eams.
The composit ion, t emper at ur e, pr essur e, and ot her subst r eam var iables for all
out let st r eams have t he same values as t he mixed inlet . Only t he subst r eam flow
r at es differ .
Use t he following for ms t o ent er specificat ions and view r esult s for SSplit :
Use this form To do this
Input Enter split specifications, flash conditions, calculation options, and key components
associated with split specifications
BlockOptions Override global values for physical properties, simulation options, diagnostic message
levels, and report options for this block
Results View split fractions of each substream in each outlet stream, and material and energy
balance results
y y y y
1-10 Unit Oper at ion Models
Ver sion 10
Mixers and
Splitters
Unit Oper at ion Models 2-1
Ver sion 10
Chapter 2
2 Separators
This chapt er descr ibes t he unit oper at ion models for component separ at or s, flash
dr ums, and liquid-liquid separ at or s. The models ar e:
Model Description Purpose Use For
Flash2 Two-outlet flash Separates feed into two outlet
streams, using rigorous vapor-
liquid or vapor-liquid-liquid
equilibrium
Flash drums, evaporators, knock-out
drums, single stage separators
Flash3 Three-outlet flash Separates feed into three
outlet streams, using rigorous
vapor-liquid-liquid equilibrium
Decanters, single-stage separators with
two liquid phases
Decanter Liquid-liquid decanter Separates feed into two liquid
outlet streams
Decanters, single-stage separators with
two liquid phases and no vapor phase
Sep Component separator Separates inlet stream
components into multiple outlet
streams, based on specified
flows or split frractions
Component separation operations, such
as distillation and absorption, when the
details of the separation are unknown or
unimportant
Sep2 Two-outlet component
separator
Separates inlet stream
components into two outlet
streams, based on specified
flows, split fractions, or purities
Component separation operations, such
as distillation and absorption, when the
details of the separation are unknown or
unimportant
You can gener at e heat ing or cooling cur ve t ables for Flash2, Flash3, and
Decant er models.
2-2 Unit Oper at ion Models
Ver sion 10
Separators
Flash2
Two-Outlet Flash
Use Flash2 t o model flashes, evapor at or s, knock-out dr ums, and ot her single-
st age separ at or s. Flash2 per for ms vapor -liquid or vapor -liquid-liquid equilibr ium
calculat ions. When you specify t he out let condit ions, Flash2 det er mines t he
t her mal and phase condit ions of a mixt ur e of one or mor e inlet st r eams.
Flowsheet Connecti vi ty for Flash2
Vapor
Liquid
Water (optional)
Heat (optional)
Heat
(optional)
Material
(any number)
Materi al Streams
Inlet At least one mat er ial st r eam
Outlet One mat er ial st r eam for t he vapor phase
One mat er ial st r eam for t he liquid phase. (If t hr ee phases exist , t he liquid
out let cont ains bot h liquid phases.)
One wat er decant st r eam (opt ional)
You can specify liquid and/or solid ent r ainment in t he vapor st r eam.
Unit Oper at ion Models 2-3
Ver sion 10
Chapter 2
Heat Streams
Inlet Any number of heat st r eams (opt ional)
Outlet One heat st r eam (opt ional)
If you give only one specificat ion (t emper at ur e or pr essur e) on t he Input
Specificat ions Sheet , Flash2 uses t he sum of t he inlet heat st r eams as a dut y
specificat ion. Ot her wise, Flash2 uses t he inlet heat st r eam only t o calculat e t he
net heat dut y. The net heat dut y is t he sum of t he inlet heat st r eams minus t he
act ual (calculat ed) heat dut y.
You can use an opt ional out let heat st r eam for t he net heat dut y.
Speci fyi ng Flash2
Use t he Input Specificat ions sheet for all r equir ed specificat ions and valid
phases. For valid phases you can choose t he following opt ions:
You can choose the following
options Solids? Number of phases? Free Water?
Vapor-Liquid Yes or no 2 No
Vapor-Liquid-Liquid Yes or no 3 No
Vapor-Liquid-FreeWater Yes or no 2 Yes
Use t he Input FlashOpt ions sheet t o specify t emper at ur e and pr essur e est imat es
and flash conver gence par amet er s.
Use t he Input Ent r ainment sheet t o specify liquid and solid ent r ainment in t he
vapor phase.
Use t he Hcur ves for m t o specify opt ional heat ing or cooling cur ves.
Use t he following for ms t o ent er specificat ions and view r esult s for Flash2:
Use this form To do this
Input Enter flash specifications, flash convergence parameters, and entrainment specifications
Hcurves Specify heating or cooling curve tables and view tabular results
Block Options Override global values for physical properties, simulation options, diagnostic message
levels, and report options for this block
Results View Flash2 simulation results
Dynamic Specify parameters for dynamic simulations
2-4 Unit Oper at ion Models
Ver sion 10
Separators
Soli ds
All phases ar e in t her mal equilibr ium. Solids leave at t he same t emper at ur e as
t he fluid phases.
Flash2 can simulat e fluid phases wit h solids when t he st r eam cont ains solid
subst r eams or when you r equest elect r olyt es chemist r y calculat ions.
Sol i d Subst r ea ms Mat er ials in solid subst r eams do not par t icipat e in phase
equilibr ium calculat ions.
El ect r ol yt e Chemi st r y Ca l cul a t i ons You can r equest t hese on t he Pr oper t ies
Specificat ions Global sheet or t he BlockOpt ions Pr oper t ies sheet . Solid salt s
par t icipat e in liquid-solid phase equilibr ium and t her mal equilibr ium
calculat ions. The salt s ar e in t he MIXED subst r eam.
Unit Oper at ion Models 2-5
Ver sion 10
Chapter 2
Flash3
Three-Outlet Flash
Use Flash3 t o model flashes, evapor at or s, knock-out dr ums, decant er s, and ot her
single-st age separ at or s in which t wo liquid out let st r eams ar e pr oduced. Flash3
per for ms vapor -liquid-liquid equilibr ium calculat ions. When you specify out let
condit ions, Flash3 det er mines t he t her mal and phase condit ions of a mixt ur e of
one or mor e inlet st r eams.
Flowsheet Connecti vi ty for Flash3
Vapor
2nd Liquid
1st Liquid
Heat (optional)
Heat
(optional)
Material
(any number)
Materi al Streams
Inlet At least one mat er ial st r eam
Outlet One mat er ial st r eam for t he vapor phase
One mat er ial st r eam for t he fir st liquid phase
One mat er ial st r eam for t he second liquid phase
You can specify liquid ent r ainment of each liquid phase in t he vapor st r eam. You
can also specify ent r ainment for each solid subst r eam in t he vapor and fir st
liquid phase.
2-6 Unit Oper at ion Models
Ver sion 10
Separators
Heat Streams
Inlet Any number of heat st r eams (opt ional)
Outlet One heat st r eam (opt ional)
If you give only one specificat ion on t he Input Specificat ions Sheet (t emper at ur e
or pr essur e), Flash3 uses t he sum of t he inlet heat st r eams as a dut y
specificat ion. Ot her wise, Flash3 uses t he inlet heat st r eam only t o calculat e t he
net heat dut y. The net heat dut y is t he sum of t he inlet heat st r eams minus t he
act ual (calculat ed) heat dut y.
You can use an opt ional out let heat st r eam for t he net heat dut y.
Speci fyi ng Flash3
Use t he Input Specificat ions sheet for all r equir ed specificat ions.
Use t he Input Ent r ainment sheet t o specify solid ent r ainment .
To specify opt ional heat ing or cooling cur ves, use t he Hcur ves for m.
Use t he following for ms t o ent er specificat ions and view r esult s for Flash3:
Use this form To do this
Input Enter flash specifications, key components, flash convergence parameters, and
entrainment specifications
Hcurves Specify heating or cooling curve tables and view tabular results
Block Options Override global values for physical properties, simulation options, diagnostic
message levels, and report options for this block
Results View Flash3 simulation results
Dynamic Specify parameters for dynamic simulations
Soli ds
All phases ar e in t her mal equilibr ium. Solids leave at t he same t emper at ur e as
t he fluid phases.
Flash3 can simulat e fluid phases wit h solids when t he st r eam cont ains solid
subst r eams, or when you r equest elect r olyt e chemist r y calculat ions.
Sol i d Subst r ea ms Mat er ials in solid subst r eams do not par t icipat e in phase
equilibr ium calculat ions.
Unit Oper at ion Models 2-7
Ver sion 10
Chapter 2
El ect r ol yt e Chemi st r y Ca l cul a t i ons You can r equest t hese on t he Pr oper t ies
Specificat ions Global sheet or on t he Input BlockOpt ions Pr oper t ies sheet . Solid
salt s do par t icipat e in liquid-solid phase equilibr ium and t her mal equilibr ium
calculat ions. You can only specify appar ent component calculat ions (Select
Simulat ion Appr oach=Appar ent Component s on t he BlockOpt ions Pr oper t ies
sheet ). The salt s will not appear in t he MIXED subst r eam.
2-8 Unit Oper at ion Models
Ver sion 10
Separators
Decanter
Liquid-Liquid Decanter
Decant er simulat es decant er s and ot her single st age separ at or s wit hout a vapor
phase. Decant er can per for m:
• Liquid-liquid equilibr ium calculat ions
• Liquid-fr ee-wat er calculat ions
Use Decant er t o model knock-out dr ums, decant er s, and ot her single-st age
separ at or s wit hout a vapor phase. When you specify out let condit ions, Decant er
det er mines t he t her mal and phase condit ions of a mixt ur e of one or mor e inlet
st r eams.
Decant er can calculat e liquid-liquid dist r ibut ion coefficient s using:
• An act ivit y coefficient model
• An equat ion of st at e capable of r epr esent ing t wo liquid phases
• A user -specified For t r an subr out ine
• A built -in cor r elat ion wit h user -specified coefficient s
You can ent er component separ at ion efficiencies, assuming equilibr ium st age is
pr esent .
Use Flash3 if you suspect any vapor phase for mat ion.
Flowsheet Connecti vi ty for Decanter
Heat
(optional)
Heat
(optional)
1st Liquid
2nd Liquid
Material
(any number)
Materi al Streams
Inlet At least one mat er ial st r eam
Outlet One mat er ial st r eam for t he fir st liquid phase
One mat er ial st r eam for t he second liquid phase
You can specify ent r ainment for each solid subst r eam in t he fir st liquid phase.
Unit Oper at ion Models 2-9
Ver sion 10
Chapter 2
Heat Streams
Inlet Any number of heat st r eams (opt ional)
Outlet One heat st r eam (opt ional)
If you specify only pr essur e on t he Input Specificat ions sheet , Decant er uses t he
sum of t he inlet heat st r eams as a dut y specificat ion. Ot her wise, Decant er uses
t he inlet heat st r eam only t o calculat e t he net heat dut y. The net heat dut y is t he
sum of t he inlet heat st r eams minus t he act ual (calculat ed) heat dut y.
You can use an opt ional out let heat st r eam for t he net heat dut y.
Speci fyi ng Decanter
You can oper at e Decant er in one of t he following ways:
• Adiabat ically
• Wit h specified dut y
• At a specified t emper at ur e
Use t he Input Specificat ions sheet t o ent er :
• Pr essur e
• Temper at ur e or dut y
Use t he following for ms t o ent er specificat ions and view r esult s for Decant er :
Use this form To do this
Input Specify operating conditions, key components, calculation options, valid phases,
efficiency, and entrainment
Properties Specify and/or override property methods, KLL equation parameters, and/or user
subroutine for phase split calculations
Hcurves Specify heating or cooling curve tables and view tabular results
Block Options Override global values for physical properties, simulation options, diagnostic
message levels, and report options for this block
Results Display simulation results
Dynamic Specify parameters for dynamic simulations
2-10 Unit Oper at ion Models
Ver sion 10
Separators
Defi ni ng the Second Li qui d Phase
If t wo liquid phases ar e pr esent at t he decant er oper at ing condit ion, Decant er
t r eat s t he phase wit h higher densit y as t he second phase, by default .
When only one liquid phase exist s and you want t o avoid ambiguit ies, you can
over r ide t he default by:
• Specifying key component s for ident ifying t he second liquid phase on t he
Input Specificat ions sheet
• Opt ionally specifying t he t hr eshold key component mole fr act ion on t he Input
Specificat ions sheet
When Decanter treats the
Two liquid phases are present Phase with the higher mole fraction of key components as the second liquid phase
One liquid phase is present Liquid phase as the first liquid phase, unless the mole fraction of key components exceeds
the threshold value
Methods for Calculati ng the Li qui d-Li qui d Di stri buti on
Coeffi ci ents (KLL)
When calculat ing liquid-liquid dist r ibut ion coefficient s (KLL), by default
Decant er uses t he physical pr oper t y met hod specified for t he block on t he
Pr oper t ies PhasePr oper t y sheet or BlockOpt ions Pr oper t ies sheet .
On t he Input Calculat ionOpt ions sheet , you can over r ide t he default by doing one
of t he following:
• Specify separ at e pr oper t y met hods for t he t wo liquid phases using t he
Pr oper t ies PhasePr oper t y sheet
• Use a built -in KLL cor r elat ion. Ent er cor r elat ion coefficient s on t he
Pr oper t ies KLLCor r elat ion sheet .
• Use a For t r an subr out ine t hat you specify on t he Pr oper t ies KLLSubr out ine
sheet
See AS PEN PLUS User Models for mor e infor mat ion about wr it ing For t r an
subr out ines.
Phase Spli tti ng
Decant er has t wo met hods for solving liquid-liquid phase split calculat ions:
• Equat ing fugacit ies of t wo liquid phases
• Minimizing Gibbs fr ee ener gy of t he syst em
You can select a met hod on t he Input Calculat ionOpt ions sheet .
Unit Oper at ion Models 2-11
Ver sion 10
Chapter 2
If you select Minimizing Gibbs fr ee ener gy of t he syst em, t he following must be
t her modynamically consist ent :
• Physical pr oper t y models
• Block pr oper t y met hod
You cannot use t he Minimizing Gibbs fr ee ener gy of t he syst em met hod when:
You specify On this sheet
Separate property methods for the two liquid
phases
Properties PhaseProperty
The built-in correlation for liquid-liquid
distribution coefficient ( KLL) calculations
Input CalculationOptions
A user subroutine for liquid-liquid distribution
coefficient (KLL) calculations
Input Calculation Options
Equat ing fugacit ies of t wo liquid phases is not r est r ict ed by physical pr oper t y
specificat ions. However , Decant er can calculat e solut ions t hat do not minimize
Gibbs fr ee ener gy.
Effi ci ency
Decant er out let st r eams ar e nor mally at equilibr ium. However , you can specify
separ at ion efficiencies on t he Input Efficiency sheet t o account for depar t ur e fr om
equilibr ium. If you select Liquid-Fr eeWat er for Valid Phases on t he Input
Calculat ionOpt ions sheet , you cannot specify separ at ion efficiencies.
Soli ds Entrai nment
If solids subst r eams ar e pr esent , t hey do not par t icipat e in phase equilibr ium
calculat ions, but t hey do par t icipat e in ent halpy balance. You can use t he Input
Ent r ainment sheet t o specify solids ent r ainment in t he fir st liquid out let st r eam.
Decant er places any r emaining solids in t he second liquid out let st r eam.
2-12 Unit Oper at ion Models
Ver sion 10
Separators
Sep
Component Separator
Sep combines st r eams and separ at es t he r esult int o t wo or mor e st r eams
accor ding t o split s specified for each component . When t he det ails of t he
separ at ion ar e unknown or unimpor t ant , but t he split s for each component ar e
known, you can use Sep in place of a r igor ous separ at ion model t o save
comput at ion t ime .
If t he composit ion and condit ions of all out let st r eams of t he block you ar e
modeling ar e ident ical, you can use an FSplit block inst ead of Sep.
Flowsheet Connecti vi ty for Sep
Heat
(optional)
Material
(2 or more)
Material
(any number)
Materi al Streams
Inlet At least one mat er ial st r eam
Outlet At least t wo mat er ial st r eams
Heat Streams
Inlet No inlet heat st r eams
Outlet One st r eam for t he ent halpy differ ence bet ween inlet and out let mat er ial
st r eams (opt ional)
Unit Oper at ion Models 2-13
Ver sion 10
Chapter 2
Speci fyi ng Sep
For each subst r eam of each out let st r eam except one, use t he Sep Input
Specificat ions sheet t o specify one of t he following for each component pr esent :
• Fr act ion of t he component in t he cor r esponding inlet subst r eam
• Mole flow r at e of t he component
• Mass flow r at e of t he component
• St andar d liquid volume flow r at e of t he component
Sep put s any r emaining flow in t he cor r esponding subst r eam of t he unspecified
out let st r eam.
Use t he following for ms t o ent er specificat ions and view r esult s for Sep:
Use this form To do this
Input Enter split specifications, flash specifications, and convergence parameters for the mixed inlet
and each outlet stream
BlockOptions Override global values for physical properties, simulation options, diagnostic message levels,
and report options for this block
Results View Sep simulation results
Inlet Pressure
Use t he Sep Input Feed Flash sheet t o specify eit her t he pr essur e dr op or t he
pr essur e at t he inlet . This is useful when Sep has mor e t han one inlet st r eam. The
inlet pr essur e default s t o t he minimum inlet st r eam pr essur e.
Outlet Stream Conditions
Use t he Sep Input Out let Flash sheet t o specify t he condit ions of t he out let
st r eams. If you do not specify t he condit ions for a st r eam, Sep uses t he inlet
t emper at ur e and pr essur e.
2-14 Unit Oper at ion Models
Ver sion 10
Separators
Sep2
Two-Outlet Component Separator
Sep2 separ at es inlet st r eam component s int o t wo out let st r eams. Sep2 is similar t o
Sep, but offer s a wider var iet y of specificat ions. Sep2 allows pur it y (mole-fr act ion)
specificat ions for component s.
You can use Sep2 in place of a r igor ous separ at ion model, such as dist illat ion or
absor pt ion. Sep2 saves comput at ion t ime when det ails of t he separ at ion ar e
unknown or unimpor t ant .
If t he composit ion and condit ions of all out let st r eams of t he block you ar e
modeling ar e ident ical, you can use FSplit inst ead of Sep2.
Flowsheet Connecti vi ty for Sep2
Material
Material
Heat
(optional)
Material
(any number)
Materi al Streams
Inlet At least one mat er ial st r eam
Outlet Two mat er ial st r eams
Heat Streams
Inlet No inlet heat st r eams
Outlet One st r eam for t he ent halpy differ ence bet ween inlet and out let mat er ial
st r eams (opt ional)
Unit Oper at ion Models 2-15
Ver sion 10
Chapter 2
Speci fyi ng Sep2
Use t he Input Specificat ions sheet t o specify st r eam and/or component fr act ions
and flows. The number of specificat ions for each subst r eam must equal t he
number of component s in t hat subst r eam.
You can ent er t hese st r eam specificat ions:
• Fr act ion of t he t ot al inlet st r eam going t o eit her out let st r eam
• Tot al mass flow r at e of an out let st r eam
• Tot al molar flow r at e of an out let st r eam (for subst r eams of t ype MIXED or
CISOLID)
• Tot al st andar d liquid volume flow r at e of an out let st r eam (for subst r eams of
t ype MIXED)
You can ent er t hese component specificat ions:
• Fr act ion of a component in t he feed going t o eit her out let st r eam
• Mass flow r at e of a component in an out let st r eam
• Molar flow r at e of a component in an out let st r eam (for subst r eams of t ype
MIXED or CISOLID)
• St andar d liquid volume flow r at e of a component in an out let st r eam (for
subst r eams of t ype MIXED)
• Mass fr act ion of a component in an out let st r eam
• Mole fr act ion of a component in an out let st r eam (for subst r eams of t ype
MIXED or CISOLID)
Sep2 t r eat s each subst r eam separ at ely. Do not :
• Specify t he t ot al flow of bot h out let st r eams
• Ent er mor e t han one flow or fr ac specificat ion for each component
• Ent er bot h a mole-fr ac and a mass-fr ac specificat ion for a component in a
st r eam
Use t he following for ms t o ent er specificat ions and view r esult s for Sep2:
Use this form To do this
Input Enter split specifications, flash specifications, and convergence parameters for the mixed inlet
and each outlet stream
Block Options Override global values for physical properties, simulation options, diagnostic message levels,
and report options for this block
Results View Sep2 simulation results
2-16 Unit Oper at ion Models
Ver sion 10
Separators
Inlet Pressure
Use t he Input Feed Flash sheet t o specify eit her t he pr essur e dr op or pr essur e at
t he inlet . This infor mat ion is useful when Sep2 has mor e t han one inlet st r eam.
The inlet pr essur e default s t o t he minimum of t he inlet st r eam pr essur es.
Outlet Stream Conditions
Use t he Input Out let Flash sheet t o specify t he condit ions of t he out let st r eams.
If you do not specify t he condit ions for a st r eam, Sep2 uses t he inlet t emper at ur e
and pr essur e.
y y y y
Unit Oper at ion Models 3-1
Ver sion 10
Chapter 3
3 Heat Exchangers
This chapt er descr ibes t he unit oper at ion models for heat exchanger s and heat er s
(and cooler s), and for int er facing t o t he B-J AC heat exchanger pr ogr ams. The
models ar e:
Model Description Purpose Use For
Heater Heater or cooler Determines thermal and phase
conditions of outlet stream
Heaters, coolers, condensers, and so on
HeatX Two-stream heat exchanger Exchanges heat between two
streams
Two-stream heat exchangers. Rating
shell and tube heat exchangers when
geometry is known.
MHeatX Multistream heat exchanger Exchanges heat between any
number of streams
Multiple hot and cold stream heat
exchangers. Two-stream heat
exchangers. LNG exchangers.
Hetran Shell and tube heat
exchanger
Provides interface to the
B-JAC Hetran shell and tube
heat exchanger program
Shell and tube heat exchangers,
including kettle reboilers
Aerotran Air-cooled heat exchanger Provides interface to the
B-JAC Aerotran air-cooled heat
exchanger program
Crossflow heat exchangers, including air
coolers
3-2 Unit Oper at ion Models
Ver sion 10
Heat
Exchangers
Heater
Heater/Cooler
You can use Heat er t o r epr esent :
• Heat er s
• Cooler s
• Valves
• Pumps (whenever wor k-r elat ed r esult s ar e not needed)
• Compr essor s (whenever wor k-r elat ed r esult s ar e not needed)
You also can use Heat er t o set t he t her modynamic condit ion of a st r eam.
When you specify t he out let condit ions, Heat er det er mines t he t her mal and
phase condit ions of a mixt ur e wit h one or mor e inlet st r eams.
Flowsheet Connecti vi ty for Heater
Heat (optional)
Material
Material
(any number)
Heat
(optional)
Water (optional)
Materi al Streams
Inlet At least one mat er ial st r eam
Outlet One mat er ial st r eam
One wat er decant st r eam (opt ional)
Heat Streams
Inlet Any number of heat st r eams (opt ional)
Outlet One heat st r eam (opt ional)
Unit Oper at ion Models 3-3
Ver sion 10
Chapter 3
If you give only one specificat ion (t emper at ur e or pr essur e) on t he Specificat ions
sheet , Heat er uses t he sum of t he inlet heat st r eams as a dut y specificat ion.
Ot her wise, Heat er uses t he inlet heat st r eam only t o calculat e t he net heat dut y.
The net heat dut y is t he sum of t he inlet heat st r eams minus t he act ual
(calculat ed) heat dut y.
You can use an opt ional out let heat st r eam for t he net heat dut y.
Speci fyi ng Heater
Use t he Heat er Input Specificat ions sheet for all r equir ed specificat ions and valid
phases.
Dew point calculat ions ar e t wo- or t hr ee-phase flashes wit h a vapor fr act ion of
unit y.
Bubble point calculat ions ar e t wo- or t hr ee-phase flashes wit h a vapor fr act ion of
zer o.
Use t he Heat er Input FlashOpt ions sheet t o specify t emper at ur e and pr essur e
est imat es and flash conver gence par amet er s.
Use t he Hcur ves for m t o specify opt ional heat ing or cooling cur ves.
This model has no dynamic feat ur es. The pr essur e dr op is fixed at t he st eady
st at e value. The out let flow is det er mined by t he mass balance.
Use t he following for ms t o ent er specificat ions and view r esult s for Heat er .
Use this form To do this
Input Enter operating conditions and flash convergence parameters
Hcurves Specify heating or cooling curve tables and view tabular results
Block Options Override global values for physical properties, simulation options, diagnostic
message levels, and report options for this block
Results View Heater results
3-4 Unit Oper at ion Models
Ver sion 10
Heat
Exchangers
Soli ds
Heat er can simulat e fluid phases wit h solids when t he st r eam cont ains solid
subst r eams or when you r equest elect r olyt e chemist r y calculat ions.
All phases ar e in t her mal equilibr ium. Solids leave at t he same t emper at ur e as
fluid phases.
Sol i d Subst r ea ms Mat er ials in solid subst r eams do not par t icipat e in phase
equilibr ium calculat ions.
El ect r ol yt e Chemi st r y Ca l cul a t i ons You can r equest t hese on t he Pr oper t ies
Specificat ions Global sheet or t he Heat er BlockOpt ions Pr oper t ies sheet . Solid
salt s par t icipat e in liquid-solid phase equilibr ium and t her mal equilibr ium
calculat ions. The salt s ar e in t he MIXED subst r eam.
Unit Oper at ion Models 3-5
Ver sion 10
Chapter 3
HeatX
Two-Stream Heat Exchanger
Heat X can model a wide var iet y of shell and t ube heat exchanger t ypes including:
• Count er cur r ent and cocur r ent
• Segment al baffle TEMA E, F, G, H, J , and X shells
• Rod baffle TEMA E and F shells
• Bar e and low-finned t ubes
Heat X can per for m a full zone analysis wit h heat t r ansfer coefficient and
pr essur e dr op est imat ion for single- and t wo-phase st r eams. For r igor ous heat
t r ansfer and pr essur e dr op calculat ions, you must supply t he exchanger
geomet r y.
If exchanger geomet r y is unknown or unimpor t ant , Heat X can per for m simplified
shor t cut r at ing calculat ions. For example, you may want t o per for m only heat
and mat er ial balance calculat ions.
Heat X has cor r elat ions t o est imat e sensible heat , nucleat e boiling, and
condensat ion film coefficient s.
Heat X cannot :
• Per for m design calculat ions
• Per for m mechanical vibr at ion analysis
• Est imat e fouling fact or s
Flowsheet Connecti vi ty for HeatX
Cold Outlet
Water (optional)
Hot Outlet
Water
(optional)
Hot
Inlet
Cold Inlet
3-6 Unit Oper at ion Models
Ver sion 10
Heat
Exchangers
Materi al Streams
Inlet One hot inlet
One cold inlet
Outlet One hot out let
One cold out let
One wat er decant st r eam on t he hot side (opt ional)
One wat er decant st r eam on t he cold side (opt ional)
Speci fyi ng HeatX
Consider t hese quest ions when specifying Heat X:
• Should r at ing calculat ions be simple (shor t cut ) or r igor ous?
• What specificat ion should t he block have?
• How should t he log-mean t emper at ur e differ ence cor r ect ion fact or be
calculat ed?
• How should t he heat t r ansfer coefficient be calculat ed?
• How should t he pr essur e dr ops be calculat ed?
• What equipment specificat ions and geomet r y infor mat ion ar e available?
The answer s t o t hese quest ions det er mine t he amount of infor mat ion r equir ed t o
complet e t he block input . You must pr ovide one of t he following specificat ions:
• Heat exchanger ar ea or geomet r y
• Exchanger heat dut y
• Out let t emper at ur e of t he hot or cold st r eam
• Temper at ur e appr oach at eit her end of t he exchanger
• Degr ees of super heat ing/subcooling for t he hot or cold st r eam
• Vapor fr act ion of t he hot or cold st r eam
• Temper at ur e change of t he hot or cold st r eam
Use t he following for ms t o ent er specificat ions and view r esult s for Heat X:
Use this form To do this
Setup Specify shortcut or detailed calculations, flow direction, exchanger pressure drops, heat transfer
coefficient calculation methods, and film coefficients
Options Specify different flash convergence parameters and valid phases for the hot and cold sides, HeatX
convergence parameters, and block-specific report option
Geometry Specify the shell and tube configuration and indicate any tube fins, baffles, or nozzles
UserSubroutines Specify parameters for user-defined Fortran subroutines to calculate overall heat transfer coefficient,
LMTD correction factor, tube-side liquid holdup, or tube-side pressure drop
Hot-Hcurves Specify hot stream heating or cooling curve tables and view tabular results
continued
Unit Oper at ion Models 3-7
Ver sion 10
Chapter 3
Use this form To do this
Cold-Hcurves Specify cold stream heating or cooling curve tables and view tabular results
BlockOptions Override global values for physical properties, simulation options, diagnostic message
levels, and report options for this block
Results View a summary of results, mass and energy balances, pressure drops, velocities, and
zone analysis
Detailed Results View detailed shell and tube results, and information about tube fins, baffles, and
nozzles
Dynamic Specify parameters for dynamic simulations
Shortcut Versus Ri gorous Rati ng Calculati ons
Heat X has t wo r at ing modes: shor t cut and r igor ous. Use t he Calculat ion Type
field on t he Set up Specificat ions sheet t o specify shor t cut or r igor ous r at ing
calculat ions.
In shor t cut r at ing mode you can simulat e a heat exchanger block wit h t he
minimum amount of r equir ed input . The shor t cut calculat ion does not r equir e
exchanger configur at ion or geomet r y dat a.
For r igor ous r at ing mode, you can use exchanger geomet r y t o est imat e:
• Film coefficient s
• Pr essur e dr ops
• Log-mean t emper at ur e differ ence cor r ect ion fact or
Rigor ous r at ing mode pr ovides mor e specificat ion opt ions for Heat X, but it also
r equir es mor e input .
Rigor ous r at ing mode pr ovides default s for many opt ions. You can change t he
default s t o gain complet e cont r ol over t he calculat ions. The following t able list s
t hese opt ions wit h valid values. The values ar e descr ibed in t he following
sect ions.
3-8 Unit Oper at ion Models
Ver sion 10
Heat
Exchangers
Variable Calculation Method
Available in
Shortcut Mode
Available in
Rigorous Mode
LMTD Correction
Factor
Constant
Geometry
User subroutine
Default
No
No
Yes
Default
Yes
Heat Transfer
Coefficient
Constant value
Phase-specific values
Power law expression
Film coefficients
Exchanger geometry
User subroutine
Yes
Default
Yes
No
No
No
Yes
Yes
Yes
Yes
Default
Yes
Film Coefficient Constant value
Phase-specific values
Power law expression
Calculate from geometry
No
No
No
No
Yes
Yes
Yes
Default
Pressure Drop Outlet pressure
Calculate from geometry
Default
No
Yes
Default
Calculati ng the Log-Mean Temperature Di fference
Correcti on Factor
The st andar d equat ion for a heat exchanger is:
Q U A LMTD · ⋅ ⋅
wher e LMTD is t he log-mean t emper at ur e differ ence. This equat ion applies for
exchanger s wit h pur e count er cur r ent flow.
The mor e gener al equat ion is:
Q U A F LMTD · ⋅ ⋅ ⋅
wher e t he LMTD cor r ect ion fact or , F, account s for deviat ion fr om count er cur r ent
flow.
Use t he LMTD Cor r ect ion Fact or field on t he Set up Specificat ions sheet t o ent er
t he LMTD cor r ect ion fact or .
Unit Oper at ion Models 3-9
Ver sion 10
Chapter 3
In shor t cut r at ing mode, t he LMTD cor r ect ion fact or is const ant . In r igor ous
r at ing mode, use t he LMTD Cor r ect ion Met hod field on t he Set up Specificat ions
sheet t o specify how Heat X calculat es t he LMTD cor r ect ion fact or . You can
choose fr om t he following calculat ion opt ions:
If LMTD Correction Method is Then
Constant The LMTD correction factor you enter is constant.
Geometry HeatX calculates the LMTD correction factor using the exchanger specification
and stream properties
User subroutine You supply a user subroutine to calculate the LMTD correction factor.
Calculati ng the Heat Transfer Coeffi ci ent
To det er mine how t he heat t r ansfer coefficient is calculat ed, set t he Calculat ion
Met hod on t he Set up U Met hods sheet . You can use t hese opt ions in shor t cut or
r igor ous r at ing mode:
If Calculation Method is HeatX uses And you specify
Constant value A constant value for the heat transfer coefficient The constant value
Phase-specific values A different heat transfer coefficient for each heat transfer
zone of the exchanger, indexed by the phase for the hot
and cold streams
A constant value for
each zone
Power law expression A power law expression for the heat transfer coefficient as
a function of one of the stream flow rates
Constants for the power
law expression
In r igor ous r at ing mode, t hr ee addit ional values ar e allowed:
If Calculation Method is Then
Exchanger geometry HeatX calculates the heat transfer coefficient using exchanger geometry and stream
properties to estimate film coefficients.
Film coefficients HeatX calculates the heat transfer coefficients using the film coefficients. You can use
any option on the Setup Film Coefficients sheet to calculate the film coefficients.
User subroutine You supply a user subroutine to calculate the heat transfer coefficient.
3-10 Unit Oper at ion Models
Ver sion 10
Heat
Exchangers
Fi lm Coeffi ci ents
Heat X does not calculat e film coefficient s in shor t cut r at ing mode. In r igor ous
r at ing mode, if you use film coefficient s or exchanger geomet r y for t he heat
t r ansfer coefficient calculat ion met hod, Heat X calculat es t he heat t r ansfer
coefficient using:
1 1 1
U h h
c h
· +
Wher e:
h
c
= Cold st r eam film coefficient
h
h
= Hot st r eam film coefficient
To choose an opt ion for calculat ing film coefficient s, set t he Calculat ion Met hod
on t he Set up Film Coefficient s sheet . The following ar e available:
If Calculation Method is HeatX uses And you specify
Constant value A constant value for the film coefficient A constant value to be
used throughout the
exchanger
Phase-specific values A different film coefficient for each heat
transfer zone (phase) of the exchanger,
indexed by the phase of the stream
A constant value for
each phase
Power law expression A power law expression for the film coefficient
as a function of the stream flow rate
Constants for the power
law expression
Calculate from geometry The exchanger geometry and stream
properties to calculate the film coefficient
The hot st r eam and cold st r eam film coefficient calculat ion met hods ar e
independent of each ot her . You can use any combinat ion t hat is appr opr iat e for
your exchanger .
Pressure Drop Calculati ons
To ent er exchanger pr essur e or pr essur e dr op for t he hot and cold sides, use t he
Out let Pr essur e fields on t he Set up Pr essur e Dr op sheet . In shor t cut r at ing mode
t he pr essur e dr op is const ant .
Unit Oper at ion Models 3-11
Ver sion 10
Chapter 3
In r igor ous r at ing mode, you can choose how pr essur e dr ops ar e calculat ed by
set t ing t he pr essur e opt ions on t he Set up Pr essur eDr op sheet . The following
pr essur e dr op opt ions ar e available:
If Pressure Option is Then
Outlet Pressure You must enter the outlet pressure or pressure drop for the stream.
Calculate from geometry HeatX calculates the pressure drop using the exchanger geometry and stream
properties
Heat X calls t he Pipeline model t o calculat e t ube-side pr essur e dr op. You can set
t he cor r elat ions for pr essur e dr op and liquid holdup t hat t he Pipeline model uses
on t he Set up Pr essur eDr op sheet .
Exchanger Confi gurati on
Exchanger configur at ion r efer s t o t he over all pat t er ns of flow in t he heat
exchanger . If you choose Calculat e Fr om Geomet r y for any of t he heat t r ansfer
coefficient s, film coefficient s, or pr essur e dr op calculat ion met hods, you may be
r equir ed t o ent er some infor mat ion about t he exchanger configur at ion on t he
Geomet r y Shell sheet . This sheet includes fields for :
• TEMA shell t ype (see t he next figur e, TEMA Shell Types)
• Number of t ube passes
• Exchanger or ient at ion
• Tubes in baffle window
• Number of sealing st r ips
• Tube flow for ver t ical exchanger s
3-12 Unit Oper at ion Models
Ver sion 10
Heat
Exchangers
Two Pass Shell
with Longitudinal Baffle
One Pass Shell
E Shell
F Shell
G Shell
H Shell
J Shell
X Shell
Split Flow
Double Split Flow
Divided Flow
Cross Flow
TEMA Shell Types
Unit Oper at ion Models 3-13
Ver sion 10
Chapter 3
The Geomet r y Shell sheet also cont ains t wo impor t ant dimensions for t he shell:
• Inside shell diamet er
• Shell t o bundle clear ance
The next figur e shows t he shell dimensions.
Outer Tube
Limit
Shell to Bundle
Clearance
Shell Diameter
Shell Dimensions
Baffle Geometry
Calculat ion of shell-side film coefficient and pr essur e dr op r equir e infor mat ion
about t he baffle geomet r y wit hin t he shell. Ent er baffle geomet r y on t he
Geomet r y Baffles sheet .
Heat X can calculat e shell-side values for bot h segment al baffle shells and r od
baffle shells. Ot her r equir ed infor mat ion depends on t he baffle t ype. For
segment al baffles, r equir ed infor mat ion includes:
• Baffle cut
• Baffle spacing
• Baffle clear ances
For r od baffles, r equir ed infor mat ion includes:
• Ring dimensions
• Suppor t r od geomet r y
3-14 Unit Oper at ion Models
Ver sion 10
Heat
Exchangers
The next t wo figur es show t he baffle dimensions. The Baffle Cut in t he
Dimensions for Segment al Baffles figur e is a fr act ion of t he shell diamet er . All
clear ances ar e diamet r ic.
Baffle Cut
Tube Hole
Shell to Baffle
Clearance
Dimensions for Segmental Baffles
Ring Outside
Diameter
Ring Inside
Diameter
Rod Diameter
Dimensions for Rod Baffles
Tube Geometry
Calculat ion of t he t ube-side film coefficient and pr essur e dr op r equir e
infor mat ion about t he geomet r y of t he t ubebank. Heat X also uses t his
infor mat ion t o calculat e t he heat t r ansfer coefficient fr om t he film coefficient s.
Ent er t ube geomet r y on t he Geomet r y Tubes sheet .
Unit Oper at ion Models 3-15
Ver sion 10
Chapter 3
You can select a heat exchanger wit h eit her bar e or low-finned t ubes. The sheet
also includes fields for :
• Tot al number of t ubes
• Tube lengt h
• Tube diamet er s
• Tube layout
• Tube mat er ial of const r uct ion
The next t wo figur es show t ube layout pat t er ns and fin dimensions.
Tube
Pitch
30
o
Triangle
45
o
Tube
Pitch
Rotated
Square
60
o
Tube
Pitch
Rotated
Triangle
90
o
Tube
Pitch
Square
Direction of Flow
Tube Layout Patterns
Outside
Diameter
Fin Thickness
Root Mean
Diameter
Fin Height
Fin Dimensions
Nozzle Geometry
Calculat ions for pr essur e dr op include t he calculat ion of pr essur e dr op in t he
exchanger nozzles. Ent er nozzle geomet r y on t he Geomet r y Nozzles sheet .
Model Correlati ons
Heat X uses open lit er at ur e cor r elat ions for calculat ing film coefficient s and
pr essur e dr ops. The next four t ables list t he model cor r elat ions.
3-16 Unit Oper at ion Models
Ver sion 10
Heat
Exchangers
Tube-side Heat Transfer Coefficient Correlations
Mechanism Flow Regime Correlation References
Single-phase Laminar
Turbulent
Schlunder
Gnielinski
[1]
[1]
Boiling - vertical tubes Steiner/Taborek [2]
Boiling - horizontal tubes Shah [3, 4]
Condensation - vertical tubes Laminar
Laminar wavy
Turbulent
Shear-dominated
Nusselt
Kutateladze
Labuntsov
Rohsenow
[5]
[6]
[7]
[8]
Condensation - horizontal tubes Annular
Stratifying
Rohsenow
Jaster/Kosky method
[8]
[9]
Shell-side Heat Transfer Coefficient Correlations
Mechanism Flow Regime Correlation References
Single-phase segmental Bell-Delaware [10, 11]
Single-phase ROD Gentry [12]
Boiling Jensen [13]
Condensation - vertical Laminar
Laminar wavy
Turbulent
Shear-dominated
Nusselt
Kutateladze
Labuntsov
Rohsenow
[5]
[6]
[7]
[8]
Condensation - horizontal Kern [9]
Tube-side Pressure Drop Correlations
Mechanism Correlation
Single-phase Darcy’s Law
Two-phase See Chapter 6


S ee Pipeline, Two-Phase Correlations, for the correlations available for two-phase pressure drop in a
pipe.
Shell-side Pressure Drop Correlations
Mechanism Correlation References
Single-phase segmental Bell-Delaware [10, 11]
Single-phase ROD Gentry [12]
Two-phase segmental Bell-Delaware method with Grant’s correction for two-
phase flow
[10, 11], [14]
Two-phase ROD Gentry [12]
Unit Oper at ion Models 3-17
Ver sion 10
Chapter 3
Flash Speci fi cati ons
Use t he Opt ions Flash Opt ions sheet t o ent er flash specificat ions.
If you want to perform
these calculations Solids? Set Valid Phases to
Vapor phase Yes or no Vapor-only
Liquid phase Yes or no Liquid-only
2-fluid flash phase Yes or no Vapor-Liquid
3-fluid flash phase Yes or no Vapor-Liquid-Liquid
3-fluid phase free-water flash Yes or no Vapor-Liquid-FreeWater
Solids only Yes Solid-only
Physi cal Properti es
To over r ide global or flowsheet sect ion pr oper t y specificat ions, use t he
BlockOpt ions Pr oper t ies sheet . You can use differ ent physical pr oper t y opt ions
for t he hot side and cold side of t he heat exchanger . If you supply only one set of
pr oper t y specificat ions, Heat X uses t hat set for bot h hot and cold side
calculat ions.
Soli ds
All phases ar e in t her mal equilibr ium. Solids leave at t he same t emper at ur e as
t he fluid phases.
Heat X can simulat e fluid phases wit h solids when t he st r eam cont ains solid
subst r eams, or when you r equest elect r olyt e chemist r y calculat ions.
Sol i d Subst r ea ms Mat er ials in solid subst r eams do not par t icipat e in phase
equilibr ium calculat ions.
El ect r ol yt e Chemi st r y Ca l cul a t i ons You can r equest t hese on t he Pr oper t ies
Specificat ions Global sheet or Heat X BlockOpt ions Pr oper t ies sheet . Solid salt s
par t icipat e in liquid-solid phase equilibr ium and t her mal equilibr ium
calculat ions. The salt s ar e in t he MIXED subst r eam.
3-18 Unit Oper at ion Models
Ver sion 10
Heat
Exchangers
References
1. Gnielinski, V., "For ced Convect ion in Duct s." In: Heat Exchanger Design
Handbook. New Yor k: Hemispher e Publishing Cor por at ion, 1983.
2. St einer , D. and Tabor ek, J ., "Flow Boiling Heat Tr ansfer in Ver t ical Tubes
Cor r elat ed by an Asympt ot ic Model." In: Heat Tr ansfer Engineer ing, 13(2):43-
69, 1992.
3. Shah, M.M., "A New Cor r elat ion for Heat Tr ansfer Dur ing Boiling Flow
Thr ough Pipes." In: ASHRAE Tr ansact ions, 82(2):66-86, 1976.
4. Shah, M.M., "Char t Cor r elat ion for Sat ur at ed Boiling Heat Tr ansfer :
Equat ions and Fur t her St udy." In: ASHRAE Tr ansact ions, 87(1):185-196,
1981.
5. Nusselt , W., "Sur face Condensat ion of Wat er Vapor ." Z. Ver . Dt sch, Ing.,
60(27):541-546, 1916.
6. Kut at eladze, S.S., Fundament als of Heat Tr ansfer . New Yor k: Academic
Pr ess, 1963.
7. Labunt sov, D.A., "Heat Tr ansfer in Film Condensat ion of Pur e St eam on
Ver t ical Sur faces and Hor izont al Tubes." In: Teploener get ika, 4(7):72-80,
1957.
8. Rohsenow, W.M., Webber , J .H., and Ling, A.T., "Effect of Vapor Velocit y on
Laminar and Tur bulent Film Condensat ion." In: Tr ansact ions of t he ASME,
78:1637-1643, 1956.
9. J ast er , H. and Kosky, P.G., "Condensat ion Heat Tr ansfer in a Mixed Flow
Regime." In: Int er nat ional J our nal of Heat and Mass Tr ansfer , 19:95-99,
1976.
10. Tabor ek, J ., "Shell-and-Tube Heat Exchanger s: Single Phase Flow." In: Heat
Exchanger Design Handbook. New Yor k: Hemispher e Publishing
Cor por at ion, 1983.
11. Bell, K.J ., "Delawar e Met hod for Shell Side Design." In: Kakac, S., Ber gles,
A.E., and Mayinger , F., edit or s, Heat Exchanger s: Ther mal-Hydr aulic
Fundament als and Design. New Yor k: Hemispher e Publishing Cor p., 1981.
12. Gent r y, C.C., "RODBaffle Heat Exchanger Technology." In: Chemical
Engineer ing Pr ogr ess 86(7):48-57, J uly 1990.
13. J ensen, M.K. and Hsu, J .T., "A Par amet r ic St udy of Boiling Heat Tr ansfer in
a Tube Bundle." In: 1987 ASME-J SME Ther mal Engineer ing J oint
Confer ence, pages 133-140, Honolulu, Hawaii, 1987.
14. Gr ant , I.D.R. and Chisholm, D., "Two-Phase Flow on t he Shell Side of a
Segment ally Baffled Shell-and-Tube Heat Exchanger ." In: J our nal of Heat
Tr ansfer , 101(1):38-42, 1979.
Unit Oper at ion Models 3-19
Ver sion 10
Chapter 3
MHeatX
Multi stream Heat Exchanger
Use MHeat X t o r epr esent heat t r ansfer bet ween mult iple hot and cold st r eams,
such as in an LNG exchanger . You can also use MHeat X for t wo-st r eam heat
exchanger s. Fr ee wat er can be decant ed fr om any out let st r eam. MHeat X ensur es
an over all ener gy balance but does not account for t he exchanger geomet r y.
MHeat X can per for m a det ailed, r igor ous int er nal zone analysis t o det er mine t he
int er nal pinch point s and heat ing and cooling cur ves for all st r eams in t he heat
exchanger . MHeat X can also calculat e t he over all UA for t he exchanger and
model heat leak t o or fr om an exchanger .
MHeat X uses mult iple Heat er blocks and heat st r eams t o enhance flowsheet
conver gence. ASPEN PLUS aut omat ically sequences block and st r eam
conver gence unless you specify a sequence or t ear st r eam.
Flowsheet Connecti vi ty for MHeatX
Hot Inlets
(any number)
Hot Outlets
Water (optional)
Hot Outlets
Water (optional)
Water
(optional)
Cold
Outlets
Cold Inlets
(any number)
Materi al Streams
Inlet At least one mat er ial st r eam on t he hot side. At least one mat er ial st r eam
on t he cold side
Outlet One out let st r eam for each inlet st r eam
One wat er decant st r eam for each out let st r eam (opt ional)
The inlet st r eam sides ar e non-cont act ing.
3-20 Unit Oper at ion Models
Ver sion 10
Heat
Exchangers
Speci fyi ng MHeatX
You must give out let specificat ions for each st r eam on one side of t he heat
exchanger . On t he ot her side you can specify any of t he out let st r eams, but you
must leave at least one unspecified st r eam.
Differ ent st r eams can have differ ent t ypes of specificat ions. MHeat X assumes
t hat all unspecified st r eams have t he same out let t emper at ur e. An over all ener gy
balance det er mines t he t emper at ur e of any unspecified st r eam(s).
You can use a differ ent pr oper t y met hod for each st r eam in MHeat X. Specify t he
pr oper t y met hods on t he BlockOpt ions Pr oper t ies sheet .
Use t he following for ms t o ent er specificat ions and view r esult s for MHeat X:
Use this form To do this
Input Specify operating conditions, flash convergence parameters, parameters for
zone analysis, flash table, MHeatX convergence parameters, and block-specific
report options
Hcurves Specify heating or cooling curve tables and view tabular results
BlockOptions Override global values for physical properties, simulation options, diagnostic
message levels and report options for this block
Results View stream results, exchanger results, zone profiles, stream profiles, flash
profiles, and material and energy balance results
Zone Analysi s
MHeat X can per for m a det ailed, r igor ous int er nal zone analysis t o det er mine:
• Int er nal pinch point s
• UA and LMTD of each zone
• Tot al UA of t he exchanger
• Over all aver age LMTD
To obt ain a zone analysis, specify Number of zones gr eat er t han 0 on t he MHeat X
Input Zone Analysis sheet . Dur ing zone analysis MHeat X can add:
• St r eam ent r y point s (if all feed st r eams ar e not at t he same t emper at ur e)
• St r eam exit point s (if all pr oduct st r eams ar e not at t he same t emper at ur e)
• Phase change point s (if a phase change occur s int er nally)
MHeat X can also account for t he nonlinear it ies of zone pr ofiles by adding zones
adapt ively. MHeat X can per for m zone analysis for bot h count er cur r ent and co-
cur r ent heat exchanger s.
Unit Oper at ion Models 3-21
Ver sion 10
Chapter 3
Usi ng Flash Tables i n Zone Analysi s
Use Flash Tables t o est imat e zone pr ofiles and pinch point s quickly. These t ables
ar e most useful for heat exchanger s t hat have many st r eams, for which zone
analysis calculat ions can t ake a long t ime.
To use a Flash Table for a st r eam, specify t he number of flash point s for t he
st r eam on t he MHeat X Input Flash Table sheet . When you specify a flash t able
for a st r eam, MHeat X gener at es a t emper at ur e-ent halpy pr ofile of t hat st r eam
befor e zone analysis, and int er polat es t hat pr ofile dur ing zone analysis, r at her
t han flashing t he st r eam.
You can also specify t he fr act ion of t ot al pr essur e dr op in each phase r egion of a
st r eam on t he MHeat X Input Flash Table sheet . ASPEN PLUS uses t hese
fr act ions t o det er mine t he pr essur e pr ofile dur ing Flash Table gener at ion.
Computati onal Structure for MHeatX
The comput at ional st r uct ur e of MHeat X may affect your specificat ions.
Unlike ot her unit oper at ion blocks, MHeat X is not simulat ed by a single
comput at ion module. Inst ead, ASPEN PLUS gener at es heat er s and heat st r eams
t o r epr esent t he mult ist r eam heat exchanger . A Heat er block r epr esent s st r eams
wit h out let specificat ions. A mult ist r eam heat er block r epr esent s st r eams wit h
no out let specificat ions. The next figur e shows t he comput at ional st r uct ur e
gener at ed for a sample exchanger .
S3 S4 S5 S6 S7 S8
S1 S2
LNGIN LNGOUT
$LNGH03
$LNGQ03
$LNGQ02
HEATER HEATER
$LNGH02
$LNGQ04
HEATER
$LNGH04
$LNGHTR
MHEATER
Example of MHeatX Computational Structure
This comput at ional sequence conver ges much mor e r apidly t han simulat ion of
MHeat X as a single block. Block r esult s ar e given for t he ent ir e MHeat X
sequence. In most cases, you do not need t o know about t he individual blocks
gener at ed in t he sequence. The following par agr aphs descr ibe t he except ions.
3-22 Unit Oper at ion Models
Ver sion 10
Heat
Exchangers
Simulat ion hist or y and cont r ol panel messages ar e given for t he gener at ed
Heat er blocks and heat st r eams.
You can pr ovide an est imat e for dut y of t he int er nally gener at ed heat st r eam. If
t he heat st r eam is a t ear st r eam in t he flowsheet , ASPEN PLUS uses t his
est imat e as an init ial value.
You can give conver gence specificat ions for t he flowsheet r esult ing when MHeat X
blocks ar e r eplaced by t heir gener at ed net wor ks. The gener at ed Heat er block and
heat st r eam IDs must be used on t he Conver gence SequenceSpecificat ions and
Conver gence Tear Specificat ions sheet s.
Aut omat ic flowsheet analysis is based on t he flowsheet r esult ing when MHeat X
blocks ar e r eplaced by gener at ed Heat er blocks. The gener at ed Heat er blocks,
inst ead of t he MHeat X block, appear in t he calculat ion sequence. You can select
gener at ed heat st r eams as t ear st r eams.
Soli ds
MHeat X can simulat e fluid phases wit h solids when t he st r eam cont ains solid
subst r eams, or when you r equest elect r olyt e chemist r y calculat ions.
All phases ar e in t her mal equilibr ium. Solids leave at t he same t emper at ur e as
t he fluid phases.
Sol i d Subst r ea ms Mat er ials in solid subst r eams do not par t icipat e in phase
equilibr ium calculat ions.
El ect r ol yt e Chemi st r y Ca l cul a t i ons You can r equest t hese on t he Pr oper t ies
Specificat ions Global sheet or t he MHeat X BlockOpt ions Pr oper t ies sheet . Solid
salt s par t icipat e in liquid-solid phase equilibr ium and t her mal equilibr ium
calculat ions. The salt s ar e in t he MIXED subst r eam.
Unit Oper at ion Models 3-23
Ver sion 10
Chapter 3
Hetran
Interface to the B-JAC Hetran Program for Shell and Tube Heat
Exchangers
Het r an is t he int er face t o t he B-J AC Het r an pr ogr am for designing and
simulat ing shell and t ube heat exchanger s. Het r an can be used t o simulat e shell
and t ube heat exchanger s wit h a wide var iet y of configur at ions. To use Het r an,
place t he block in t he flowsheet , connect inlet and out let st r eams, and specify a
small number of block input s, including t he name of t he B-J AC input file for t hat
exchanger .
You ent er infor mat ion r elat ed t o t he heat exchanger configur at ion and geomet r y
t hr ough t he Het r an st andalone pr ogr am int er face. The exchanger specificat ion is
saved as a B-J AC input file. You do not have t o ent er infor mat ion about t he
exchanger ’s physical char act er ist ics t hr ough t he ASPEN PLUS user int er face or
t hr ough input language.
Flowsheet Connecti vi ty for Hetran
Cold Inlet
Hot Inlet
Hot Water (optional)
Hot Outlet
Cold Outlet
Cold Water (optional)
Materi al Streams
Inlet One hot inlet
One cold inlet
Outlet One hot out let
One cold out let
One wat er decant st r eam on t he hot side (opt ional)
One wat er decant st r eam on t he cold side (opt ional)
3-24 Unit Oper at ion Models
Ver sion 10
Heat
Exchangers
Speci fyi ng Hetran
Ent er t he input for t he shell and t ube heat exchanger t hr ough t he Het r an
pr ogr am’s gr aphical user int er face. The input for Het r an in ASPEN PLUS is
limit ed t o:
• The B-J AC input file name t hat cont ains t he heat exchanger specificat ion
• A set of par amet er s t o cont r ol how pr oper t y cur ves ar e gener at ed
• A set of Het r an pr ogr am input s t hat you can change fr om wit hin
ASPEN PLUS (for example, fouling fact or s and film coefficient s)
Use t he following for ms t o ent er specificat ions and view r esult s for Het r an:
Use this form To do this
Input Specify the name of the B-JAC input file, parameters for calculating the property curves,
optional Hetran program inputs, flash convergence parameters, and valid phases
BlockOption
s
Override global values for physical properties, simulation options, diagnostic message
levels, and report options for this block
Results View inlet and outlet stream conditions and material and energy balance results
Detailed
Results
View overall results and detailed results for the shell side and tube side
Flash Speci fi cati ons
Use t he FlashOpt ions sheet t o ent er flash specificat ions.
If you want to perform these calculations Solids? Set Valid Phases to
Vapor phase Yes or no Vapor-only
Liquid phase Yes or no Liquid-only
2-fluid flash phase Yes or no Vapor-Liquid
3-fluid flash phase Yes or no Vapor-Liquid-Liquid
3-fluid phase free-water flash Yes or no Vapor-Liquid-FreeWater
Solids only Yes Solid-only
Unit Oper at ion Models 3-25
Ver sion 10
Chapter 3
Physi cal Properti es
To over r ide global or flowsheet sect ion pr oper t y specificat ions, use t he
FlashOpt ions sheet . You can use differ ent physical pr oper t y met hods for t he hot
side and cold side of t he heat exchanger . If you supply only one set of pr oper t y
specificat ions, Het r an uses t hat set for bot h hot - and cold-side calculat ions.
Soli ds
Het r an cannot cur r ent ly handle st r eams wit h solids subst r eams.
3-26 Unit Oper at ion Models
Ver sion 10
Heat
Exchangers
Aerotran
Interface to the B-JAC Aerotran Program for Air-cooled Heat Exchangers
Aer ot r an is t he int er face t o t he B-J AC Aer ot r an pr ogr am for designing and
simulat ing air -cooled heat exchanger s. Aer ot r an can be used t o simulat e air -
cooled heat exchanger s wit h a wide var iet y of configur at ions. It can also be used
t o model economizer s and t he convect ion sect ion of fir ed heat er s. To use
Aer ot r an, place t he block in t he flowsheet , connect inlet and out let st r eams, and
specify a small number of block input s, including t he name of t he B-J AC input
file for t hat exchanger .
You ent er infor mat ion r elat ed t o t he air cooler configur at ion and geomet r y
t hr ough t he Aer ot r an st andalone pr ogr am int er face. The air cooler specificat ion
is saved as a B-J AC input file. You do not have t o ent er infor mat ion about t he air
cooler ’s physical char act er ist ics t hr ough t he ASPEN PLUS user int er face or
t hr ough input language.
Flowsheet Connecti vi ty for Aerotran
Cold (Air) Inlet
Cold (Air) Outlet
Hot Outlet
Hot Inlet
Hot Water (optional)
Cold Water (optional)
Materi al Streams
Inlet One hot inlet
One cold (air ) inlet
Outlet One hot out let
One cold (air ) out let
One wat er decant st r eam on t he hot side (opt ional)
One wat er decant st r eam on t he cold side (opt ional)
Unit Oper at ion Models 3-27
Ver sion 10
Chapter 3
Speci fyi ng Aerotran
Ent er t he input for t he air -cooled heat exchanger t hr ough t he Aer ot r an pr ogr am’s
gr aphical user int er face. The input for Aer ot r an in ASPEN PLUS is limit ed t o:
• The B-J AC input file name t hat cont ains t he heat exchanger specificat ion
• A set of par amet er s t o cont r ol how pr oper t y cur ves ar e gener at ed
• A set of Aer ot r an pr ogr am input s t hat you can change fr om wit hin ASPEN
PLUS (for example, fouling fact or s and film coefficient s)
Use t he following for ms t o ent er specificat ions and view r esult s for Aer ot r an:
Use this form To do this
Input Specify the name of the B-JAC input file, parameters for calculating the property
curves, optional Aerotran program inputs, flash convergence parameters, and valid
phases
BlockOptions Override global values for physical properties, simulation options, diagnostic
message levels, and report options for this block
Results View inlet and outlet stream conditions and material and energy balance results
Detailed Results View overall results, detailed results for the outside and tube side, and fan results
Flash Speci fi cati ons
Use t he FlashOpt ions sheet t o ent er flash specificat ions.
If you want to perform these calculations Solids? Set Valid Phases to
Vapor phase Yes or no Vapor-only
Liquid phase Yes or no Liquid-only
2-fluid flash phase Yes or no Vapor-Liquid
3-fluid flash phase Yes or no Vapor-Liquid-Liquid
3-fluid phase free-water flash Yes or no Vapor-Liquid-FreeWater
Solids only Yes Solid-only
3-28 Unit Oper at ion Models
Ver sion 10
Heat
Exchangers
Physi cal Properti es
To over r ide global or flowsheet sect ion pr oper t y specificat ions, use t he
FlashOpt ions sheet . You can use differ ent physical pr oper t y met hods for t he hot
side and cold side of t he air cooler . If you supply only one set of pr oper t y
specificat ions, Aer ot r an uses t hat set for bot h hot - and cold-side calculat ions.
Soli ds
Aer ot r an blocks cannot cur r ent ly handle st r eams wit h solids subst r eams.
y y y y
Unit Oper at ion Models 4-1
Ver sion 10
Chapter 4
4 Columns
This chapt er descr ibes t he unit oper at ion models for dist illat ion columns using
shor t cut and r igor ous calculat ions, and for liquid-liquid ext r act ion. The models
ar e:
Model Description Purpose Use For
DSTWU Shortcut distillation design
using the Winn-
Underwood-Gilliland
method
Determines minimum reflux ratio,
minimum number of stages, and either
actual reflux ratio or actual number of
stages
Columns with one feed
and two product streams
Distl Shortcut distillation rating
using the Edmister method
Determines separation based on reflux
ratio, number of stages, and distillate-to-
feed ratio
Columns with one feed
and two product streams
SCFrac Shortcut distillation for
complex petroleum
fractionation units
Determines product composition and flow,
number of stages per section, and heat
duty using fractionation indices
Complex columns, such as
crude units and vacuum
towers
RadFrac Rigorous fractionation Performs rigorous rating and design
calculations for single columns
Ordinary distillation,
absorbers, strippers,
extractive and azeotropic
distillation, three-phase
distillation, reactive
distillation
MultiFrac Rigorous fractionation for
complex columns
Performs rigorous rating and design
calculations for multiple columns of any
complexity
Heat integrated columns,
air separation columns,
absorber/stripper
combinations ethylene
plant primary fractionator
quench tower
combinations, petroleum
refining applications
continued
4-2 Unit Oper at ion Models
Ver sion 10
Columns
Model Description Purpose Use For
PetroFrac Petroleum refining
fractionation
Performs rigorous rating and design
calculations for complex columns in
petroleum refining applications
Preflash tower,
atmospheric crude unit,
vacuum unit, catalytic
cracker main fractionator,
delayed coker main
fractionator, vacuum lube
fractionator, ethylene plant
primary fractionator and
quench tower
combinations
RateFrac

Rate-based distillation Performs rigorous rating and design for
single and multiple columns. Based on
nonequilibrium calculations. Does not
require efficiencies and HETPs.
Distillation columns,
absorbers, strippers,
reactive systems, heat
integrated units, petroleum
applications, such as
crude and vacuum units,
absorber-stripper
combination
Extract Rigorous liquid-liquid
extraction
Models countercurrent extraction of a
liquid stream using a solvent
Liquid-liquid extractors

RateFrac requires a separate license and can be used only by customers who have purchased it through
a specific license agreement with Aspen Technology, Inc.
This chapt er is or ganized int o t he following sect ions:
Section Models
Shortcut Distillation DSTWU, Distl, SCFrac
Rigorous Distillation RadFrac, MultiFrac, PetroFrac, RateFrac
Liquid-Liquid Extraction Extract
Unit Oper at ion Models 4-3
Ver sion 10
Chapter 4
DSTWU
Shortcut Distillation Design
DSTWU per for ms shor t cut design calculat ions for single-feed, t wo-pr oduct
dist illat ion columns wit h a par t ial or t ot al condenser .
DSTWU assumes const ant molal over flow and const ant r elat ive volat ilit ies.
DSTWU uses this method/correlation To estimate
Winn Minimum number of stages
Underwood Minimum reflux ratio
Gilliland Required reflux ratio for a specified number of stages or the required
number of stages for a specified reflux ratio
For t he specified r ecover y of light and heavy key component s, DSTWU est imat es:
• Minimum r eflux r at io
• Minimum number of t heor et ical st ages
DSTWU t hen est imat es one of t he following:
• Requir ed r eflux r at io for t he specified number of t heor et ical st ages
• Requir ed number of t heor et ical st ages for t he specified r eflux r at io
DSTWU also est imat es t he opt imum feed st age locat ion and t he condenser and
r eboiler dut ies. DSTWU can pr oduce t ables and plot s of r eflux r at io ver sus
number of st ages.
Flowsheet Connecti vi ty for DSTWU
Heat
(optional)
Heat
(optional)
Heat
(optional)
Heat
(optional)
Water
(optional)
Distillate
Feed
Bottoms
1
2
N-1
N
4-4 Unit Oper at ion Models
Ver sion 10
Columns
Materi al Streams
Inlet One mat er ial feed st r eam
Outlet One dist illat e st r eam
One bot t oms st r eam
One wat er decant st r eam fr om condenser (opt ional)
Heat Streams
Inlet One st r eam for condenser cooling (opt ional)
One st r eam for r eboiler heat ing (opt ional)
Outlet One st r eam for condenser cooling (opt ional)
One st r eam for r eboiler heat ing (opt ional)
Each out let heat st r eam cont ains t he net heat dut y for eit her t he condenser or t he
r eboiler . The net heat dut y is t he inlet heat st r eam minus t he act ual (calculat ed)
heat dut y.
If you use heat st r eams for t he r eboiler , you must also use t hem for t he
condenser .
Speci fyi ng DSTWU
Use t he Input Specificat ions sheet t o ent er column specificat ions. The following
t able shows t he specificat ions and what is calculat ed based on t hem:
Specification Result
Recovery of light and heavy key components Minimum reflux ratio and minimum number of theoretical stages
Number of theoretical stages Required reflux ratio
Reflux ratio Required number of theoretical stages
DSTWU also est imat es t he opt imum feed st age locat ion, and t he condenser and
r eboiler dut ies.
DSTWU can gener at e an opt ional t able of r eflux r at io ver sus number of st ages.
Use t he Input Calculat ionOpt ions sheet t o ent er specificat ions for t he t able.
Unit Oper at ion Models 4-5
Ver sion 10
Chapter 4
Use t he following for ms t o ent er specificat ions and view r esult s for DSTWU:
Use this form To do this
Input Specify configuration and calculation options, block-specific report options, flash
convergence parameters, valid phases, and DSTWU convergence parameters
BlockOptions Override global values for physical properties, simulation options, diagnostic message
levels, and report options for this block
Results View summary results, material and energy balance results, and reflux ratio profile
4-6 Unit Oper at ion Models
Ver sion 10
Columns
Di stl
Shortcut Distillation Rating
Dist l simulat es mult ist age mult icomponent columns wit h a feed st r eam and t wo
pr oduct st r eams.
Dist l per for ms shor t cut dist illat ion r at ing calculat ions for a single-feed, t wo-
pr oduct dist illat ion column. The column can have eit her a par t ial or t ot al
condenser . Dist l calculat es pr oduct composit ion using t he Edmist er appr oach. Dist l
assumes const ant mole over flow and const ant r elat ive volat ilit ies.
Flowsheet Connecti vi ty for Di stl
Heat
(optional)
Heat
(optional)
Heat
(optional)
Heat
(optional)
Water
(optional)
Distillate
Feed
Bottoms
1
2
N-1
N
Materi al Streams
Inlet One mat er ial feed st r eam
Outlet One dist illat e st r eam
One bot t oms st r eam
One wat er decant st r eam fr om condenser (opt ional)
Heat Streams
Inlet One st r eam for condenser cooling (opt ional)
One st r eam for r eboiler heat ing (opt ional)
Outlet One st r eam for condenser cooling (opt ional)
One st r eam for r eboiler heat ing (opt ional)
Unit Oper at ion Models 4-7
Ver sion 10
Chapter 4
Each out let heat st r eam cont ains t he net heat dut y for eit her t he condenser or t he
r eboiler . The net heat dut y is t he inlet heat st r eam minus t he act ual (calculat ed)
heat dut y.
If you use heat st r eams for t he r eboiler , you must also use t hem for t he
condenser .
Speci fyi ng Di stl
Use t he Input Specificat ions sheet t o ent er t he number of st ages, r eflux r at io,
dist illat e t o feed r at io, and ot her column specificat ions.
Use t he Input Conver gence sheet t o over r ide default valid phases for condenser ,
conver gence par amet er s for flash calculat ions, and model conver gence par amet er s.
Use t he following for ms t o ent er specificat ions and view r esult s for Dist l:
Use this form To do this
Input Specify basic column configuration, operating conditions, Distl convergence parameters, and flash
convergence parameters
BlockOptions Override global values for physical properties, simulation options, diagnostic message levels, and
report options for this block
Results View summary of column results and material and energy balance results
Dynamic Specify parameters for dynamic simulation
4-8 Unit Oper at ion Models
Ver sion 10
Columns
SCFrac
Shortcut Distillation for Complex Columns
Use SCFr ac t o simulat e complex dist illat ion columns wit h a single feed, opt ional
st r ipping st eam, and any number of pr oduct s. SCFr ac also est imat es t he number
of t heor et ical st ages and t he heat ing/cooling dut y for each sect ion.
SCFr ac can model complex columns, such as cr ude unit s and vacuum t ower s.
SCFr ac per for ms shor t cut dist illat ion calculat ions for columns wit h a single feed,
one opt ional st r ipping st eam st r eam, and any number of pr oduct s. SCFr ac
divides a column wit h n pr oduct s int o n – 1 sect ions. These sect ions ar e
number ed fr om t he t op down. SCFr ac assumes:
• Relat ive volat ilit ies ar e const ant for each sect ion
• The flow of liquid fr om sect ion t o sect ion is negligible
SCFr ac does not handle solids. SCFr ac can per for m fr ee-wat er calculat ions in t he
condenser .
Flowsheet Connecti vi ty for SCFrac
Steam
(optional)
Distillate
Bottoms
Side Products
(any number)
Feed
Materi al Streams
Inlet One mat er ial feed st r eam
One opt ional st r ipping st eam st r eam (used for all sect ions)
Outlet One dist illat e st r eam
One bot t oms st r eam
At least one side pr oduct st r eam
Unit Oper at ion Models 4-9
Ver sion 10
Chapter 4
Speci fyi ng SCFrac
SCFr ac divides an n–pr oduct column int o n – 1 sect ions (see t he next figur e,
SCFr ac Mult idr aw Column). SCFr ac number s t he column sect ions fr om t he t op
down. For each sect ion, you must specify:
• Pr oduct pr essur e
• Est imat e of pr oduct flow or flow fr act ion based on feed flow
You must specify t he r at io of st eam t o pr oduct flow r at e for all pr oduct st r eams
except t he dist illat e. You must also ent er 2(n – 1) specificat ions fr om t he following:
• Fr act ionat ion index (number of t heor et ical st ages at t ot al r eflux) of a sect ion
• Tot al flow, flow r at e, or r ecover y of any gr oup of component s for a pr oduct
st r eam
• Value of a pr oper t y set pr oper t y for a pr oduct st r eam (see AS PEN PLUS User
Guide, Chapt er 28)
• Differ ence of any pair of pr oper t y set pr oper t ies for one or a pair of pr oduct
st r eam(s)
• Rat io of any pair of pr oper t y set pr oper t ies for one or a pair of pr oduct
st r eam(s)
Because SCFr ac per for ms st eam calculat ions, wat er must always be pr esent . All
wat er flow leaves wit h t he t op pr oduct st r eam.
A Multidraw
Column
P1
P2
P3
P4
P5
Stream-1
P1
P2
Stream-1
P3
Stream-2
P4
P5
Stream-3
Stream-4
Stream-2
Stream-3
Stream-4
Feed
Feed
SCFrac Multidraw Column
4-10 Unit Oper at ion Models
Ver sion 10
Columns
Use t he following for ms t o ent er specificat ions and view r esult s for SCFr ac:
Use this form To do this
Input Specify operating parameters, valid phases, SCFrac convergence parameters, and
flash convergence parameters
BlockOptions Override global values for physical properties, simulation options, diagnostic
message levels, and report options for this block
Results View condenser results, material and energy balance results, design specification
results, section profiles, and product summary
Unit Oper at ion Models 4-11
Ver sion 10
Chapter 4
RadFrac
Rigorous Fractionation
RadFr ac is a r igor ous model for simulat ing all t ypes of mult ist age vapor -liquid
fr act ionat ion oper at ions. These oper at ions include:
• Or dinar y dist illat ion
• Absor pt ion
• Reboiled absor pt ion
• St r ipping
• Reboiled st r ipping
• Ext r act ive and azeot r opic dist illat ion
RadFr ac is suit able for :
• Two-phase syst ems
• Thr ee-phase syst ems
• Nar r ow and wide-boiling syst ems
• Syst ems exhibit ing st r ong liquid phase nonidealit y
RadFr ac can det ect and handle a fr ee-wat er phase or ot her second liquid phase
anywher e in t he column. RadFr ac can handle solids on ever y st age.
RadFr ac can handle pumpar ounds leaving any st age and r et ur ning t o t he same
st age or t o a differ ent st age.
RadFr ac can model columns in which chemical r eact ions ar e occur r ing. React ions
can have fixed conver sions, or t hey can be:
• Equilibr ium
• Rat e-cont r olled
• Elect r olyt ic
RadFr ac can also model columns in which t wo liquid phases and chemical
r eact ions occur simult aneously, using differ ent r eact ion kinet ics for t he t wo
liquid phases. In addit ion, RadFr ac can model salt pr ecipit at ion.
Alt hough RadFr ac assumes equilibr ium st ages, you can specify eit her Mur phr ee
or vapor izat ion efficiencies. You can manipulat e Mur phr ee efficiencies t o mat ch
plant per for mance.
You can use RadFr ac t o size and r at e columns consist ing of t r ays and/or
packings. RadFr ac can model bot h r andom and st r uct ur ed packings.
4-12 Unit Oper at ion Models
Ver sion 10
Columns
Flowsheet Connecti vi ty for RadFrac
Bottoms
Product
Products (optional)
Decanters
Return
Boil-Up
Feeds
1
Reflux
Heat (optional)
Heat (optional)
Liquid Distillate
Vapor Distillate
Water Distillate
(optional)
Heat (optional)
Heat
(optional)
Heat
(optional)
Nstage
Bottom Stage
or Reboiler
Heat Duty
Top Stage
or Condenser
Heat Duty
RadFr ac can have any number of:
• St ages
• Int er st age heat er s/cooler s
• Decant er s
• Pumpar ounds
Materi al Streams
Inlet At least one inlet mat er ial st r eam
Outlet One vapor or liquid dist illat e pr oduct st r eam, or bot h
One wat er dist illat e pr oduct st r eam (opt ional)
One bot t oms liquid pr oduct st r eam
Up t o t hr ee side pr oduct st r eams per st age (opt ional)
Any number of pseudo-pr oduct st r eams (opt ional)
Each st age can have:
• Any number of inlet st r eams
• Up t o t hr ee out let st r eams (one vapor and t wo liquid)
Out let st r eams can be par t ial or t ot al dr awoffs of t he st age flows.
Decant er out let st r eams can r et ur n t o t he st age immediat ely below. Or t hey can
be split int o any number of st r eams, each r et ur ning t o a differ ent user -specified
st age. Pumpar ounds can go bet ween any t wo st ages, or t o t he same st age.
Any number of pseudopr oduct st r eams can r epr esent column int er nal flows,
pumpar ound flows, and t her mosyphon r eboiler flows. A pseudopr oduct st r eam
does not affect column r esult s.
Unit Oper at ion Models 4-13
Ver sion 10
Chapter 4
Heat Streams
Inlet One inlet heat st r eam per st age (opt ional)
One heat st r eam per pumpar ound (opt ional)
Outlet One out let heat st r eam per st age (opt ional)
One heat st r eam per pumpar ound (opt ional)
RadFr ac uses an inlet heat st r eam as a dut y specificat ion for all st ages except t he
condenser , r eboiler , and pumpar ounds. If you do not give t wo column oper at ing
specificat ions on t he Set up Configur at ion sheet , RadFr ac uses a heat st r eam as a
specificat ion for t he condenser and r eboiler . If you do not give t wo specificat ions on
t he Pumpar ounds Specificat ions sheet , RadFr ac uses a heat st r eam as a
specificat ion for pumpar ounds.
If you give t wo specificat ions on t he Set up Configur at ion sheet or Pumpar ounds
Specificat ions sheet , RadFr ac does not use t he inlet heat st r eam as a
specificat ion. The inlet heat st r eam supplies t he r equir ed heat ing or cooling.
Use opt ional out let st r eams for t he net heat dut y of t he condenser , r eboiler , and
pumpar ounds. The value of t he out let heat st r eam equals t he value of t he inlet
heat st r eam (if any) minus t he act ual (calculat ed) heat dut y.
Speci fyi ng RadFrac
This sect ion descr ibes t he following t opics on RadFr ac column configur at ion:
• St age Number ing
• Feed St r eam Convent ions
• Columns Wit hout Condenser s or Reboiler s
• Reboiler Handling
• Heat er and Cooler Specificat ions
• Decant er s
• Pumpar ounds
Use t he following for ms t o ent er specificat ions and view r esult s for RadFr ac:
Use this form To do this
Setup Specify basic column configuration and operating conditions
DesignSpecs Specify design specifications and view convergence results
Vary Specify manipulated variables to satisfy design specifications and view final values
HeatersCoolers Specify stage heating or cooling
Pumparounds Specify pumparounds and view pumparound results
continued
4-14 Unit Oper at ion Models
Ver sion 10
Columns
Use this form To do this
Pumparounds Hcurves Specify pumparound heating or cooling curve tables and view tabular
results
Decanters Specify decanters and view decanter results
Efficiencies Specify stage, component or sectional efficiencies
Reactions Specify equilibrium, kinetic, and conversion reaction parameters
CondenserHcurves Specify condenser heating or cooling curve tables and view tabular
results
ReboilerHcurves Specify reboiler heating or cooling curve tables and view tabular results
TraySizing Specify sizing parameters for tray column sections and view results
TrayRating Specify rating parameters for tray column sections and view results
PackSizing Specify sizing parameters for packed column sections and view results
PackRating Specify rating parameters for packed column sections and view results
Properties Specify physical property parameters for column sections
Estimates Specify initial estimates for stage temperatures, vapor and liquid flows,
and compositions
Convergence Specify convergence parameters for the column and feed flash
calculations, and block-specific diagnostic message levels
Report Specify block-specific report options and pseudostreams
BlockOptions Override global values for physical properties, simulation options,
diagnostic message levels, and report options for this block
UserSubroutines Specify user subroutines for reaction kinetics, KLL calculations, tray
sizing and rating, and packing sizing and rating
ResultsSummary View key column results for the overall RadFrac column
Profiles View and specify column profiles
Dynamic Specify parameters for dynamic simulations
Stage Numberi ng
RadFr ac number s st ages fr om t he t op down, st ar t ing wit h t he condenser (or
st ar t ing wit h t he t op st age if t her e is no condenser ).
Feed Stream Conventi ons
Use t he Set up St r eams sheet t o specify t he feed and pr oduct st ages.
RadFr ac pr ovides t hr ee convent ions for handling feed st r eams:
• Above-St age
• On-St age
• Decant er (for t hr ee phase calculat ions only)
Unit Oper at ion Models 4-15
Ver sion 10
Chapter 4
(See t he following figur es, RadFr ac Feed Convent ion Above-St age and RadFr ac
Feed Convent ion On-St age.)
When t he feed convent ion is Above-St age, RadFr ac int r oduces a mat er ial st r eam
bet ween adjacent st ages. The liquid por t ion flows t o t he st age you specify. The
vapor por t ion flows t o t he st age above. You can int r oduce a liquid feed t o t he t op
st age (or condenser ) by specifying St age=1. You can int r oduce a vapor feed t o t he
bot t om st age (or r eboiler ) by specifying St age= t he number of equilibr ium st ages
+ 1. Feed convent ion Decant er is used only in t hr ee-phase calculat ions (Valid
Phases=Vapor -Liquid-Liquid on t he Set up Configur at ion sheet ) involving
decant er s. You can int r oduce a feed dir ect ly t o a decant er at t ached t o a st age
using t his convent ion.
n - 1
n
Mixed feed
to stage n
Vapor
Liquid
RadFrac Feed Convention Above-Stage
n - 1
n
n + 1
Mixed feed to
stage n
RadFrac Feed Convention On-Stage
When t he Feed Convent ion is On-St age, bot h t he liquid and vapor por t ions of a
feed flow t o t he st age you specify.
4-16 Unit Oper at ion Models
Ver sion 10
Columns
Columns Without Condensers or Reboilers
You can specify t he column configur at ion on t he Set up Configur at ion sheet .
If the column has no Then specify On sheet
Condenser None for
Condenser
Setup Configuration
Reboiler None for Reboiler Setup Configuration
Reboiler Handling
RadFr ac can model t wo r eboiler t ypes:
• Ket t le
• Ther mosyphon
A ket t le r eboiler is modeled as t he last st age in t he column on t he Set up
Configur at ion sheet . Select Ket t le for r eboiler . By default , RadFr ac uses a ket t le
r eboiler . To specify t he r eboiler dut y, ent er Reboiler Dut y as one of t he oper at ing
specificat ions on t he Set up Configur at ion sheet or leave it as a calculat ed value.
A t her mosyphon r eboiler is modeled as a pumpar ound wit h a heat er , fr om and t o
t he bot t om st age. Select Ther mosyphon for Reboiler on t he Set up Configur at ion
sheet . Ent er all ot her t her mosyphon r eboiler specificat ions on t he Set up Reboiler
sheet .
The next figur e shows t he t her mosyphon r eboiler configur at ion. By default ,
RadFr ac r et ur ns t he r eboiler out let t o t he last st age using t he On-St age feed
convent ion. You can also use t he Reboiler Ret ur n Feed Convent ion on t he
Reboiler sheet t o specify Above-St age. This dir ect s t he vapor por t ion of t he
r eboiler out let t o St age= t he number of equilibr ium st ages - 1.
Reboiler
Bottoms (B)
Nstage - 1
Nstage
Thermosyphon Reboiler
Unit Oper at ion Models 4-17
Ver sion 10
Chapter 4
The t her mosyphon r eboiler model has five r elat ed var iables:
• Pr essur e
• Flow r at e
• Temper at ur e
• Temper at ur e change
• Vapor fr act ion
You must specify one of t he following:
• Temper at ur e
• Temper at ur e change
• Vapor fr act ion
• Flow r at e
• Flow r at e and t emper at ur e
• Flow r at e and t emper at ur e change
• Flow r at e and vapor fr act ion
If you choose an opt ion consist ing of t wo var iables, you must specify t he r eboiler
heat dut y on t he Set up Configur at ion sheet . RadFr ac t r eat s t he value you ent er
for t he r eboiler heat dut y as an init ial est imat e.
The r eboiler pr essur e is opt ional. If you do not ent er a value, RadFr ac uses t he
bot t om st age pr essur e.
Heater and Cooler Specifications
You can specify int er st age heat er s and cooler s in one of t wo ways:
• Specifying t he dut y dir ect ly on t he Heat er sCooler s SideDut ies sheet
• Request ing UA calculat ions on t he Heat er sCooler s Ut ilit yExchanger s sheet
If you specify t he dut y dir ect ly on t he Heat er sCooler s SideDut ies sheet , ent er a
posit ive dut y for heat ing and a negat ive dut y for cooling.
If you r equest UA calculat ions on t he Heat er sCooler s Ut ilit yExchanger s sheet ,
RadFr ac calculat es t he dut y and out let t emper at ur e of t he heat ing/cooling fluid
simult aneously wit h t he column. The UA calculat ions:
• Assume t he st age t emper at ur e is const ant
• Use an ar it hmet ic aver age t emper at ur e differ ence
• Assume t he heat ing or cooling fluid does not exper ience any phase change
To r equest UA calculat ions, specify t he:
• UA
• Heat ing or cooling fluid component
• Flow and inlet t emper at ur e of t he fluid
4-18 Unit Oper at ion Models
Ver sion 10
Columns
You can specify t he heat capacit y of t he fluid dir ect ly on t he Heat er sCooler s
Ut ilit yExchanger s sheet or RadFr ac can comput e it fr om a pr oper t y met hod. If
RadFr ac comput es t he heat capacit y, you must also ent er t he pr essur e and phase
of t he heat ing or cooling fluid. By default , RadFr ac calculat es t he heat capacit y
using t he block pr oper t y met hod. But you can also use a differ ent pr oper t y
met hod.
You can also specify t he heat loss for sect ions of t he column on t he
Heat er sCooler s Heat Loss sheet .
Decanters
For t hr ee-phase calculat ions (Valid Phases=Vapor -Liquid-Liquid on t he Set up
Configur at ion sheet ), you can define any number of decant er s. Ent er decant er
specificat ions on t he Decant er s for m.
For t he decant er on t he t op st age, you must ent er t he r et ur n fr act ion of at least
one of t he t wo liquid phases (Fr act ion of 1st Liquid Ret ur ned, Fr act ion of 2nd
Liquid Ret ur ned on t he Decant er s Specificat ions sheet ). For decant er s on ot her
st ages, you must always specify bot h Fr act ion of 1st Liquid Ret ur ned and
Fr act ion of 2nd Liquid Ret ur ned.
You can ent er Temper at ur e and Degr ees Subcooling on t he Decant er s Opt ions
sheet t o model subcooled decant er s. If you do not specify Temper at ur e and
Degr ees Subcooling, t he decant er is oper at ed at t he t emper at ur e of t he st age t o
which t he decant er is at t ached. If side pr oduct st r eams ar e decant er pr oduct s,
you cannot specify t heir flow r at es. RadFr ac calculat es t heir flow r at es fr om t he
Fr act ion of 1st Liquid Ret ur ned and Fr act ion of 2nd Liquid Ret ur ned.
By default RadFr ac r et ur ns decant er st r eams t o t he st age immediat ely below.
You can r et ur n t he decant er st r eams t o any ot her st age by ent er ing a differ ent
Ret ur n St age number on t he Decant er s Specificat ions sheet . You can split a
r et ur n st r eam int o any number of st r eams by giving a split fr act ion (Split
Fr act ion of Tot al Ret ur n for t he 1st Liquid and 2nd Liquid). Each r esult ing
st r eam may go t o a differ ent r et ur n st age.
When r et ur n st r eams do not go t o t he next st age, a feed or pumpar ound must go
t o t he next st age. This pr event s dr y st ages.
Pumparounds
RadFr ac can handle pumpar ounds fr om any st age t o t he same or any ot her st age.
Use t he Pumpar ounds for m t o ent er all pumpar ound specificat ions.
You must ent er t he sour ce and dest inat ion st age locat ions for pumpar ounds. A
pumpar ound can be eit her a par t ial or t ot al dr awoff of t he:
• St age liquid
• Fir st liquid phase
Unit Oper at ion Models 4-19
Ver sion 10
Chapter 4
• Second liquid phase
• Vapor phase
You can associat e a heat er or cooler wit h a pumpar ound. If t he pumpar ound is a
par t ial dr awoff of t he st age flow, you must ent er t wo of t he following
specificat ions:
• Flow r at e
• Temper at ur e
• Temper at ur e change
• Vapor fr act ion
• Heat Dut y
If t he pumpar ound is a t ot al dr awoff, you must ent er one of t he following
specificat ions:
• Temper at ur e
• Temper at ur e change
• Vapor fr act ion
• Heat Dut y
Vapor fr act ion is allowed only when Valid Phases=Vapor -Liquid or
Vapor -Liquid-Liquid.
Use t he Pumpar ounds Specificat ions sheet t o ent er t hese oper at ing
specificat ions.
Pr essur e specificat ion is opt ional. The default pumpar ound pr essur e is t he same
as t he sour ce st age pr essur e. RadFr ac assumes t hat t he pumpar ound at t he
heat er /cooler out let has t he same phase condit ion as t he pumpar ound at t he
inlet . You can over r ide t he phase condit ion using t he Valid phases field on
Pumpar ound Specificat ions sheet .
RadFr ac can r et ur n t he pumpar ound t o a st age using eit her t he:
• On-st age opt ion
• Above-st age opt ion (r et ur ns t he pumpar ound t o t he column bet ween t wo
st ages)
In t hr ee-phase columns, RadFr ac can also r et ur n t he pumpar ound t o a decant er
associat ed wit h a st age. You can select above-st age using t he Ret ur n opt ion field.
RadFr ac assumes t he pumpar ound at t he heat er /cooler out let has t he same
phase condit ion as t he inlet .
You can use Ret ur n-Phase on t he Pumpar ounds Specificat ions sheet t o assign a
differ ent phase at t he heat er /cooler out let . Or you can specify Valid
Phases=Vapor Liquid or Vapor -Liquid-Liquid and let RadFr ac det er mine t he
r et ur n phase condit ion fr om t he heat er /cooler specificat ions.
4-20 Unit Oper at ion Models
Ver sion 10
Columns
Free-Water and Ri gorous Three-Phase Calculati ons
RadFr ac can per for m bot h fr ee-wat er and r igor ous t hr ee-phase calculat ions. (See
AS PEN PLUS Physical Property Methods and Models, Chapt er 6.) These
calculat ions ar e cont r olled by opt ions you specify on t he Set up Configur at ion sheet .
You can select fr om t hr ee t ypes of calculat ions:
• Fr ee wat er in t he condenser only
• Fr ee wat er on any or all st ages
• Rigor ous t hr ee-phase calculat ions
When you choose fr ee-wat er calculat ions in t he condenser , only fr ee wat er can be
decant ed fr om t he condenser . You cannot use nonideal for t he Over all Loop
conver gence met hod.
Specify one of t he following on t he Set up Configur at ion sheet :
Valid Phases= On Sheet For
Vapor-Liquid-FreeWaterCondenser Setup
Configuration
Free water in the condenser only
Vapor-Liquid-FreeWaterAnyStage Setup
Configuration
Free water on all stages
Vapor-Liquid-Liquid Setup
Configuration
Rigorous three-phase calculations
For RadFr ac calculat ions, you must also specify which st ages t o t est for t wo
liquid phases on t he Set up 3-Phase sheet .
When you choose complet ely r igor ous t hr ee-phase calculat ions on all st ages
select ed, RadFr ac makes no assumpt ions about t he nat ur e of t he t wo liquid
phases. You can associat e a decant er wit h any st age. You cannot use Sum-Rat es
for t he Over all Loop conver gence met hod.
Effi ci enci es
You can specify one of t wo t ypes of efficiencies:
• Vapor izat ion
• Mur phr ee
Vapor izat ion efficiency is defined as:
Eff
y
K x
i
v i j
i j i j
·
,
, ,
Unit Oper at ion Models 4-21
Ver sion 10
Chapter 4
Mur phr ee efficiency is defined as:
Eff
y y
K x y
i j
M
i j i j
k j i j i j
,
, ,
, , ,
·
− +

+
1
1
Wher e:
K = Equilibr ium K value
x = Liquid mole fr act ion
y = Vapor mole fr act ion
Eff
v
= Vapor izat ion efficiency
Eff
M
= Mur phr ee efficiency
i = Component index
j = St age index
To specify vapor izat ion or Mur phr ee efficiencies, ent er t he number of act ual
st ages on t he Set up Configur at ion sheet . Then use t he Efficiencies for m t o ent er
t he efficiencies.
For t hr ee-phase calculat ions, t he vapor izat ion and Mur phr ee efficiencies you
ent er apply equally t o t he following equilibr ium by default :
• Vapor -liquid1 (VL1E)
• Vapor -liquid2 (VL2E)
You can use t he Efficiencies for m t o ent er separ at e efficiencies for VL1E and
VL2E. You cannot ent er separ at e efficiencies for VL1E and VL2E when you
specify equilibr ium r eact ions or when using Mur phr ee efficiencies.
You can use any of t hese efficiencies t o account for depar t ur e fr om equilibr ium.
But you cannot conver t fr om one efficiency t o t he ot her . Magnit udes of t he
efficiencies can be quit e differ ent . You should manipulat e t he Mur phr ee
efficiency t o mat ch t he oper at ing dat a when:
• Efficiency is unknown
• Act ual column oper at ing dat a ar e available
When manipulat ing t he Mur phr ee efficiency, use design specificat ions on t he
DesignSpecs and Var y for ms. Det ails on using and est imat ing efficiencies ar e
descr ibed by Holland, Fundamentals of Multi-Component Distillation, McGr aw-
Hill Book Company, 1981.
4-22 Unit Oper at ion Models
Ver sion 10
Columns
Algori thms
You can select an algor it hm and/or init ializat ion opt ion for column simulat ion on
t he Conver gence Basic sheet . The default st andar d algor it hm and st andar d
init ializat ion opt ion ar e appr opr iat e for most applicat ions. You can impr ove
conver gence behavior for t he following applicat ions using t he guidelines descr ibed
in t his sect ion:
• Pet r oleum and Pet r ochemical Applicat ions
• Highly Nonideal Syst ems
• Azeot r opic Dist illat ion
• Absor ber s and St r ipper s
• Cr yogenic Applicat ions
To change t he algor it hm and init ializat ion opt ion on t he Conver gence Basic
sheet , you must fir st choose Cust om as t he opt ion in t he Conver gence field on t he
Set up Configur at ion sheet .
Petroleum and Petrochemi cal Appli cati ons
In pet r oleum and pet r ochemical applicat ions involving ext r emely wide-boiling
mixt ur es and/or many component s and design specificat ions, you can impr ove t he
conver gence efficiency and r eliabilit y by choosing Sum-Rat es in t he Algor it hm field
on t he Conver gence Basic sheet .
Hi ghly Noni deal Systems
When liquid phase nonidealit ies ar e except ionally st r ong, choose Nonideal in t he
Algor it hm field on t he Conver gence Basic sheet t o impr ove t he conver gence
behavior . Use t his algor it hm only when t he number of out side loop it er at ions
(using t he st andar d algor it hm) exceeds 25.
You can also use t he Newt on algor it hm for highly nonideal syst ems. Newt on is
bet t er for columns wit h highly sensit ive specificat ions. But it is usually slower ,
especially for columns wit h many st ages and component s.
Azeotropi c Di sti llati on
For azeot r opic dist illat ion applicat ions wher e an ent r aining agent separ at es an
azeot r opic mixt ur e, specify t he following on t he Conver gence Basic sheet :
• Algor it hm, Newt on
• Init ializat ion met hod, Azeot r opic
A classic example of azeot r opic dist illat ion is et hanol dehydr at ion using benzene.
Unit Oper at ion Models 4-23
Ver sion 10
Chapter 4
Absorbers and Stri ppers
To model absor ber s and st r ipper s, specify Condenser =None and Reboiler =None on
t he Set up Configur at ion sheet . The heat dut y is zer o for adiabat ic oper at ion. For
ext r emely wide-boiling mixt ur es, specify one of t he following:
• Algor it hm=Sum-Rat es on t he Conver gence Basic sheet
• Conver gence=St andar d on t he Set up Configur at ion sheet and choose
Absor ber =Yes on t he Conver gence Basic sheet
Cryogeni c Appli cati ons
For cr yogenic applicat ions such as air separ at ion, t he st andar d algor it hm is
r ecommended. To invoke a special init ializat ion pr ocedur e designed for cr yogenic
syst ems, specify Cr yogenic for Init ializat ion on t he Conver gence Basic sheet .
Rati ng Mode
RadFr ac allows t he column t o be oper at ed in a r at ing mode or a design mode.
Rat ing mode r equir es differ ent column specificat ions for t wo- and t hr ee-phase
calculat ions.
For t wo-phase calculat ions, you must ent er t he following on t he Set up For m:
• Valid Phases=Vapor -Liquid or Vapor -Liquid-Fr eeWat er Condenser for
handling fr ee wat er in condenser
• A Tot al, Subcooled, or Par t ial-Vapor condenser
• Two addit ional column oper at ing var iables
If t he condenser or r eflux is subcooled, you can also specify t he degr ees
subcooling or t he subcooled t emper at ur e.
For t hr ee-phase calculat ions, you must specify Valid Phases= Vapor -Liquid-
Liquid or Vapor -Liquid-Fr eeWat er AnySt age (for fr ee wat er calculat ions) on t he
Set up Configur at ion sheet . The r equir ed specificat ions depend on what you
specify for t he r et ur n fr act ions of t he t wo liquid phases (Fr act ion of 1st Liquid
Ret ur ned and Fr act ion of 2nd Liquid Ret ur ned) in t he t op st age decant er . The
following t able list s t he t hr ee specificat ion opt ions:
If you specified this on
Decanters Specifications Enter on Setup Configuration
Fraction of 1st Liquid Returned or Fraction
of 2nd Liquid Returned, or no top decanter
A Total, Subcooled, or Partial-Vapor condenser and two operating
specifications
Fraction of 1st Liquid Returned and
Fraction of 2nd Liquid Returned
A Total, Subcooled, or Partial-Vapor condenser and one operating
specification
Fraction of 1st Liquid Returned and
Fraction of 2nd Liquid Returned
Two operating specifications, and an estimate for the amount of vapor in the
distillate on the Estimates Vapor Composition sheet. RadFrac assumes a
partial condenser with both vapor and liquid distillates.
4-24 Unit Oper at ion Models
Ver sion 10
Columns
Desi gn Mode
RadFr ac allows t he column t o be oper at ed in r at ing mode or design mode. In design
mode, use t he DesignSpecs for m t o specify column per for mance par amet er s (such
as pur it y or r ecover y). You must indicat e which var iables t o manipulat e t o achieve
t hese specificat ions. You can manipulat e any var iables t hat ar e allowed in r at ing
mode, except :
• Number of st ages
• Pr essur e pr ofile
• Vapor izat ion efficiency
• Subcooled r eflux t emper at ur e
• Degr ees of subcooling
• Decant er t emper at ur e and pr essur e
• Locat ions of feeds, pr oduct s, heat er s, pumpar ounds, and decant er s
• Pr essur es of t her mosyphon r eboiler and pumpar ounds
• UA specificat ions for heat er s
The flow r at es of inlet mat er ial st r eams and t he dut ies of inlet heat st r eams can
also be manipulat ed var iables.
These ar e t he design specificat ions:
You can specify For any
Purity Stream including internal streams

Recovery of any components groups Set of product streams, including sidestreams
††
Flow rate of any components groups Internal stream or set of product streams
Temperature Stage
Value of any Prop-Set property Internal or product stream
†††
Ratio or difference of any pair of
Prop-Set properties
Single or paired internal or product streams
Flow ratio of any components groups to any
other component groups
Internal streams to any other internal streams, or to any set of feed or product
streams

Express the purity as the sum of mole, mass, or standard liquid volume fractions of any group of
components relative to any other group of components .
††
Express recovery as a fraction of the same components in any set of feed streams.
†††
See ASPEN PLUS User Guide.
Unit Oper at ion Models 4-25
Ver sion 10
Chapter 4
Reacti ve Di sti llati on
RadFr ac can handle chemical r eact ions. These r eact ions can occur in t he liquid
and/or vapor phase. The det ails about t he r eact ions ar e ent er ed on a gener ic
React ions for m out side RadFr ac. RadFr ac allows t wo differ ent r eact ion model
t ypes: REAC-DIST or USER. RadFrac can model t he following t ypes of react ions:
• Equilibr ium-cont r olled
• Rat e-cont r olled
• Conver sion
• Elect r olyt ic
RadFr ac can also model salt pr ecipit at ion, especially in t he case of elect r olyt ic
syst ems. You can r equest r eact ion calculat ions for t he ent ir e column, or you can
r est r ict r eact ions t o a cer t ain column segment (for example, t o model t he
pr esence of cat alyst ). For t hr ee-phase calculat ions, you can r est r ict r eact ions t o
one of t he t wo liquid phases, or use separ at e r eact ion kinet ics for t he t wo liquid
phases.
To include r eact ions in RadFr ac you must ent er t he following infor mat ion on t he
React ions Specificat ions sheet :
• React ion t ype and React ion/Chemist r y ID
• Column sect ion in which t he r eact ions occur
Depending on t he r eact ion t ype, you must ent er equilibr ium const ant , kinet ic, or
conver sion par amet er s on t he gener ic React ions for m out side RadFr ac. For
elect r olyt ic r eact ions, you can also ent er t he r eact ion dat a on t he React ions
Chemist r y for m out side RadFr ac. To consider salt pr ecipit at ion, ent er t he salt
pr ecipit at ion par amet er s on t he React ions Salt sheet or t he React ions Chemist r y
for m out side RadFr ac.
To associat e r eact ions and salt pr ecipit at ion wit h a column segment , ent er t he
cor r esponding React ions ID (or Chemist r y ID) on t he React ions Specificat ions
sheet .
For r at e-cont r olled r eact ions, you must ent er holdup or r esidence t ime dat a in
t he phase wher e t he r eact ions occur . Use t he React ions Holdups or Residence
Times sheet s. For conver sion r eact ions, use t he React ions Conver sion sheet t o
over r ide t he conver sion par amet er s specified on t he React ions Conver sion for m.
RadFr ac also suppor t s User React ion Subr out ine. The name and ot her det ails of
t he r eact ion subr out ine ar e ent er ed on t he User Subr out ines for m.
Soluti on Strategi es
RadFr ac uses t wo gener al appr oaches for column conver gence:
• Inside-out
• Napt hali-Sandholm
4-26 Unit Oper at ion Models
Ver sion 10
Columns
The st andar d, sum-r at es, and nonideal algor it hms ar e var iant s of t he inside-out
appr oach. The Mult iFr ac, Pet r oFr ac, and Ext r act models also use t his appr oach.
The Newt on algor it hm uses t he classical Napt hali-Sandholm appr oach. Use t he
Conver gence for m t o select t he algor it hm and specify t he associat ed par amet er s.
Insi de-Out Algori thms
The inside-out algor it hms consist of t wo nest ed it er at ion loops.
The K-value and ent halpy models you specify ar e evaluat ed only in t he out side
loop t o det er mine par amet er s of simplified local models. When using nonideal,
algor it hm RadFr ac int r oduces a composit ion dependence int o t he local models.
The local model par amet er s ar e t he out side loop it er at ion var iables. The out side
loop is conver ged when t he changes of t he out side loop it er at ion var iables ar e
sufficient ly small fr om one it er at ion t o t he next . Conver gence uses a combinat ion
of t he bounded Wegst ein met hod and t he Br oyden quasi-Newt on met hod for
select ed var iables.
In t he inside loop, t he basic descr ibing equat ions (component mass balances,
t ot al mass balance, ent halpy balance, and phase equilibr ium) ar e expr essed in
t er ms of t he local physical pr oper t y models. RadFr ac solves t hese equat ions t o
obt ain updat ed t emper at ur e and composit ion pr ofiles. Conver gence uses one of
t he following met hods:
• Bounded Wegst ein
• Br oyden quasi-Newt on
• Schuber t quasi-Newt on
• Newt on
RadFr ac adjust s t he inside loop conver gence t oler ance wit h each out side loop
it er at ion. The t oler ance becomes t ight er as t he out side loop conver ges.
Newton Algori thm
The Newt on algorit hm solves column-describing equat ions simult aneously, using
Newt on’s met hod. The convergence is st abilized using t he dogleg st rat egy of
Powell. Design specificat ions may be solved eit her simult aneously wit h t he column-
descr ibing equat ions or in an out er loop.
Desi gn Mode Convergence
RadFr ac pr ovides t wo met hods for handling design specificat ion conver gence:
• Nest ed conver gence
• Simult aneous conver gence
Unit Oper at ion Models 4-27
Ver sion 10
Chapter 4
Nested Desi gn Spec Convergence (for all algori thms
except SUM-RATES)
The Nest ed Middle Loop conver gence met hod at t empt s t o sat isfy t he design
specificat ions by det er mining t he values of t he manipulat ed var iables (wit hin
t heir bounds) t hat minimize t he weight ed sum of squar es funct ion:
Φ ·

¸
¸

_
,



Wm
Gm GM
G
m m
*
2
Wher e:
m
= Design specificat ion number
G

= Calculat ed value
G
= Desir ed value
G*
= Scaling fact or
w
= Weight ing fact or
The algor it hm t hat manipulat es t he var iables t o minimize Φdoes not depend on
mat ching par t icular var iables wit h cor r esponding design specificat ions. You
should car efully select t he manipulat ed var iables and design specificat ions. Make
sur e t hat each manipulat ed var iable has a significant effect on at least one
design specificat ion.
The number of design specificat ions must be equal t o or gr eat er t han t he number
of manipulat ed var iables. If t her e ar e mor e design specificat ions t han
manipulat ed var iables, assign weight ing fact or s t o r eflect t he r elat ive impor t ance
of t he specificat ions. The lar ger t he weight ing fact or , t he mor e near ly a
specificat ion will be sat isfied. Scale fact or s nor malize t he er r or s, so t hat differ ent
specificat ion t ypes ar e compar ed on a consist ent basis.
When a value of a manipulat ed var iable r eaches a bound, t hat bound is act ive. If
a pr oblem has no act ive bounds and t he same number of manipulat ed var iables
as design specificat ions, t hen Φwill appr oach zer o (wit hin some t oler ance) when
all specificat ions ar e sat isfied.
If t her e ar e act ive bounds or mor e design specificat ions t han manipulat ed
var iables, RadFr ac minimizes Φ. The weight ing fact or s det er mine t he r elat ive
degr ee t o which t he design specificat ions ar e sat isfied.
4-28 Unit Oper at ion Models
Ver sion 10
Columns
Si multaneous Desi gn Spec Convergence (for
Algori thm=SUM-RATES, NEWTON)
The Simult aneous Middle Loop conver gence met hod algor it hm solves t he design
specificat ion funct ions simult aneously wit h t he column-descr ibing equat ions:
Fm
Gm GM
G
m
·

¸
¸

_
,

·

*
0
Because t he Simult aneous Middle Loop conver gence met hod uses an equat ion-
solving appr oach, t her e must be an equal number of design specificat ions and
manipulat ed var iables. In t he nest ed met hod, no coupling is assumed bet ween
design specificat ions and manipulat ed var iables. However , each design
specificat ion must be significant ly affect ed by at least one manipulat ed var iable.
Bounds and weight ing fact or s ar e not used. In gener al, t he Simult aneous met hod
gives bet t er per for mance if all t he specificat ions ar e feasible.
Physi cal Properti es
To over r ide t he global physical pr oper t y met hod, use t he Pr oper t ies
Pr oper t ySect ions sheet . You can specify differ ent physical pr oper t ies for differ ent
par t s of t he column.
For t hr ee-phase calculat ions, you can specify separ at e calculat ion met hods for
Vapor -Liquid1 Equilibr ium (VL1E) and Liquid1-Liquid2 Equilibr ium (LLE). Use
one of t he following met hods:
• Associat e separ at e pr oper t y met hods wit h VL1E and LLE using t he Phase
Equilibr ium list box
• Calculat e VL1E using a pr oper t y met hod. Specify LLE using liquid-liquid
dist r ibut ion (KLL) coefficient s
You can use t he Pr oper t ies KLLSect ions sheet t o ent er t he KLL coefficient s using
a built -in t emper at ur e polynomial, and associat e t he coefficient s wit h one or
mor e column segment s. Or you can use t he Pr oper t ies KLLCor r elat ions sheet t o
associat e a user -KLL subr out ine wit h one or mor e column segment s.
Soli ds Handli ng
RadFr ac has t wo met hods for handling iner t solids:
• Over all-balance
• St age-by-st age
Unit Oper at ion Models 4-29
Ver sion 10
Chapter 4
Use t he Solids handling opt ion on t he Conver gence Basic sheet t o select eit her an
over all balance or st age-by-st age. The t wo met hods differ in how t hey t r eat solids
in t he mass and ener gy balances. Neit her met hod consider s iner t solids in t he
phase equilibr ium calculat ions. However , salt s for med by salt pr ecipit at ion
r eact ions (see React ive Dist illat ion) ar e consider ed in phase equilibr ium
calculat ions.
The over all-balance met hod:
• Tempor ar ily r emoves all solids fr om inlet st r eams
• Per for ms column calculat ions wit hout solids
• Adiabat ically mixes solids r emoved fr om inlet st r eams wit h liquid pr oduct
fr om t he bot t om st age
The over all-balance met hod maint ains an over all mass and ener gy balance
ar ound t he column. But it does not sat isfy individual st age balances. This is t he
default met hod.
The st age-by-st age met hod t r eat s solids r igor ously in all st age mass and ener gy
balances. The r at io of liquids t o solids on a st age is maint ained in t he pr oduct
st r eams wit hdr awn fr om t hat st age. The specified pr oduct flow is t he t ot al flow
r at e of t he st r eam, including t he solids. If a nonconvent ional (NC) solids
subst r eam is pr esent in t he column feeds, you must give all column flow and flow
r at io specificat ions on a mass basis.
When you specify a decant er , RadFr ac can decant t he solids par t ially or t ot ally.
By default , RadFr ac decant s t he solids par t ially along wit h t he second liquid
phase. RadFr ac uses t he r et ur n fr act ion you specify for t he second liquid phase
(Fr act ion of 2nd Liquid Ret ur ned on t he Decant er s Specificat ions sheet ) t o decant
t he solids. If t her e is no second liquid phase in t he decant er , RadFr ac decant s t he
solids par t ially along wit h t he fir st liquid phase. RadFr ac uses t he r et ur n
fr act ion you specify for t he fir st liquid phase (Fr act ion of 2nd Liquid Ret ur ned on
t he Decant er s Specificat ions sheet ) in t his case. You can r equest complet e
decant ing of t he solids by select ing Decant Solids Tot ally on t he Decant er s
Opt ions sheet .
4-30 Unit Oper at ion Models
Ver sion 10
Columns
Multi Frac
Rigorous Fractionation
Mult iFr ac is a r igor ous model for simulat ing gener al syst ems of int er linked
mult ist age fr act ionat ion unit s. Mult iFr ac models can handle a complex
configur at ion consist ing of:
• Any number of columns, each wit h any number of st ages
• Any number of connect ions bet ween columns or wit hin each column
• Ar bit r ar y flow split t ing and mixing of connect ing st r eams
Mult iFr ac can handle oper at ions wit h:
• Side st r ipper s
• Pumpar ounds
• Ext er nal heat exchanger s
• Single-st age flashes
• Feed fur nace
Typical Mult iFr ac applicat ions include:
• Heat -int er st aged columns, such as Pet lyuk t ower s
• Air separ at ion column syst ems
• Absor ber /st r ipper combinat ions
• Et hylene plant pr imar y fr act ionat or /quench t ower combinat ions
You can also use Mult iFr ac for pet r oleum r efining fr act ionat ion unit s such as
at mospher ic cr ude unit s and vacuum unit s. But for t hese applicat ions, Pet r oFr ac
is mor e convenient t o use. Use Mult iFr ac only when t he configur at ion is beyond
t he capabilit ies of Pet r oFr ac.
Mult iFr ac can det ect a fr ee-wat er phase in t he condenser or anywher e in t he
column. It can decant t he fr ee-wat er phase on any st age.
Alt hough Mult iFr ac assumes equilibr ium st age calculat ions, you can specify
eit her Mur phr ee or vapor izat ion efficiencies.
You can use Mult iFr ac for bot h sizing and r at ing t r ays and packings. Mult iFr ac
can model bot h r andom and st r uct ur ed packings.
Unit Oper at ion Models 4-31
Ver sion 10
Chapter 4
Flowsheet Connecti vi ty for MultiFrac
Nstage
Top Stage
or Condenser
Heat Duty
(optional)
Feeds
Heat
Heat
Heat (optional)
Vapor Distillate
Side Products (optional)
Interconnecting Streams
(Heater Optional)
Bottoms
(or Interconnecting
Stream)
Liquid Distillate (optional)
Water Distillate (optional)
Pumparounds
and Bypasses
(Heater Optional)
Bottom Stage or
Reboiler Heat Duty
(optional)
Interconnecting Streams
(Heater Optional)
Heat (optional)
Top Stage
or Condenser
Heat Duty
(optional)
Feeds
Heat
Heat
Heat (optional)
Vapor Distilate
Side Products (optional)
Interconnecting Streams
(Heater Optional)
Bottoms
(or Interconnecting
Stream)
Liquid Distillate (optional)
Water Distillate (optional)
Pumparounds
and Bypasses
(Heater Optional)
Bottom Stage or
Reboiler Heat Duty
(optional)
Interconnecting Streams
(Heater Optional)
Heat (optional)
Reflux
1
1
Nstage
Nstage
4-32 Unit Oper at ion Models
Ver sion 10
Columns
Material Streams
Inlet At least one inlet mat er ial st r eam
Outlet Any number of opt ional pseudo-pr oduct st r eams
Up t o t hr ee opt ional out let mat er ial st r eams per st age (one vapor , one
liquid, and one fr ee wat er )
You can connect any number of columns by any number of connect ing st r eams. For
each column, any number of connect ing st r eams can r epr esent pumpar ounds and
bypasses. These st r eams can flow bet ween any t wo st ages, or t o t he same st age.
Each connect ing st ream can have an associat ed heat er.
Each column must have one liquid pr oduct or connect ing st r eam leaving t he
bot t om st age. The t op st age of t he main column (column 1) must have a pr oduct
st r eam, which cannot be a connect ing st r eam. The t op st age of t he ot her columns
(column 2, 3, ...) must have a vapor pr oduct or a vapor connect ing st r eam.
The pseudopr oduct st r eams r epr esent column int er nal flows and connect ing
st r eam flows.
Heat Streams
Inlet One inlet heat st r eam per st age (opt ional)
One inlet heat st r eam per connect ing st r eam (opt ional)
Outlet One out let heat st r eam per connect ing st r eam (opt ional)
Mult iFr ac uses an inlet heat st r eam as a dut y specificat ion for all st ages except t he
condenser , r eboiler , and connect ing st r eams. If you do not pr ovide t wo column
oper at ing specificat ions on t he Columns Set up Configur at ion sheet , Mult iFr ac uses
a heat st r eam as a specificat ion for t he condenser and r eboiler .
If you do not pr ovide t wo specificat ions on t he Connect St r eams for m, Mult iFr ac
uses a heat st r eam as a specificat ion for connect ing st r eams.
If you pr ovide t wo specificat ions on t he Columns Set up Configur at ion sheet or
Connect St r eams for m, Mult iFr ac does not use t he inlet heat st r eam as a
specificat ion. The inlet heat st r eam supplies t he r equir ed heat ing or cooling.
You can use opt ional out let heat st r eams for t he net heat dut y of t he condenser ,
r eboiler , and connect ing st r eams. The value of t he out let heat st r eam equals t he
value of t he inlet heat st r eam (if any), minus t he act ual (calculat ed) heat dut y.
Unit Oper at ion Models 4-33
Ver sion 10
Chapter 4
Speci fyi ng Multi Frac
Individual columns ar e ident ified by column number s. The number ing or der does
not affect algor it hm per for mance. Column 1 has differ ent specificat ions fr om t he
ot her columns. Wit hin each column, t he st ages ar e number ed fr om t he t op down,
st ar t ing wit h t he condenser .
Use t he following for ms t o ent er specificat ions and view r esult s for Mult iFr ac:
Use this form To do this
Columns Setup Specify basic column configuration and operating conditions
Columns HeatersCoolers Specify interstage heaters/coolers
Columns FlowSpecs Specify liquid and vapor flow specifications
Columns Efficiencies Specify stage or component efficiencies
Columns Properties Specify physical property parameters for column sections
Columns Estimates Specify initial estimates for stage temperatures, and vapor and liquid flows and
compositions
Columns Results View column summary
Columns Profiles View column profiles
InletsOutlets Specify inlet and outlet material and heat stream locations
ConnectStreams Specify sources and destinations of connecting material and heat streams, view connecting
stream results
FlowRatios Specify stream flow ratios
DesignSpecs Specify design specifications, and view convergence results
Vary Specify manipulated variables to satisfy design specifications and view final values
CondenserHcurves Specify condenser heating or cooling curve tables and view tabular results
ReboilerHCurves Specify reboiler heating or cooling curve tables and view tabular results
ConnectStreamHCurves Specify connecting stream heating or cooling curve tables and view tabular results
TraySizing Specify sizing parameters for tray column sections, and view results
TrayRating Specify rating parameters for tray column sections, and view results
PackSizing Specify sizing parameters for packed column sections, and view results
PackRating Specify rating parameters for packed column sections, and view results
Convergence Specify convergence parameters for column calculations, and block-specific diagnostic
message levels
Report Specify block-specific report options and pseudostream information
BlockOptions Override global values for physical properties, simulation options, diagnostic message
levels, and report options for this block
UserSubroutines Specify user subroutine parameters for tray sizing and rating, and packing sizing and rating
ResultsSummary View results of balances and splits
4-34 Unit Oper at ion Models
Ver sion 10
Columns
Stream Definitions
Mult iFr ac uses four t ypes of st r eams:
• Ext er nal st r eams
• Connect ing st r eams
• Int er nal st r eams
• Pseudost r eams
Ext er nal st r eams ar e st andar d Mult iFr ac inlet and out let st r eams. They ar e
ident ified by st r eam IDs.
Connect ing st r eams ar e wit hin Mult iFr ac but ext er nal t o individual columns.
They can connect t wo columns, or st ages of t he same column (bypasses and
pumpar ounds). You can associat e a heat er wit h any connect ing st r eam.
Connect ing st r eam heat er s ar e ident ified by connect ing st r eam number s.
Int er nal st r eams ar e liquid or vapor flows bet ween adjacent st ages of t he same
column. An int er nal st r eam is ident ified by a sour ce st age number and a column
number .
Pseudost r eams st or e t he r esult s of int er nal and connect ing st r eams. They ar e a
subset of ext er nal out let st r eams. Unlike nor mal out let st r eams, pseudost r eams
do not par t icipat e in block mass balance calculat ions.
Required Specifications
Follow t hese guidelines when ent er ing specificat ions for column 1:
• The number of st ages must be gr eat er t han 1
• Two addit ional oper at ing specificat ions ar e r equir ed
• The dist illat e flow may not be a connect ing st r eam
You must specify:
• Bot t oms r at e or dist illat e r at e. The dist illat e r at e includes bot h t he vapor and
liquid dist illat e flows
• Eit her condenser dut y, r eboiler dut y, r eflux r at io or r eflux r at e
• Dist illat e vapor fr act ion or condenser t emper at ur e
If you specify t he condenser st age t emper at ur e:
• Bot h liquid and vapor dist illat e pr oduct s must be pr esent (dist illat e vapor
fr act ion is gr eat er t han 0 or less t han 1)
• You must also specify an est imat e for t he dist illat e vapor fr act ion
Unit Oper at ion Models 4-35
Ver sion 10
Chapter 4
Follow t hese guidelines when ent er ing specificat ions for ot her columns:
• The number of st ages can be 1 (for example, t o model a single-st age flash or
feed fur nace)
• The dist illat e can be a connect ing st r eam
• Mult iFr ac calculat es t he dist illat e vapor fr act ion
• The dist illat e r at e includes only t he vapor dist illat e flow and must be gr eat er
t han zer o. If a liquid dist illat e is pr esent , specify flow on t he Inlet sOut let s
for m.
For columns wit h mor e t han one st age, you may specify condenser dut y, r eboiler
dut y, bot t oms r at e, dist illat e r at e, and r eflux r at e.
For columns wit h one st age, you must specify eit her :
• Bot t oms r at e
• Dist illat e r at e (includes only t he vapor dist illat e)
• Condenser dut y
Feed Stream Conventions
Mult iFr ac pr ovides t wo convent ions for handling feed st r eams (see Mult iFr ac Feed
Convent ion Above-St age and Mult iFr ac Feed Convent ion On-St age in t he following
figur es):
• Above-St age
• On-St age
When Feed-Convent ion is Above-St age, Mult iFr ac int r oduces a mat er ial st r eam
bet ween adjacent st ages. The liquid por t ion flows t o t he st age (n) you specify. The
vapor por t ion flows t o t he st age above (n – 1). You can int r oduce a liquid feed t o
t he t op st age (or condenser ) by specifying St age=1. You can int r oduce a vapor
feed t o t he bot t om st age (or r eboiler ) by specifying St age=Number of st ages + 1.
Vapor
Liquid
n - 1
Mixed feed
to stage n
MultiFrac Feed Convention Above-Stage
4-36 Unit Oper at ion Models
Ver sion 10
Columns
n - 1
n + 1
n
Mixed feed
to stage n
MultiFrac Feed Convention On-Stage
When Feed-Convent ion is On-St age, bot h t he liquid and vapor por t ions of a feed
flow t o t he st age (n) you specify.
Connecting Streams
Mult iFr ac allows any number of connect ing st r eams. Any number of t hese st r eams
can have t he same:
• Sour ce column, st age, and phase
• Dest inat ion column and st age
Mult iFr ac int r oduces connect ing st r eams on t he dest inat ion st age r egar dless of
t heir phase (t hat is, Feed Convent ion=On-St age). All connect ing st r eams can
have a heat er wit h heat dut y, t emper at ur e, or t emper at ur e change specified. Use
t he Connect St r eams for m t o ent er all specificat ions for connect ing st r eams.
Each t er minal st r eam can be t he sour ce of a pr oduct st r eam and any number of
connect ing st r eams. If t her e is no pr oduct st r eam, at least one connect ing st r eam
must have an unspecified flow.
For a connect ing st r eam, r equir ed specificat ions depend on whet her t he st r eam:
• Has a flow r at e t hat is fixed indir ect ly on t he FlowRat ios or Columns
FlowSpecs for m
• Is a t er minal st r eam
• Is a pumpar ound t o t he t op st age of column 1
Unit Oper at ion Models 4-37
Ver sion 10
Chapter 4
For this type of connecting
stream You must specify
One that does not satisfy the
above conditions
Two of the following: flow, temperature (or temperature change), and duty

One whose flow is fixed
indirectly on the FlowRatios or
Columns FlowSpecs form
Either temperature (or temperature change), or duty

A terminal stream (vapor
distillate or liquid bottoms)
Either temperature (or temperature change) or duty


Duty can default to 0 if necessary.
You can ent er a second specificat ion. If t his specificat ion is missing, Mult iFr ac
uses t he net flow fr om t he st age excluding any ot her connect ing st r eam wit h flow
specificat ions.
For a connect ing st r eam t hat is t he liquid pumpar ound t o t he t op st age of column
1, ent er t wo of t he following:
• Flow
• Temper at ur e (or t emper at ur e change)
• Dut y (specify 0 if t her e is no associat ed heat er or cooler )
If you ent er only one of flow, t emper at ur e, or t emper at ur e change, Mult iFr ac
uses t he t op st age dut y for t he missing r equir ement .
When a st age is t he dest inat ion of a connect ing st r eam, Mult iFr ac uses t he heat
dut y associat ed wit h t he st age t o det er mine t he t emper at ur e of t he connect ing
st r eam. When you ent er t he dut y, t emper at ur e, or t emper at ur e change of t he
connect ing st r eam, t he st age dut y does not affect t he connect ing st r eam
t emper at ur e. St age dut y is pr oper ly account ed for in t he st age ent halpy
calculat ions.
When a pumpar ound, bypass, or ot her connect ing st r eam has a specified
t emper at ur e change or out let t emper at ur e, Mult iFr ac assumes t hat t he specific
value does not r esult in a phase change of any fr act ion of t he st r eam. When you
specify heat dut y, a phase change may occur .
Connect ing st r eams can be eit her a t ot al or par t ial dr awoff of t he st age flow.
Mult iFr ac det er mines t he dr awoff t ype based on t he number of specificat ions you
give.
If the drawoff type is You enter
Partial Two of the following: flow, temperature, temperature change, and heat duty

Total One of the following: temperature, temperature change, and heat duty
††

Enter zero for heat duty if heater is absent.
††
Flow rate is taken as the net flow of the stage, excluding any product flow and any other connecting
stream flow.
4-38 Unit Oper at ion Models
Ver sion 10
Columns
Mult iFr ac allows t ot al dr awoff only for t he t op vapor st r eam and bot t om liquid
st r eam. For par t ial dr awoffs you can specify t he flow r at e. Or Mult iFr ac can
det er mine t he flow r at e based on one of t he following:
• Anot her flow specificat ion (Columns FlowSpecs for m)
• A flow r at io specificat ion (FlowRat ios for m)
If you ent er only one specificat ion for pumpar ounds t o t he t op st age of t he main
column, Mult iFr ac uses t he t op st age heat dut y as t he second specificat ion.
When a connect ing st r eam has a specified t emper at ur e or t emper at ur e change,
Mult iFr ac assumes t he specified value does not r esult in a phase change of any
fr act ion of t he st r eam. When you specify t he heat dut y, a phase change can occur .
Heaters
Use t he Columns Heat er sCooler s for m t o ent er heat er st age locat ions and dut ies.
You can specify heat er s indir ect ly by choosing a heat er dut y as t he adjust ed
var iable in one of t he following for ms:
Form Used to specify
Columns FlowSpecs Stage liquid or vapor flow rate
FlowRatios Vapor-to-liquid flow ratio
Flow Rate Specifications
You can use t he Columns FlowSpecs for m t o specify any st age liquid and vapor
flow r at es. The value you specify r efer s t o t he net flow of t he st age liquid or vapor
flow. This value excludes any por t ions wit hdr awn by side pr oduct s and ot her
connect ing st r eams wit h flow specificat ions. This feat ur e is t ypically used for
specifying:
• Int er nal r eflux r at e or t ot al int er nal dr awoff
• Over flash in r efining applicat ions
• Boilup r at e
For a t er minal st r eam, flow specificat ions r efer t o t he net flow of t he st r eam
excluding any por t ion wit hdr awn by connect ing st r eams wit h flow specificat ions.
Flow specificat ions include:
• Specificat ions pr ovided on t he Connect St r eams for m
• Specificat ions fixed by t he associat ed heat er specificat ions
• Anot her FlowSpecs or FlowRat ios specificat ion
For an int er nal st r eam, flow specificat ions r efer t o t he net flow of t he st r eam
excluding any por t ions wit hdr awn as pr oduct s or connect ing st r eams.
Unit Oper at ion Models 4-39
Ver sion 10
Chapter 4
When you ent er a flow specificat ion, Mult iFr ac adjust s t he flow r at e of a
connect ing st r eam or t he dut y of a heat er .
If the adjusted variable is You enter the
A connecting stream flow Connecting stream number in the IC-Stream field
A heater duty Heater column and stage numbers
You can place t he calculat ed heat dut y in an out let heat st r eam using t he
Inlet sOut let s for m. Init ial est imat es for adjust ed var iables ar e not r equir ed.
If a pr oduct or connect ing st r eam of t he same phase is leaving t he st age, a
specified value may be zer o t o model a t ot al dr awoff .
Mult iFr ac will var y t he heat dut y associat ed wit h t he heat er of t he same st age or
anot her st age or t he flow r at e of an associat ed connect ing st r eam t o sat isfy
ent halpy and mass balances.
If this will be varied You must specify
Heat duty Q-Column and Stage
Flow rate of a connecting
stream
Stream number (IC-Stream)
Be caut ious when select ing t he:
• Associat ed st age wit h var ied heat dut y
• Connect ing st r eam wit h var ied flow r at e
An init ial guess for t he associat ed heat dut y is not r equir ed.
4-40 Unit Oper at ion Models
Ver sion 10
Columns
Flow Ratio Specifications
Use t he FlowRat ios for m t o specify t he r at io of t wo flow r at es. The flows can be of
differ ent phases, and come fr om any st age of any column. This feat ur e is t ypically
used for specifying t he:
• Int er nal r eflux r at io
• Over flash in r efining applicat ions
• Boilup r at io
For a t er minal st r eam, t he flows r efer t o t he net flow of a st r eam, excluding any
por t ion wit hdr awn by connect ing st r eams wit h flow specificat ions. Flow
specificat ions include t hose:
• Specified on t he Connect St r eams for m
• Fixed by eit her t he associat ed heat er specificat ion, anot her Columns
FlowSpecs sheet , or a FlowRat ios Specificat ions sheet )
For an int er nal st r eam, t he flows r efer t o t he net flow of t he st r eam, excluding
any por t ion wit hdr awn as pr oduct s or connect ing st r eams. When you specify a
flow r at io, t hese will be var ied t o sat isfy ent halpy and mass balances:
• Heat dut y of t he same st age or anot her st age
• Flow r at e of an associat ed connect ing st r eam
When you ent er a flow r at io specificat ion, Mult iFr ac adjust s t he flow r at e of a
connect ing st r eam or t he dut y of a heat er .
If the adjusted variable is You enter the
A connecting stream flow Connecting stream number in the IC-Stream field
A heater duty Heater column and stage numbers
You can place t he calculat ed heat dut y in an out let heat st r eam using t he
Inlet sOut let s for m. Init ial est imat es for t hese adjust ed var iables ar e not
r equir ed.
Be caut ious when select ing t he:
• Associat ed st age wit h var ied heat dut y
• Connect ing st r eam wit h var ied flow r at e
Unit Oper at ion Models 4-41
Ver sion 10
Chapter 4
Effi ci enci es
You can specify one of t wo t ypes of efficiencies:
• Vapor izat ion
• Mur phr ee
Vapor izat ion efficiency is defined as:
Eff
y
K x
i
v i j
i j i j
·
,
, ,
Mur phr ee efficiency is defined as:
Eff
y y
K x y
i j
M i j i j
i j i j i j
,
, ,
, , ,
·


+
+
1
1
Wher e:
K = Equilibr ium K value
x = Liquid mole fr act ion
y = Vapor mole fr act ion
Eff
v
= Vapor izat ion efficiency
Eff
M
= Mur phr ee efficiency
i = Component index
j = St age index
To specify vapor izat ion or Mur phr ee efficiencies, ent er t he number of act ual
st ages on t he Columns Set up Configur at ion sheet . Then use t he Columns
Efficiencies for m t o ent er t he efficiencies.
You can use any of t hese efficiencies t o account for depar t ur e fr om equilibr ium.
But you cannot conver t fr om one efficiency t o t he ot her . Magnit udes of t he
efficiencies can be quit e differ ent . Det ails on using and est imat ing t hese
efficiencies ar e descr ibed by Holland, Fundamentals of Multi-Component
Distillation, McGr aw-Hill Book Company, 1981.
4-42 Unit Oper at ion Models
Ver sion 10
Columns
Algori thms
Mult iFr ac has t hr ee conver gence algor it hms. Use t he Over all field on t he
Conver gence Met hods sheet t o select t he algor it hm. The default st andar d
algor it hm is appr opr iat e for most applicat ions. Your choice of algor it hm depends
on t he t ypes of syst ems you ar e modeling:
Application Algorithm
Air separation Standard
Close-boiling, e.g., C3 splitter Standard
Wide-boiling, e.g., absorbers Sum-Rates
Petroleum refining, e.g., crude unit Sum-Rates
Ethylene plant primary fractionator Sum-Rates
Highly-nonideal, e.g., azeotropic Newton
Highly-coupled design specifications Sum-rates or Newton
Rati ng Mode
In r at ing mode, Mult iFr ac calculat es column pr ofiles and pr oduct composit ions
based on specified values of column par amet er s. Examples of column par amet er s
ar e r eflux r at io, r eboiler dut ies, and feed flow r at es.
Desi gn Mode
In design mode, use t he DesignSpecs for m t o specify column per for mance
par amet er s (such as pur it y or r ecover y). You must indicat e which var iables t o
manipulat e t o achieve t hese specificat ions using t he Var y for m. You can specify
any var iables t hat ar e allowed in r at ing mode, except :
• Number of st ages
• Pr essur e pr ofile
• Efficiencies
• Subcooled r eflux t emper at ur e
• Degr ees of subcooling
• Locat ions of feeds, pr oduct s, heat er s, and connect ing st r eams
Unit Oper at ion Models 4-43
Ver sion 10
Chapter 4
The flow r at es of inlet mat er ial st r eams and t he dut ies of inlet heat st r eams can
also be manipulat ed var iables.
You can specify For any
Purity Stream, including an internal stream

Recovery of any component groups Set of product streams
††
Flow rate of any component groups Internal stream or set of product streams
Temperature Stage
Heat duty Stage or connecting stream
Heat duty ratio Stage or connecting stream to any other stage or connecting stream
Value of any Prop-Set property Internal or product stream
†††
Ratio or difference of any pair of properties in
a Prop-Set
Single or paired internal or product stream
Flow ratio of any component groups to any
other component groups
First group can be in any internal streams
††††

Express the purity as the sum of mole, mass, or standard liquid volume fractions of any group of
components, relative to any other group of components.
††
You can express recovery as a fraction of the same components in a subset of the feed stream.
†††
S ee ASPEN PLUS User Guide.
††††
The second group can be in any other internal streams, or set of feed or product streams.
Column Convergence
Mult iFr ac uses t he inside-out appr oach for column conver gence. You can choose
fr om t wo algor it hm var iant s of t his appr oach:
• St andar d
• Sum-r at es
To select an algor it hm, use t he Over all field on t he Conver gence Met hods sheet .
The st andar d algor it hm uses t he st andar d inside-out for mulat ion for t he inside
loop. It uses eit her t he nest ed or simult aneous appr oach (specified as t he Middle
loop met hod on t he Conver gence Met hods sheet ) t o conver ge t he design
specificat ions. This algor it hm is appr opr iat e for most syst ems.
The sum-r at es algor it hm uses:
• A sum-r at es var iant for mulat ion for t he inside loop
• The simult aneous appr oach t o conver ge t he design specificat ions
4-44 Unit Oper at ion Models
Ver sion 10
Columns
Sum-r at es is well suit ed for :
• Wide-boiling syst ems
• Columns wit h st eep flow gr adient s
Mult iFr ac also has t he Newt on algor it hm, which uses a Napt hali-Sandholm
for mulat ion. It solves t he column-descr ibing equat ions and design specificat ions
simult aneously, using Newt on’s met hod. This met hod can enhance conver gence
for highly-nonideal syst ems, such as azeot r opic dist illat ion. The Newt on
algor it hm is gener ally slower t han t he ot her algor it hms.
Desi gn Speci fi cati on Convergence
Mult iFr ac pr ovides t wo met hods for handling design specificat ion conver gence:
• Nest ed middle loop
• Simult middle loop
When you use t he nest ed middle loop met hod, t he algor it hm at t empt s t o sat isfy
t he design specificat ions by det er mining t he values of t he manipulat ed var iables
(wit hin t heir bounds) t hat minimize t he weight ed sum of squar es funct ion:
Φ ·

¸
¸

_
,


m
m
w
G G
G
^
**
2
Wher e:
m = Design specificat ion number
$
G
= Calculat ed value
G = Desir ed value
G
**
= Scaling fact or
w = Weight ing fact or
For pur it y and r ecover y,
$
G and G ar e t r ansfor med by t aking t he logar it hm, and
G
**
is t aken as unit y.
When you use t he simult middle loop met hod, t he following algor it hm solves t he
design specificat ion funct ions simult aneously wit h t he column descr ibing
equat ions:
( )
F G G G
m m m m
· − ·
$
/
**
0
Unit Oper at ion Models 4-45
Ver sion 10
Chapter 4
The weight ing fact or is not available for t his met hod.
You can handle design specificat ion conver gence by using eit her scaling fact or s or
weight ing fact or s. The following algor it hm at t empt s t o sat isfy design
specificat ions by det er mining t he values of t he manipulat ed var iables (wit hin
t heir bounds) t hat minimize t he weight ed sum of squar es funct ion:
Φ ·

¸
¸

_
,


m
m
w
G G
G
$
**
2
Wher e:
m = Design specificat ion number
$
G
= Calculat ed value
G = Desir ed value
G
**
= Scaling fact or
w = Weight ing fact or
Initialization
Use Init ializat ion Met hod on t he Conver gence Met hods sheet t o choose t he
init ializat ion met hod.
Mult iFr ac has t wo init ializat ion pr ocedur es:
• St andar d
• Cr ude
St andar d is appr opr iat e for most syst ems. You must ent er at least t he t op and
bot t om t emper at ur e est imat es for each column.
Cr ude invokes a special init ializat ion pr ocedur e designed for pet r oleum r efining
and et hylene plant pr imar y fr act ionat or /quench t ower applicat ions. This
pr ocedur e is designed for syst ems consist ing of a main column connect ed t o any
number of sidest r ipper s. If you specify t he following infor mat ion on t he Columns
Set up and/or Columns FlowSpecs for ms, you do not need t o pr ovide est imat es:
• All st r ipper bot t oms flow r at es
• Eit her t he dist illat e or bot t oms flow r at e of t he main column
Ot her wise, you must ent er at least t he t op and bot t om t emper at ur e est imat es for
each column. You may ent er pr ofile est imat es on t he Columns Est imat es for m t o
enhance conver gence. Temper at ur e est imat es ar e usually adequat e. Highly
nonideal syst ems may r equir e composit ion est imat es.
4-46 Unit Oper at ion Models
Ver sion 10
Columns
Physi cal Properti es
Use t he BlockOpt ions for m t o over r ide t he global physical pr oper t y met hod. You
can specify a single pr oper t y met hod on t he BlockOpt ions for m. Mult iFr ac uses t his
pr oper t y met hod for all st ages in all columns.
Use t he Columns Pr oper t ies for m t o specify physical pr oper t y met hods when you
use a separ at e pr oper t y met hod for an individual column. You can also split a
column int o any number of segment s, each using a differ ent pr oper t y met hods.
Free Water Handli ng
Mult iFr ac can per for m fr ee-wat er calculat ions. By default , Mult iFr ac per for ms
fr ee-wat er calculat ions for t he main column condenser . The fr ee-wat er phase, if
pr esent , is decant ed.
Use t he Columns Pr oper t ies for m t o r equest fr ee-wat er calculat ions for
addit ional st ages in any column. You can define addit ional wat er decant pr oduct
st r eams on t he Inlet sOut let s for m. You can use t his capabilit y t o simulat e t he
pr imar y fr act ionat or /quench t ower combinat ion of an et hylene plant .
Soli ds Handli ng
Mult iFr ac handles solids by:
• Tempor ar ily r emoving all solids fr om inlet st r eams
• Per for ming calculat ions wit hout solids
• Adiabat ically mixing solids r emoved fr om inlet st r eams wit h main column
liquid bot t oms
This calculat ion appr oach maint ains an over all mass and ener gy balance ar ound
t he Mult iFr ac block. But t he bot t om st age liquid pr oduct will not be in exact
t her mal or phase equilibr ium wit h ot her bot t om st age flows (for example, t he
bot t om st age vapor flow).
Unit Oper at ion Models 4-47
Ver sion 10
Chapter 4
Si zi ng and Rati ng of Trays and Packi ngs
Mult iFr ac has ext ensive capabilit y t o size, r at e, and per for m pr essur e dr op
calculat ions for t r ayed and packed columns. Use t he following for ms t o ent er
specificat ions:
• Tr aySizing
• Tr ayRat ing
• PackSizing
• PackRat ing
See Appendix A for det ails on t r ay and packing t ypes and cor r elat ions.
4-48 Unit Oper at ion Models
Ver sion 10
Columns
PetroFrac
Rigorous Fractionation
Pet r oFr ac is a r igor ous model designed for simulat ing all t ypes of complex vapor -
liquid fr act ionat ion oper at ions in t he pet r oleum r efining indust r y. Typical
oper at ions include:
• Pr eflash t ower
• At mospher ic cr ude unit
• Vacuum unit
• Cat alyt ic cr acker main fr act ionat or
• Delayed coker main fr act ionat or
• Vacuum lube fr act ionat or
You also can use Pet r oFr ac t o model t he pr imar y fr act ionat or /quench t ower
combinat ion in t he quench sect ion of an et hylene plant . Pet r oFr ac can det ect a
fr ee-wat er phase in t he condenser or anywher e in t he column. It can decant t he
fr ee-wat er phase on any st age. Alt hough Pet r oFr ac assumes equilibr ium st age
calculat ions, you can specify eit her Mur phr ee or vapor izat ion efficiencies. You
can use Pet r oFr ac t o size and r at e columns consist ing of t r ays and/or packings.
Pet r oFr ac can model bot h r andom and st r uct ur ed packings.
Unit Oper at ion Models 4-49
Ver sion 10
Chapter 4
Flowsheet Connecti vi ty for PetroFrac
Pet r oFr ac models column configur at ions consist ing of a main column wit h any
number of pumpar ounds and side st r ipper s. You can specify a feed fur nace. For
single columns wit hout pumpar ounds and side st r ipper s, use RadFr ac. For ot her
mult icolumn syst ems such as air separ at ion syst ems, Pet lyuk t ower s, and
complex pr imar y fr act ionat or s, use Mult iFr ac.
Material Streams
Inlet At least one inlet mat er ial st r eam
One st eam feed per st r ipper (opt ional)
Outlet One vapor or liquid dist illat e, or bot h
One fr ee wat er dist illat e st r eam (opt ional)
One bot t oms pr oduct fr om t he main column
Any number of side pr oduct s fr om main column (opt ional)
Any number of wat er decant pr oduct s fr om main column (opt ional)
One bot t oms pr oduct per side st r ipper
Any number of pseudopr oduct st r eams (opt ional)
4-50 Unit Oper at ion Models
Ver sion 10
Columns
You can use any number of pseudopr oduct st r eams t o r epr esent :
• Column int er nal st r eams
• Pumpar ound st r eams
• Column connect ing st r eams
A pseudopr oduct st r eam does not affect column r esult s.
Heat Streams
Inlet One heat st r eam per st age for t he main column (opt ional)
One heat st r eam per pumpar ound heat er /cooler (opt ional)
One heat st r eam per st r ipper r eboiler (opt ional)
One heat st r eam per st r ipper bot t om liquid r et ur n (opt ional)
Outlet One heat st r eam per st age for t he main column (opt ional)
One heat st r eam per pumpar ound heat er s/cooler (opt ional)
One heat st r eam per st r ipper r eboiler (opt ional)
One heat st r eam per st r ipper bot t om liquid r et ur n (opt ional)
Pet r oFr ac uses an inlet heat st r eam as a dut y specificat ion for all st ages except
t he condenser , r eboiler , pumpar ounds, and st r ipper bot t om liquid r et ur n.
If you do not give sufficient oper at ing column specificat ions on t he Set up
Configur at ion sheet , Pet r oFr ac uses a heat st r eam as a specificat ion for t he
condenser and r eboiler .
If you do not give t wo specificat ions on t he Pumpar ounds Specificat ions sheet ,
Pet r oFr ac uses a heat st r eam as a specificat ion for pumpar ounds.
If you do not give t wo specificat ions for t he bot t om liquid r et ur n on t he St r ipper s
Set up LiquidRet ur n sheet , Pet r oFr ac uses a heat st r eam as a specificat ion.
If you give t wo specificat ions on t he Set up Configur at ion sheet or Pumpar ounds
Specificat ions sheet , Pet r oFr ac does not use t he inlet heat st r eam as a
specificat ion. The heat st r eam supplies t he r equir ed heat ing or cooling.
Use opt ional out let st r eams for t he net heat dut y of t he condenser , r eboiler , and
pumpar ounds. The value of t he out let heat st r eam equals t he value of t he inlet
heat st r eam (if any) minus t he act ual (calculat ed) heat dut y.
Mai n Column
The main column can have any number of inlet st reams. It can also have up t o
t hr ee pr oduct st r eams per st age (one vapor , one hydr ocar bon liquid, and one fr ee
wat er ).
Unit Oper at ion Models 4-51
Ver sion 10
Chapter 4
Side Strippers
The side st r ipper s can have a st eam feed. They must have a liquid bot t oms
pr oduct . You can use a heat st r eam as t he heat sour ce for t he r eboiler . If you do not
specify t he r eboiler dut y, bot t oms flow r at e, and st eam feed, Pet r oFr ac uses t he
heat st r eam as a dut y specificat ion.
Opt ionally, t he st r ipper liquid bot t oms may be par t ially r et ur ned t o t he main
column. To specify a bot t om liquid r et ur n, you must ent er t wo specificat ions on
t he St r ipper s Set up LiquidRet ur n sheet .
Feed Furnace
You can specify a feed fur nace. A feed fur nace can have any number of feeds. The
vapor and liquid st r eams fr om t he fur nace ar e fed t o t he st age wher e t he fur nace is
at t ached.
Speci fyi ng PetroFrac
Wit hin each column or st r ipper , st ages ar e number ed fr om t he t op down. If
pr esent , t he main column condenser is st age 1.
Use t he following for ms t o ent er specificat ions and view r esult s of Pet r oFr ac:
Use this form To do this
Setup Specify basic column configuration and operating conditions
Pumparounds Specify pumparound specifications and view results
Pumparounds Hcurves Specify pumparound heating or cooling curve tables and view tabular results
Strippers Setup Specify stripper operating specifications
Strippers Efficiencies Specify stripper column or stage efficiencies
Strippers ReboilerHcurves Specify stripper reboiler heating or cooling curve tables and view tabular results
Strippers TraySizing Specify sizing calculation parameters for tray stripper sections, and view results
Strippers TrayRating Specify rating calculation parameters for tray stripper sections, and view results
Strippers PackSizing Specify sizing calculation parameters for packed stripper sections, and view results
Strippers PackRating Specify rating calculation parameters for packed stripper sections, and view results
Strippers Properties Specify physical property parameters for stripper sections
continued
4-52 Unit Oper at ion Models
Ver sion 10
Columns
Use this form To do this
Strippers Estimates Specify estimates for stripper temperatures and flows
Strippers Results View stripper product stream and connecting stream results
Strippers Profiles View stripper profiles
HeatersCoolers Specify stage heating or cooling specifications
RunbackSpecs Specify runback specification parameters
Efficiencies Specify stage or component efficiencies
DesignSpecs Specify design specifications, manipulated variables, and view results
CondenserHcurves Specify condenser heating or cooling curve tables and view tabular results
ReboilerHcurves Specify reboiler heating or cooling curve tables and view tabular results
TraySizing Specify sizing calculation parameters for tray column sections, and view results
TrayRating Specify rating calculation parameters for tray column sections, and view results
PackSizing Specify sizing calculation parameters for packed column sections, and view results
PackRating Specify rating calculation parameters for packed column sections, and view results
Properties Specify physical property parameters for column sections
Estimates Specify estimates for column temperatures and flows
Convergence Specify convergence parameters
Report Specify block-specific report options and pseudostreams
BlockOptions Override global values for physical properties, simulation options, diagnostic message levels,
and report options for this block
UserSubroutines Specify user subroutines for tray and packing rating and sizing
Connectivity View stream connectivity for the PetroFrac block
ResultsSummary View key column results for the overall PetroFrac column
Profiles View column profiles
Unit Oper at ion Models 4-53
Ver sion 10
Chapter 4
Mai n Column
You define t he main column configur at ion using Condenser and Reboiler on t he
Set up Configur at ion sheet . Pet r oFr ac allows six condenser t ypes:
• Subcooled
• Tot al
• Par t ial wit h vapor dist illat e pr oduct only
• Par t ial wit h bot h vapor and liquid dist illat e pr oduct s
• No condenser , wit h pumpar ound t o t op st age
• No condenser , wit h ext er nal feed t o t op st age
You can specify one of t hr ee r eboiler t ypes:
• Ket t le r eboiler
• No r eboiler , wit h pumpar ound t o bot t om st age
• No r eboiler , wit h ext er nal feed t o bot t om st age
The t ypes and number of r equir ed oper at ing specificat ions depend on t he column
configur at ion. Nor mally, you must ent er t wo column oper at ing specificat ions. If
eit her a condenser or a r eboiler is absent , you must ent er one specificat ion. If
bot h t he condenser and r eboiler ar e absent , do not ent er any specificat ion.
Feed Stream Handling
Use t he Set up St r eams sheet t o specify t he feed and pr oduct st age locat ions. You
may also ident ify a feed as t he st r ipping st eam, and over r ide it s flow by specifying
a st eam-t o-pr oduct r at io.
Pet r oFr ac pr ovides t hr ee convent ions for handling feed st r eams (see Pet r oFr ac
Feed Convent ion Above-St age and Pet r oFr ac Feed Convent ion On-St age in t he
following figur es):
• Above-St age
• On-St age
• Fur nace
When Feed-Convent ion is Above-St age, Pet r oFr ac int r oduces a mat er ial st r eam
bet ween adjacent st ages. The liquid por t ion flows t o t he st age (n) you specify. The
vapor por t ion flows t o t he st age above (n – 1). You can int r oduce a liquid feed t o
t he t op st age (or condenser ) by specifying St age=1. You can int r oduce a vapor
feed t o t he bot t om st age (or r eboiler ) by specifying St age=Number of st ages+1.
When Feed-Convent ion is On-St age, bot h t he liquid and vapor por t ions of a feed
flow t o t he st age (n) you specify.
4-54 Unit Oper at ion Models
Ver sion 10
Columns
Vapor
Liquid
n - 1
Mixed feed
to stage n
PetroFrac Feed Convention Above-Stage
n - 1
n + 1
n
Mixed feed
to stage n
PetroFrac Feed Convention On-Stage
When Feed-Convent ion is Fur nace, a fur nace is at t ached t o t he st age (n) you
specify. The feed ent er s t he fur nace befor e being int r oduced t o t he specified
st age.
Feed Furnace
Pet r oFr ac can simulat e a feed fur nace simult aneously wit h t he column/st r ipper s.
You can simulat e t he feed fur nace as a simple heat er or as a single st age flash wit h
or wit hout feed over flash bypass t o t he fur nace. You can specify one of t he
following:
• Heat Dut y
• Temper at ur e
• Fr act ional over flash
Unit Oper at ion Models 4-55
Ver sion 10
Chapter 4
To do this Use this sheet
Define a feed to the feed furnace Setup Streams (Feed Convention)
Enter a furnace model type and associated specifications Setup Furnace
You can select fr om t hr ee fur nace model t ypes, as shown in t he next t hr ee
figur es.
Heat
Feed
Main Column
Furnace Modeled as a Stage Heat Duty
Feed Furnace
Main Column
Furnace Modeled as a Single Stage Flash
4-56 Unit Oper at ion Models
Ver sion 10
Columns
Feed
Furnace
Main Column
Furnace Modeled as a Single Stage Flash with Overflash Bypass
If Model= PetroFrac models the furnace as And calculates
Heater Stage heat duty on the feed stage —
Flash Single-stage flash Furnace temperature, degree of vaporization,
vapor/liquid compositions
Flash-Bypass Single-stage flash with the overflash bypassed
back to the furnace
Furnace temperature, degree of vaporization,
vapor/liquid compositions
Li qui d Runbacks
Use t he RunbackSpecs for m t o specify t he flow r at e of liquid r unback fr om any
st age. When you ent er a liquid r unback specificat ion, you must allow Pet r oFr ac t o
adjust one of t he following:
• Flow r at e of a pumpar ound
• Dut y of an int er st age heat er /cooler
Pumparounds
Use t he following sheet s t o ent er specificat ions for pumpar ounds.
Use this sheet To enter
Pumparounds
Specifications
Pumparound connectivity and cooler/heater specifications
Report PseudoStreams Pseudostream assignment for the pumparound
Hcurves Specifications Heating/cooling curve specifications
Unit Oper at ion Models 4-57
Ver sion 10
Chapter 4
Pumpar ounds ar e associat ed wit h t he maincolumn. They can be t ot al or par t ial
dr awoffs of t he st age liquid flow. You must specify t he dr aw and r et ur n st age
locat ions for each pumpar ound. For par t ial dr awoffs, you must specify t wo of t he
following:
• Flow r at e
• Temper at ur e
• Temper at ur e change
• Heat Dut y
For t ot al dr awoffs, you must specify one of t he following:
• Temper at ur e
• Temper at ur e change
• Heat Dut y
Side Strippers
Use t he St r ipper for ms and sheet s t o ent er specificat ions for side st r ipper s.
Side st r ipper s may be eit her st eam-st r ipped or r eboiled. For st eam st r ipper s, you
must ent er a st eam st r eam. You can over r ide it s flow r at e by specifying a st eam-
t o-pr oduct r at io. For r eboiled st r ipper s, you must specify a r eboiler dut y.
Pet r oFr ac assumes:
• A liquid dr aw goes fr om t he main column t o t he t op of t he st r ipper .
• The st r ipper over head is r et ur ned t o t he main column.
You must specify t he dr aw and r et ur n st age locat ions. You can also:
• Ret ur n a fr act ion of t he st r ipper bot t oms t o t he main column
• Specify addit ional liquid dr aws fr om ot her st ages of t he main column as feeds
t o t he st r ipper s
Effi ci enci es
You can specify one of t wo t ypes of efficiencies:
• Vapor izat ion
• Mur phr ee
Vapor izat ion efficiency is defined as:
Eff
y
K x
i
v i j
i j i j
·
,
, ,
Mur phr ee efficiency is defined as:
Eff
y y
k x y
i j
M i j i j
i j i j i j
,
, ,
, , ,
·


+
+
1
1
4-58 Unit Oper at ion Models
Ver sion 10
Columns
Wher e:
K = Equilibr ium K value
x = Liquid mole fr act ion
y = Vapor mole fr act ion
Eff
v
= Vapor izat ion efficiency
Eff
M
= Mur phr ee efficiency
i = Component index
j = St age index
To specify vapor izat ion or Mur phr ee efficiencies, ent er t he number of act ual
st ages on t he Set up Configur at ion sheet and St r ipper s Set up Configur at ion sheet
as Number of st ages. Then use t he Efficiencies and St r ipper s Efficiencies for ms
t o ent er t he efficiencies.
You can use any of t hese efficiencies t o account for depar t ur e fr om equilibr ium.
But you cannot conver t fr om one efficiency t o t he ot her . Magnit udes of t he
efficiencies can be quit e differ ent . Det ails on using and est imat ing t hese
efficiencies ar e descr ibed by Holland, Fundamentals of Multi-Component
Distillation, McGr aw-Hill Book Company, 1981.
Convergence
For conver gence Pet r oFr ac uses:
• The sum-r at es var iant of t he inside-out algor it hm
• A special init ializat ion pr ocedur e designed for pet r oleum r efining applicat ions
Pet r oFr ac gener ally does not need init ial est imat es. For et hylene plant pr imar y
fr act ionat or /quench t ower combinat ions, you should pr ovide t emper at ur e
est imat es.
To enhance conver gence, you may ent er pr ofile est imat es on t he following
Pet r oFr ac for ms:
• Est imat es
• St r ipper s Est imat es
Temper at ur e est imat es ar e usually adequat e. You can incr ease conver gence
st abilit y by select ing var ying degr ees of damping on t he Conver gence Basic sheet .
Unit Oper at ion Models 4-59
Ver sion 10
Chapter 4
Rati ng Mode
In r at ing mode, Pet r oFr ac calculat es t he column pr ofiles and pr oduct composit ions
based on specified values of column par amet er s. Examples of column par amet er s
ar e:
• Reflux r at io
• Reboiler dut ies
• Feed flow r at es
• Fur nace t emper at ur e
• Pumpar ound loads
Desi gn Mode
In design mode you can manipulat e subset s of t he column par amet er s t o achieve
cer t ain specificat ions on column per for mance.
You can specify For any
Purity Stream, including internal streams

Recovery of any components group Set of product streams
††
Flow rate of any components group Internal stream or set of product streams
Flow rates of any components groups to any
other component groups
Internal streams to any other internal streams, or set of feed or product
streams
Temperature Stage
Heat duty Stage
Fractional overflash Stage
TBP and D86 temperature gaps Pair of product streams
TBP temperature Product stream
D86 temperature Product stream
D1160 temperature Product stream
Vacuum distillation temperature Product stream
API gravity Product stream
Standard liquid density Product stream
Specific gravity Product stream
Flash point Product stream
Pour point Product stream
Refractive index Product stream
continued
4-60 Unit Oper at ion Models
Ver sion 10
Columns
You can specify For any
Reid vapor pressure Product stream
Value of any Prop-Set property Internal or product stream
†††
Difference of any pair of Prop-Set properties Pair of product streams
Watson UOP K factor Product stream

Express the purity as the sum of mole, mass, or standard liquid volume fraction of any group of
components relative to any other group of components.
††
Express recovery as a fraction of the same components in a subset of feed streams.
†††
S ee ASPEN PLUS User Guide, Chapter 28.
You can also specify over flash for a fur nace feed st r eam.
Physi cal Properti es
Use t he BlockOpt ions for m t o over r ide t he global physical pr oper t y met hod. You
can specify one met hod on t his for m, which Pet r oFr ac uses for all st ages in t he
main column and st r ipper s.
You can also split t he main column or a st r ipper int o any number of segment s,
each using a differ ent pr oper t y met hod.
Use this sheet When you use different properties for
Properties Property Sections The main column
Strippers Properties Property Sections A stripper
Free Water Handli ng
Pet r oFr ac can per for m fr ee-wat er calculat ions in t he main column and side
st r ipper s. By default , Pet r oFr ac per for ms fr ee-wat er calculat ions for t he main
column condenser . The fr ee-wat er phase, if pr esent , is decant ed.
To do this Use these sheets
Request free-water calculations for additional stages in the
main columns and strippers
Properties Freewater Stages
Strippers Properties Freewater Stages
Define additional water decant product streams for the main
column
Setup Streams
Unit Oper at ion Models 4-61
Ver sion 10
Chapter 4
Soli ds Handli ng
Pet r oFr ac handles solids by:
• Tempor ar ily r emoving all solids fr om inlet st r eams
• Per for ming calculat ions wit hout solids
• Adiabat ically mixing solids r emoved fr om inlet st r eams wit h main column
liquid bot t oms
This calculat ion appr oach maint ains an over all mass and ener gy balance ar ound
t he Pet r oFr ac block. But t he bot t om st age liquid pr oduct will not be in exact
t her mal or phase equilibr ium wit h ot her bot t om st age flows (for example, t he
bot t om st age vapor flow).
Si zi ng and Rati ng of Trays and Packi ngs
Pet r oFr ac has ext ensive capabilit ies t o size, r at e, and per for m pr essur e dr op
calculat ions for t r ayed and packed columns. Use t he following Pet r oFr ac for ms t o
ent er specificat ions:
• Tr aySizing, Tr ayRat ing, PackSizing, PackRat ing
• St r ipper s Tr aySizing, St r ipper s Tr ayRat ing, St r ipper s PackSizing, St r ipper s
PackRat ing
See Appendix A for det ails on t r ay and packing t ypes and cor r elat ions.
4-62 Unit Oper at ion Models
Ver sion 10
Columns
RateFrac
Rate-Based Distillation
Rat eFr ac is a r at e-based nonequilibr ium model for simulat ing all t ypes of
mult ist age vapor -liquid fr act ionat ion oper at ions. Rat eFr ac simulat es act ual t r ay
and packed columns, r at her t han t he idealized r epr esent at ion of equilibr ium
st ages. Rat eFr ac explicit ly account s for t he under lying int er phase mass and heat
t r ansfer pr ocesses t o det er mine t he degr ee of separ at ion. Rat eFr ac does not use
empir ical fact or s such as efficiencies and t he Height Equivalent t o a Theor et ical
Plat e (HETP).
Rat eFr ac is applicable for :
• Or dinar y dist illat ion
• Absor pt ion
• Reboiled absor pt ion
• St r ipping
• Reboiled st r ipping
• Ext r act ive and azeot r opic dist illat ion
Rat eFr ac is suit able for :
• Two-phase syst ems
• Nar r ow and wide-boiling syst ems
• Syst ems exhibit ing st r ong liquid phase nonidealit y
Rat eFr ac can also det ect and handle a fr ee wat er phase in t he condenser .
Rat eFr ac can model columns wit h chemical r eact ions. React ions include:
• Equilibr ium
• Rat e-cont r olled
• Elect r olyt ic
Rat eFr ac models a complex configur at ion consist ing of a single column or
int er linked columns. The configur at ion may have:
• Any number of columns, each wit h any number of Rat eFr ac Segment s
• Any number of connect ions bet ween columns or wit hin each column
• Ar bit r ar y flow split t ing and mixing of connect ing st r eams
Rat eFr ac can handle oper at ions wit h:
• Side st r ipper s
• Pumpar ounds
• Bypasses
• Ext er nal heat exchanger s
Rat eFr ac can be used t o
• Rat e exist ing columns
• Design new columns
Unit Oper at ion Models 4-63
Ver sion 10
Chapter 4
You can define pseudopr oduct st r eams t o r epr esent column int er nal flows or
connect ing st r eams in Rat eFr ac.
You can use For t r an Blocks, Sensit ivit y Analysis, and Case St udy blocks t o var y
configur at ion par amet er s, such as feed locat ion or number of segment s.
Rat eFr ac can pr oduce segment wise column pr ofile plot s.
Rat eFr ac can be used wit h ot her ASPEN PLUS feat ur es and capabilit ies much in
t he same way as t he equilibr ium-based models, RadFr ac, Pet r oFr ac, and
Mult iFr ac.
Flowsheet Connecti vi ty for RateFrac
1
Vapor Distillate or
Interconnecting Stream
Heat (optional)
Heat (optional)
Heat (optional)
Heat (optional)
Liquid Distillate (optional)
Water Distillate (optional)
Side Products
Interconnecting Streams
(Heater optional)
Bottoms or
Interconnecting Streams
Interconnecting Streams
(Heater optional)
Reflux
N
Bottom Segment
or Reboiler Heat
Duty (optional)
Top Segment or
Condenser Heat
Duty (optional)
Feeds
Pumparounds
and Bypasses
(Heater optional)
Rat eFr ac models single and int er linked columns. Any number of columns can be
connect ed by any number of connect ing st r eams. Each connect ing st r eam can
have an associat ed heat er .
Each column may have:
• Any combinat ion of packed and t r ay segment s
• Any number of connect ing st r eams
• Any number of side pr oduct st r eams
4-64 Unit Oper at ion Models
Ver sion 10
Columns
Material Streams
Inlet At least one mat er ial st r eam
Outlet Up t o t wo pr oduct st r eams (one vapor , one liquid) per segment
One wat er dist illat e pr oduct st r eam (opt ional)
Any number of pseudopr oduct st r eams (opt ional)
Each column must have:
• At least one vapor or liquid st r eam leaving t he t op segment
• One liquid st r eam leaving t he bot t om segment
When you model int er linked columns, t he t op and bot t om st r eams can be
connect ing st r eams. However , t he fr ee-wat er st r eam fr om t he condenser cannot
be a connect ing st r eam.
Heat Streams
Inlet One heat st r eam per segment (opt ional)
One heat st r eam per connect ing st r eam (opt ional)
Outlet One heat st r eam per connect ing st r eam (opt ional)
Rat eFr ac uses an inlet heat st r eam as a dut y specificat ion for all segment s except
t he condenser , r eboiler , and connect ing st r eams. If you do not pr ovide t wo column
oper at ing specificat ions on t he Columns Set up Configur at ion sheet , Rat eFr ac uses
a heat st r eam as a specificat ion for t he condenser and r eboiler .
If you do not pr ovide t wo specificat ions on t he Connect St r eams Input sheet ,
Rat eFr ac uses a heat st r eam as a specificat ion for connect ing st r eams.
If you pr ovide t wo specificat ions on t he Columns Set up Configur at ion sheet or
Connect St r eams Input sheet , Rat eFr ac does not use t he inlet heat st r eam as a
specificat ion. The inlet heat st r eam supplies t he r equir ed heat ing or cooling.
You can use opt ional out let heat st r eams for t he net heat dut y of t he condenser ,
r eboiler , and connect ing st r eams. The value of t he out let heat st r eam equals t he
value of t he inlet heat st r eam (if any), minus t he act ual (calculat ed) heat dut y.
Unit Oper at ion Models 4-65
Ver sion 10
Chapter 4
The Rate-Based Modeli ng Concept
Most models available for simulat ing and designing mult icomponent , mult ist age
separ at ion pr ocesses ar e based on t he idealized concept of equilibr ium or
t heor et ical st ages. This appr oach assumes t hat t he liquid and vapor phases
leaving any st age ar e in t her modynamic equilibr ium wit h each ot her . The phase
composit ions, t emper at ur e, and vapor and liquid flow pr ofiles ar e calculat ed by
solving t he gover ning mat er ial balances, ener gy balances, and equilibr ium
r elat ions for each st age.
In pr act ice, columns r ar ely oper at e under t her modynamic equilibr ium condit ions.
Vapor -liquid equilibr ium pr evails only at t he int er face separ at ing vapor and
liquid phases. The separ at ion achieved in a mult ist age column depends on t he
int er phase mass and heat t r ansfer r at e pr ocesses. Mult icomponent mass t r ansfer
int er act ions can also have pr onounced effect s on t he separ at ion.
When t he equilibr ium appr oach is used t o model a t r ay column, a cor r ect ion
fact or (r efer r ed t o as an efficiency) at t empt s t o account for t he depar t ur e fr om
equilibr ium. Many definit ions for efficiency exist , wit h wide var iat ions in
complexit y and accur acy. In gener al, efficiencies depend on:
• Physical char act er ist ics of t he equipment , such as column configur at ion
• Hydr odynamics of t he column
• Fluid pr oper t ies of t he syst em
Mur phr ee vapor efficiencies ar e t he most widely used. These efficiencies
gener ally var y fr om st age t o st age wit hin a column, and fr om component t o
component . For mult icomponent syst ems, t her e ar e no t heor et ical limit at ions on
Mur phr ee efficiencies. Exper iment al evidence shows t hat component efficiencies:
• May var y st r ongly fr om component t o component
• Can t ake any value including negat ive values
Met hods used t o calculat e component efficiencies gener ally do not include t he
effect of t he depar t ur e fr om t her mal equilibr ium.
Packed columns ar e also designed using t he equilibr ium st age concept . However ,
HETP is commonly used in place of efficiencies. HETP var ies wit h:
• Type and size of t he packing
• Hydr odynamics of t he column
• Fluid pr oper t ies of t he syst em
Like efficiencies, HETPs may var y st r ongly fr om point t o point wit hin a column
and fr om syst em t o syst em.
4-66 Unit Oper at ion Models
Ver sion 10
Columns
Rat eFr ac is based on a fundament al and r igor ous appr oach. This appr oach avoids
uncer t aint ies t hat r esult when t he equilibr ium appr oach is used wit h est imat ed
efficiencies or HETP. Rat eFr ac dir ect ly includes mass and heat t r ansfer r at e
pr ocesses in t he syst em of equat ions r epr esent ing t he oper at ion of separ at ion
pr ocess unit s. Rat eFr ac:
• Descr ibes t he simult aneous mass and heat t r ansfer r at e phenomena
• Account s for t he mult icomponent int er act ions bet ween simult aneously
diffusing species
For nonr eact ive syst ems, Rat eFr ac compr ises:
• Mass and heat balances ar ound vapor and liquid phases
• Mass and heat t r ansfer r at e models t o det er mine int er phase t r ansfer r at es
• Vapor -liquid equilibr ium r elat ions applied at int er facial condit ions
• Cor r elat ions t o est imat e mass and heat t r ansfer coefficient s and int er facial
ar eas
For chemically r eact ive syst ems, Rat eFr ac includes equat ions t o account for t he
influence of chemical r eact ions on heat and mass t r ansfer r at e pr ocesses. For
syst ems involving equilibr ium r eact ions, Rat eFr ac includes equat ions t o
r epr esent t he chemical equilibr ium condit ions.
Rat eFr ac complet ely avoids t he need for efficiencies in t r ay columns or HETPs in
packed columns. Rat eFr ac has far gr eat er pr edict ive capabilit ies t han t he
convent ional equilibr ium model.
Speci fyi ng RateFrac
Rat eFr ac number s segment s fr om t he t op down, st ar t ing wit h t he condenser (or
st ar t ing wit h t he t op segment if t her e is no condenser ).
Use t he following for ms t o ent er specificat ions and view r esult s for Rat eFr ac:
Use this form To do this
BlockParameters Specify overall block parameters, convergence and initialization parameters, block-
specific diagnostic message levels, and feed flash convergence parameters
Columns Setup Specify basic column configuration and operating conditions
Columns TraySpecs Specify tray column section parameters
Columns PackSpecs Specify packed column section parameters
Columns Reactions Assign reactions to column sections, and specify vapor and liquid holdup data
continued
Unit Oper at ion Models 4-67
Ver sion 10
Chapter 4
Use this form To do this
Columns Estimates Specify initial estimates for segment temperatures, and vapor and liquid flows and
compositions
Columns
EquilibriumSegments
Specify optional equilibrium segments and column efficiencies
Columns HeatersCoolers Specify segment heating or cooling and utility exchangers
Columns FlowTempSpecs Specify liquid, vapor, and temperature specifications
Columns Results View column performance summary
Columns Profiles View column profiles
Columns InterfaceProfiles View column interface profiles
Columns EfficienciesFlooding View tray and component efficiencies, packing HETPs, and flooding summary
Columns TransferCoefficients View binary diffusion, binary mass, and heat transfer coefficients
InletsOutlets Specify feed and product stream locations and conventions, inlet and outlet heat
streams
ConnectStreams Specify connecting stream sources and destinations and view results
DesignSpecs Specify design specifications and view convergence results
Vary Specify manipulated variables to satisfy design specifications and view final values
FlowRatios Specify the flow ratio and view results
CondenserHcurves Specify condenser heating or cooling curve tables and view tabular results
ReboilerHcurves Specify reboiler heating or cooling curve tables and view tabular results
ConnectStreamHcurves Specify connecting stream heating or cooling curve tables and view tabular results
Reports Specify block-specific report options, and pseudostream information
BlockOptions Override global values for physical properties, simulation options, diagnostic message
levels, and report options for this block
UserSubroutines Specify user subroutine parameters for mass and heat transfer coefficients, interfacial
area, pressure drop, and kinetics
ResultsSummary View material and energy balance results and overall split fractions
Column Numbering
Individual columns ar e ident ified by a column number . The number ing or der does
not affect algor it hm per for mance. Wit hin each column, segment s ar e number ed
fr om t op t o bot t om, st ar t ing wit h t he condenser (when pr esent ).
4-68 Unit Oper at ion Models
Ver sion 10
Columns
Stream Definition
Rat eFr ac uses four t ypes of st r eams:
• Ext er nal st r eams
• Connect ing st r eams
• Int er nal st r eams
• Pseudost r eams
Ext er nal st r eams ar e t he st andar d Rat eFr ac inlet and out let st r eams. They ar e
ident ified by st r eam IDs.
Connect ing st r eams ar e st r eams wit hin Rat eFr ac but ext er nal t o individual
columns. These st r eams ar e ident ified by connect ing st r eam number s.
Connect ing st r eams may connect t wo columns or segment s of t he same column
(such as bypasses and pumpar ounds). You can associat e a heat er wit h any
connect ing st r eam. Heat er s ar e ident ified by t he connect ing st r eam number .
Int er nal st r eams ar e t he liquid or vapor flows bet ween adjacent segment s of t he
same column. These st r eams ar e ident ified by a segment number and a column
number .
Pseudost r eams st or e t he r esult s of int er nal and connect ing st r eams. They ar e a
subset of ext er nal out let st r eams. Unlike nor mal out let st r eams, pseudost r eams
do not par t icipat e in t he block mat er ial balance calculat ions.
Material Feed Streams
Rat eFr ac uses t wo convent ions for handling mat er ial feed st r eams (see Rat eFr ac
Feed Convent ions in t he following figur es):
• Above segment
• On segment
Segment n-1
Mixed Feed to
Segment n
Segment n
Vapor
Liquid
RateFrac Feed Convention Above Segment
Unit Oper at ion Models 4-69
Ver sion 10
Chapter 4
Segment n-1
Mixed Feed to
Segment n
Segment n
Segment n + 1
Vapor
Liquid
RateFrac Feed Convention On Segment
When t he feed convent ion is defined as Above segment , Rat eFr ac int r oduces a
mat er ial st r eam bet ween adjacent segment s. The liquid por t ion flows t o segment
n, specified as t he feed segment . The vapor por t ion flows t o t he segment above
(segment n-1 in t he figur e Rat eFr ac Feed Convent ion Above segment ). You can
int r oduce a liquid t o t he t op segment (or condenser ) by specifying Segment =1.
You can int r oduce a vapor feed t o t he bot t om segment (or r eboiler ), by specifying
t he segment equal t o t he last segment in t he column +1. When a t wo-phase feed
st r eam is fed t o segment 1, t he vapor phase is combined dir ect ly wit h t he vapor
dist illat e. Similar ly, when a t wo-phase feed st r eam is fed t o t he last segment of
t hat column + 1, t he liquid phase is combined dir ect ly wit h t he liquid bot t oms
pr oduct .
When t he feed convent ion is defined as On segment , bot h t he liquid and vapor
por t ions of t he feed flow t o segment specified (segment n in t he pr evious figur e
Rat eFr ac Feed Convent ion On segment ).
Rat eFr ac assumes t hat a vapor feed (or t he vapor por t ion of a mixed feed)
combines wit h t he vapor phase in t he segment it ent er s. Rat eFr ac also assumes
t hat a liquid feed (or t he liquid por t ion of a mixed feed) combines wit h t he liquid
phase in t he segment it ent er s.
4-70 Unit Oper at ion Models
Ver sion 10
Columns
Column Configuration
Specify t he column configur at ion by indicat ing t he following on t he Columns
Configur at ion sheet :
• Number of segment s
• Pr esence or absence of condenser s and r eboiler s
• Equilibr ium and nonequilibr ium segment s
Connecti ng Streams
Rat eFr ac allows any number of connect ing st r eams. Any number of t hese st r eams
can have t he same:
• Sour ce column, segment , and phase
• Dest inat ion column and segment
Rat eFr ac int r oduces connect ing st r eams on t he dest inat ion segment r egar dless of
t heir phase (Convent ion = On Segment ). All connect ing st r eams can have a
heat er . Ent er all specificat ions for connect ing st r eams on t he Connect St r eams
Input sheet . Rat eFr ac does not allow phase change for connect ing st r eams.
Connect ing st r eams can be eit her a t ot al or a par t ial dr awoff of t he segment flow.
Ent er t he r equir ed specificat ions as follows:
If the drawoff type is You enter
Partial Two of the following: flow, temperature or temperature change and heat duty

Total One of the following: temperature or temperature change and heat duty
††

Enter zero for heat duty if heater is absent.
††
Flow is taken as the net flow of the segment, excluding any product flow and any other connecting
stream flow.
Required Specifications
You must specify t he t ot al number of columns and connect ing st r eams.
Use this form To enter Such as
Columns TraySpecs Tray specifications Number of trays or
Number of trays per segment
Tray type
Tray characteristics
Columns PackSpecs Packing specifications Total height of packing or
Height of packing per segment
Packing type
Packing characteristics
Unit Oper at ion Models 4-71
Ver sion 10
Chapter 4
You must also specify:
• Inlet st r eam locat ions
• Heat st r eam locat ions, heat dut y, and phase
• Pr essur e pr ofile for each column
• Condenser t ype
• Two oper at ing specificat ions for mult isegment columns and one for single-
segment columns
• Sour ce and dest inat ion of any connect ing st r eam and associat ed heat er
specificat ions
• Out let st r eam locat ions and phases. If t he out let st r eam is a side dr awoff
st r eam fr om a segment , you must specify it s flow.
A segment r efer s t o one of t he following:
• A slice (or por t ion) of packing in a packed column (see t he pr eceding figur e,
Nonequilibr ium Segment in a Packed Column)
• One (or mor e) t r ay(s) in a t r ay column (see t he pr eceding figur e,
Nonequilibr ium Segment in a Tr ay Column)
A column consist s of segment s. To evaluat e mass and heat t r ansfer r at es
bet ween cont act ing phases, Rat eFr ac uses one of t he following:
• Height of packing in a packed segment
• Number of t r ays in a t r ay segment
Nonequilibrium Segment in a Packed Column
4-72 Unit Oper at ion Models
Ver sion 10
Columns
Nonequilibrium Segment in a Tray Column
Equilibrium Stages
Rat eFr ac can model bot h equilibr ium st ages and nonequilibr ium segment s in t he
same column. Use t he Columns Equilibr iumSegment s for m t o specify t he locat ion
of equilibr ium st ages. When all st ages ar e equilibr ium, you can obt ain t he same
r esult s using Rat eFr ac as you can using RadFr ac, Mult iFr ac, or Pet r oFr ac wit h
ideal st ages.
Reactive Systems
Rat eFr ac can handle kinet ically cont r olled r eact ions and equilibr ium r eact ions in
bot h liquid and vapor phases. Chemical r eact ions can be of any t ype, including:
• Simult aneous
• Consecut ive
• Par allel
• For war d
• Rever se
For kinet ically cont r olled r eact ions, t he kinet ics can be defined by one of t he
following:
• Built -in power law expr essions
• User -supplied For t r an subr out ines
Unit Oper at ion Models 4-73
Ver sion 10
Chapter 4
For equilibr ium r eact ions, t he chemical r eact ion equilibr ium const ant can be
defined eit her in t er ms of user -supplied coefficient s for a t emper at ur e-dependent
polynomial, or can be comput ed fr om t he r efer ence st at e fr ee ener gies of
par t icipat ing component s.
Rat eFr ac can model elect r olyt e syst ems using bot h t he appar ent and t he t r ue
component appr oaches.
Ent er t he following infor mat ion on t he React ions for m:
• React ion st oichiomet r y
• React ion t ype
• Phase in which r eact ions occur
Depending on t he r eact ion t ype, you must ent er eit her t he equilibr ium const ant
or kinet ic par amet er s. For elect r olyt ic r eact ions, you can also ent er t he r eact ion
dat a on t he Chemist r y for m.
To associat e r eact ions wit h a column segment , ent er t he cor r esponding React ions
ID (or Chemist r y ID or User React ions ID) on t he Columns React ions
Specificat ions sheet .
For r at e-cont r olled r eact ions, you must ent er holdup dat a for t he phase wher e
r eact ions occur .
For these segments Use this form to enter holdup information
Equilibrium Columns Reactions
Tray Columns TraySpecs
Packed Columns PackSpecs
Heaters and Coolers
Use t he Columns Heat er sCooler s Side Dut ies sheet t o specify:
• Heat dut y for a segment
• Heat er segment locat ion (column and segment )
• Phase
Use t he Columns Heat er sCooler s Ut ilit y Exchanger s sheet t o specify cooling (or
heat ing) of any segment using a coolant (or heat ing fluid).
You can use a heat st r eam t o pr ovide heat int egr at ion. Heat int egr at ion occur s
when t he dut y r ecover ed fr om anot her block is used as t he heat sour ce of heat er s
and cooler s. Ent er heat st r eam dat a on t he Inlet sOut let s Heat St r eams sheet .
4-74 Unit Oper at ion Models
Ver sion 10
Columns
Physical Property Specifications
Use t he Rat eFr ac BlockOpt ions for m t o over r ide t he global physical pr oper t y
pr oper t y met hod. You can specify only one pr oper t y met hod on t he BlockOpt ions
for m. Rat eFr ac uses t his pr oper t y met hod for t he whole column. Rat eFr ac does not
allow mult iple physical pr oper t y met hods.
Handling Free Water
Rat eFr ac can per for m fr ee-wat er calculat ions only in condenser s.
Rating Mode
In r at ing mode, Rat eFr ac calculat es t emper at ur es, flows, and mole fr act ion pr ofiles
based on specified values of column par amet er s such as:
• Reflux r at io
• Pr oduct flows
• Heat dut ies
Design Mode
In design mode, use t he DesignSpecs for m t o specify column per for mance
par amet er s (such as pur it y or r ecover y). You must indicat e which var iables t o
manipulat e t o achieve t hese specificat ions using t he Var y for m. You can specify
any var iables t hat ar e allowed in r at ing mode, except :
• Number of columns, segment s, and connect ing st r eams
• Pr essur e pr ofile
• Locat ions of feeds, pr oduct s, heat er s, and connect ing st r eams
• Column configur at ions, including t he number of t r ays, t r ay char act er ist ics,
height of packing, packing specificat ions
Unit Oper at ion Models 4-75
Ver sion 10
Chapter 4
The flows of inlet mat er ial st r eams and t he dut ies of inlet heat st r eams can also
be manipulat ed var iables.
You can specify For any
Purity Stream, including an internal stream

Recovery of any component groups Set of product streams
††
Flow of any component groups Internal stream or set of product streams
Component ratio Internal stream and a second internal stream or feed streams and product streams
Temperature of vapor stream Segment
Temperature of liquid stream Segment
Heat duty Condenser, reboiler, or a connecting stream
Value of any Prop-Set property Internal or product stream
†††
Ratio or difference of any pair of
properties in a Prop-Set
Single or paired internal or product stream

Express the purity as the sum of mole, mass, or standard liquid volume fractions of any group of
components, relative to any other group of components.
††
You can express recovery as a fraction of the same components in a subset of the feed stream.
†††
S ee ASPEN PLUS User Guide, Chapter 28.
Calculating Efficiency and HETP
Fr om conver ged vapor and liquid composit ion pr ofiles, Rat eFr ac back-calculat es
t he component Mur phr ee vapor efficiencies. These efficiencies ar e defined for each
component as t he fr act ional appr oach t o equilibr ium of t he vapor st r eam leaving
any segment , wit h t he liquid st r eam leaving t he same segment .
Eff
y y
K x Y
ij
ij ij
ij ij ij
·


+
+
1
1
Wher e:
Eff = Mur phr ee vapor efficiency
K = Vapor -liquid equilibr ium K value
x = Liquid mole fr act ion
y = Vapor mole fr act ion
i = Component index
j = Segment index
4-76 Unit Oper at ion Models
Ver sion 10
Columns
For each segment of packed columns, Rat eFr ac calculat es t he fr act ional appr oach
t o equilibr ium using t he same definit ion as used for Mur phr ee vapor efficiency.
Rat eFr ac r epor t s t he height of packing r equir ed t o achieve equilibr ium as t he
HETP for t hat segment .
Convergence and Computing Time
Rat eFrac must solve many more equat ions for a given column t han an equilibrium
model. Comput ing t imes for Rat eFrac are great er t han t hey are for equilibrium
models, par t icular ly for pr oblems cont aining many component s. The solut ion
algor it hm Rat eFr ac uses is an efficient , Newt on-based simult aneous cor r ect ion
appr oach. Rat eFr ac solut ion t imes incr ease wit h t he squar e of t he number of
component s. Solut ion t imes can be an or der of magnit ude gr eat er t han RadFr ac,
Mult iFr ac, or Pet r oFr ac solut ion t imes for t he same pr oblems.
References for Built-In Correlations
Rat eFr ac uses well-known and accept ed cor r elat ions t o calculat e:
• Binar y mass t r ansfer coefficient s for t he vapor and liquid phase
• Int er facial ar eas
In gener al, t hese quant it ies depend on column diamet er and oper at ing
par amet er s such as:
• Vapor and liquid flow
• Densit ies
• Viscosit ies
• Sur face t ension of liquid
• Vapor and liquid phase binar y diffusion coefficient s
Mass t r ansfer coefficient s and int er facial ar eas depend on:
Packing characteristics Tray characteristics
Type (random or structured) Type (sieve, valve, or bubble-cap)
Size Weir and flow path length
Specific surface area Downcomer area
Material of construction Weir height
The cor r elat ions involve well-defined dimensionless gr oups, such as t he
Reynolds, Fr oude, Weber , Schmidt , and Sher wood number s. The cor r elat ions
have been fit t ed t o exper iment al measur ement s fr om labor at or y and pilot plant
absor pt ion and dist illat ion columns.
Unit Oper at ion Models 4-77
Ver sion 10
Chapter 4
The cor r elat ions Rat eFr ac uses for mass t r ansfer coefficient s and int er facial
ar eas ar e:
Column type Correlation used
Packed Columns (random packing) Onda et al. (1968)
Packed Columns (structured) Bravo et al. (1985, 1992)
Sieve Trays

Chan and Fair (1984)
Valve Trays Scheffe and Weiland (1987)
Bubble-Cap Trays

Grester et al. (1958)

These correlations do not provide the mass transfer coefficients and interfacial areas separately.
Rat eFr ac allows you t o wr it e For t r an subr out ines t o calculat e:
• Binar y mass t r ansfer coefficient s
• Heat t r ansfer coefficient s
• Int er facial ar eas
The subr out ines ar e descr ibed in t he AS PEN PLUS User Models r efer ence
manual.
By applying a r igor ous mult icomponent mass t r ansfer t heor y (Kr ishna and
St andar t , 1976), Rat eFr ac uses binar y mass t r ansfer coefficient s t o evaluat e:
• Mult icomponent binar y mass t r ansfer coefficient s
• Component mass t r ansfer r at es bet ween vapor and liquid phases
Rat eFr ac calculat es t he vapor phase and liquid phase heat t r ansfer coefficient s
using t he Chilt on-Colbur n analogy (King, 1980). This analogy r elat es:
• Mass t r ansfer coefficient s
• Heat t r ansfer coefficient s
• Schmidt number
• Pr andt l number
Mass and Heat Transfer Correlati ons
Rat eFr ac uses sever al mass and heat t r ansfer cor r elat ions for :
• Packed columns.
• Valve Tr ay columns
• Bubble-Cap Tr ay columns
• Sieve Tr ay columns
Packed Column
Rat eFr ac calculat es t he mass t r ansfer coefficient s and t he int er facial ar ea
available for mass t r ansfer using t he cor r elat ions developed by Onda et al., 1968.
4-78 Unit Oper at ion Models
Ver sion 10
Columns
The cor r elat ion for t he liquid phase binar y mass t r ansfer coefficient s is:
( ) ( )
k
g
L
a
Sc a d
L
in
L
L L
in
L
p p
ρ
µ µ
ω
¸
¸

_
,

¸

1
]
1
1
¸
¸

_
,
·

1 3 2 3
1 2
0 4
0 0051
/ /
/
.
.
The cor r elat ion for t he gas phase binar y mass t r ansfer coefficient is:
( ) ( )
k
RT
a D
G
a u
Sc a d
g
in
g
p in p g
in
g
p p
¸
¸

_
,

¸

1
]
1
1
·
¸
¸

_
,


523
0 7
1 3
2
.
.
/
The int er facial ar ea available for mass t r ansfer is given by t he cor r elat ion:
( )
[ ] { }
a a Re Fr We
p L L L c ω
σ σ · − −


1 145
0 1
0 05
0 2 0 75
exp .
.
.
. .
Wher e:
Re
L
a
L
p L
·
µ
, Fr
a L
g
L
L
·
ρ
ρ
2
2
, We
L
a
L
p L
·
2
σρ
and:
k
L
in
= Binar y mass t r ansfer coefficient for t he binar y pair i and n
in t he liquid phase (m/sec)
ρ
L
=
Densit y of liquid (kg/m
3
)
g
=
Acceler at ion due t o gr avit y (m/sec
2
)
µ
L
=
Viscosit y of liquid (Newt on-sec/m
2
)
L =
Liquid super ficial mass velocit y (kg/m
2
/sec)
a
w
=
Wet t ed int er facial ar ea (m
2
int er facial ar ea/m
3
packing
volume)
Sc
L
in
= Schmidt number for t he binar y pair i and n in t he liquid
phase =
( ) µ ρ
L L in
L
D
D
L
in
= Binar y Maxwell-St efan diffusion coefficient for t he binar y
pair i and n
(m
2
/sec)
a
p
= Specific sur face ar ea of t he packing
continued
Unit Oper at ion Models 4-79
Ver sion 10
Chapter 4
d
p
= Nominal diamet er of packing or packing size (m)
k
g
in
= Binar y mass t r ansfer coefficient for t he binar y pair i and n
in t he vapor phase (kg mole/at m/m
2
/sec)
R =
Univer sal gas const ant (m
3
at m/kg mole/K)
T
g
= Gas phase t emper at ur e (K)
G =
Gas super ficial mass velocit y (kg/m
2
/sec)
µ
g
=
Viscosit y of gas mixt ur e (Newt on-sec/m
2
)
Sc
g
in
= Gas phase Schmidt number for t he binar y pair i and n =
( )
µ ρ
g g in
g
D
ρ
g
=
Densit y of gas mixt ur e (kg/m
3
)
D
g
in
= Gas-phase binar y Maxwell-St efan diffusion coefficient for
t he binar y pair i and n (m
2
/sec)
σ = Sur face t ension (Newt on/m)
σ
c
= Cr it ical sur face t ension of t he packing mat er ial (Newt on/m)
Valve Tray Column
Rat eFr ac calculat es t he mass t r ansfer coefficient s and t he int er facial ar ea
available for mass t r ansfer using t he cor r elat ions developed by Scheffe and
Weiland, 1987.
The cor r elat ion for t he liquid phase binar y mass t r ansfer coefficient is:
( ) ( )
( )
( ) Sh Re Re v Sc
in
L
g L in
L
· 1254
0 68
0 09
0 05
0 5
.
.
.
.
.
The cor r elat ion for t he gas phase binar y mass t r ansfer coefficient s is:
( ) ( )
( )
( ) Sh Re Re Sc
in
g
g L in
g
· 9 93
0 87
0 13
0 39
0 5
.
.
.
.
.
ϖ
The int er facial ar ea available for mass t r ansfer is given by t he cor r elat ion:
( ) ( )
( ) a Re
g L
· 027
0 37
0 25
0 52
.
.
.
.
Re ϖ
4-80 Unit Oper at ion Models
Ver sion 10
Columns
Wher e:
Sh
k ad
D
in
L
L
in
L
L
in
·
ρ
, Sh
k ad
D
in
g
g
in
g
g
in
·
ρ
, Sc
D
in
L L
L
L
in
·
µ
ρ
, Sc
D
in
g
g
g
g
in
·
µ
ρ
,
Re
Ld
L
L
·
µ
, Re
Gd
g
g
·
µ
, ϖ ·
W
d
and:
L =
Liquid mass velocit y (kg/m
2
/sec) (Velocit y is based on t ower
act ive ar ea.)
d = Geomet r ic par amet er of unit lengt h (m)
µ
L
=
Viscosit y of liquid mixt ur e (Newt on-sec/m
2
)
G =
Gas mass velocit y (kg/m
2
/sec) (Velocit y is based on t ower
act ive ar ea.)
µ
g
=
Viscosit y of gas mixt ur e (Newt on-sec/m
2
)
k
L
in
= Binar y mass t r ansfer coefficient for t he binar y pair i and n
in t he liquid phase (kg mole/m
2
/sec)
a =
Int er facial ar ea (m
2
int er facial ar ea/m
2
t ower act ive ar ea)
ρ
L
=
Molar densit y of liquid (kg mole/m
3
)
D
L
in
= Binar y Maxwell-St efan diffusion coefficient for t he binar y
pair i and n
(m
2
/sec)
k
g
in
= Binar y mass t r ansfer coefficient for t he binar y pair i and n
in t he vapor phase (kg mole/m
2
/sec)
ρ
g
=
Molar densit y of gas mixt ur e (kg mole/m
3
)
D
g
in
= Gas-phase binar y Maxwell-St efan diffusion coefficient for
t he binar y pair i and n (m
2
/sec)
ρ
L
=
Densit y of liquid mixt ur e (kg/m
3
)
ρ
g
=
Densit y of gas mixt ur e (kg/m
3
)
W = Weir height (m)
Unit Oper at ion Models 4-81
Ver sion 10
Chapter 4
Bubble-Cap Tray Column
Rat eFr ac calculat es t he pr oduct of t he binar y mass t r ansfer coefficient s and
int er facial ar eas using t he cor r elat ions developed by Gr est er et al., 1958.
The pr oduct of liquid phase binar y mass t r ansfer coefficient s and int er facial ar ea
is given by t he cor r elat ion:
( )
) k a D F Lt
L
in
in
L
L
· × + 4127 10 0 21313 015
8
0 5
. ( . .
.
The pr oduct of gas phase binar y mass t r ansfer coefficient and int er facial ar ea is
given by t he cor r elat ion:
( )
( )
k a
h F Q
Sc
G
g
in
w L
in
g
·
+ − + 0 776 4 567 0 2377 104 85
0 5
. . . .
.
Wher e:
k
L
in
= Binar y mass t r ansfer coefficient for t he binar y pair i and n
in t he liquid phase (kg mole/m
2
/sec)
a =
Int er facial ar ea (m
2
int er facial ar ea/m
2
t ower act ive ar ea)
D
L
in
= Binar y Maxwell-St efan diffusion coefficient for t he binar y
pair i and n
(m
2
/sec)
F = F-Fact or =
µ ρ
g g
1 2 /
kg / sec / m
1/2 1/2 ¸
¸

_
,

µ
g
=
Gas volumet r ic flow per unit act ive ar ea (m
3
/sec/m
2
)
ρ
g
=
Densit y of gas mixt ur e (kg/m
3
)
L =
Liquid molar velocit y (kg mole/m
2
/sec) (Velocit y is based on
act ive ar ea.)
t
L
= Liquid r esidence t ime =
0 9998 . / (sec) h Z Q
L L L
h
L
= Liquid holdup =
0 04191 019 2 0 0135 . . .4545 . ( ) + + − h Q F m
w L
Z
L
= Liquid flow pat h lengt h (m)
continued
4-82 Unit Oper at ion Models
Ver sion 10
Columns
Q
L
=
Liquid flow per aver age pat h widt h (m
3
/sec/m)
h
w
= Out let weir height (m)
k
g
in
= Binar y mass t r ansfer coefficient for t he binar y pair i and n
in t he vapor phase (kg mole/m
2
/sec)
G =
Gas molar velocit y (kg mole/m
2
/sec) (Velocit y is based on
act ive ar ea.)
Sc
g
in
= Gas-phase Schmidt number for t he binar y pair i and n =
( )
µ ρ
g g in
g
D
µ
g
=
Viscosit y of gas mixt ur e (Newt on-sec/m
2
)
D
g
in
= Gas-phase binar y Maxwell-St efan diffusion coefficient for
t he binar y pair i and n (m
2
/sec)
Si eve Tray Column
Rat eFr ac calculat es t he pr oduct of mass t r ansfer coefficient s and int er facial
ar eas using t he cor r elat ions developed by Chan and Fair , 1984.
The pr oduct of liquid phase binar y mass t r ansfer coefficient and int er facial ar ea
is given by t he cor r elat ion:
( )
( ) k a x D F Lt
L
in
in
L
L
· + 4127 10 0 21313 015
8
0 5
. . .
.
The pr oduct of t he gas phase binar y mass t r ansfer coefficient and int er facial ar ea
is given by t he cor r elat ion:
( ) ( )
k a
D F F
h
g
in
in
g
L
·

0 5
2
0 5
1030 867
.
.
Wher e:
k
L
in
= Binar y mass t r ansfer coefficient for t he binar y pair i and n
in t he liquid phase (kg mole/m
2
/sec)
a =
Int er facial ar ea (m
2
int er facial ar ea/m
2
t ower act ive ar ea)
D
L
in
= Binar y Maxwell-St efan diffusion coefficient for t he binar y
pair i and n
(m
2
/sec)
continued
Unit Oper at ion Models 4-83
Ver sion 10
Chapter 4
F = F-Fact or =
( ) µ ρ
g g
1 2 1 2 1 2 / / /
/ / kg sec m
µ
g
=
Gas volumet r ic flow per unit act ive ar ea (m
3
/sec/m
2
)
ρ
g
=
Densit y of gas mixt ur e (kg/m
3
)
L =
Liquid molar velocit y (kg mole/m
2
/sec) (Velocit y is based on
act ive ar ea.)
t
L
= Liquid r esidence t ime =
0 9998 . / (sec) h Z Q
L L L
h
L
= Liquid holdup =
0 04191 019 2 0 0135 . . .4545 . ( ) + + − h Q F m
w L
Z
L
= Liquid flow pat h lengt h (m)
Q
L
=
Liquid flow per aver age pat h widt h (m
3
/sec/m)
h
w
= Out let weir height (m)
k
g
in
= Binar y mass t r ansfer coefficient for t he binar y pair i and n
in t he vapor phase (m/sec)
D
g
in
= Binar y Maxwell-St efan diffusion coefficient for t he binar y
pair i and n
(m
2
/sec)
F = Fr act ional appr oach t o flooding gas velocit y =
µ µ
g g
F /
µ
g
F = Gas velocit y t hr ough act ive ar ea at flooding (m/sec)
h
L
= Liquid height =
( )
( ) Γ Γ Γ
e w e L e
h B Q +1533
2 3
/
/
m
Γ
e
=
( ) exp .
.
−12 55
0 91
K
s
B =
( ) 0 0327 0 0286 137 8 . . exp . + − h
ω
K
s
=
( )
( ) µ ρ ρ ρ
g g L g
( ) / sec
.

0 5
m
ρ
L
=
Densit y of liquid mixt ur e (kg/m
3
)
4-84 Unit Oper at ion Models
Ver sion 10
Columns
Heat Transfer Coeffi ci ents
Rat eFr ac calculat es t he heat t r ansfer coefficient s, using t he Chilt on-Colbur n
analogy (King, 1980).
The heat t r ansfer coefficient is given by:
( ) k Sc
h
Cp
av
tc
mix
2 3 /
·
Wher e:
k
av
= Aver age binar y mass t r ansfer coefficient s (kg
mole/sec)
Sc = Schmidt number
h
tc
= Heat t r ansfer coefficient (Wat t s/K)
Cp
mix
= Molar heat capacit y (J oules/kg mole/K)
Pr = Pr andt l number
Unit Oper at ion Models 4-85
Ver sion 10
Chapter 4
References
Br avo, J .L., Rocha, J .A., and Fair , J .R., "Mass Tr ansfer in Gauze Packings,"
Hydrocarbon Processing, J anuar y, 91 (1985).
Br avo, J .L., Rocha, J .A., and Fair , J .R., "A Compr ehensive Model for t he
Per for mance of Columns Cont aining St r uct ur ed Packings," ICHEME Symposium
Ser ies, 128, A439 (1992).
Chan, H. and Fair , J .R., "Pr edict ion of Point Efficiencies in Sieve Tr ays: 1. Binar y
Syst ems, 2. Mult icomponent Syst ems," Ind. Eng. Chem. Process Des. Dev., 23,
(1984) p. 814.
Gr est er , J .A., Hill, A.B., Hochgr af, N.N., and Robinson, D.G., "Tr ay Efficiencies
in Dist illat ion Columns," AIChE Repor t , (1958).
King, C.J ., S eparation Processes, Second Edit ion, McGr aw-Hill Company, (1980).
Kr ishna, R. and St andar t , G.L., "A Mult icomponent Film Model Incor por at ing a
Gener al Mat r ix Met hod of Solut ion t o t he Maxwell-St efan Equat ions," AIChE J .,
22, (1976) p. 383.
Onda, K., Takeuchi, H., and Okumot o, Y., "Mass Tr ansfer Coefficient s bet ween
Gas and Liquid Phases in Packed Columns," J . Chem. Eng., J apan, 1, (1968) p.
56.
Per r y, R.H. and Chilt on, C.H., "Chemical Engineer s’ Handbook," Fift h Edit ion,
McGr aw-Hill Book Company, Sect ion 18 (1973).
Scheffe, R.D. and Weiland, R.H., "Mass Tr ansfer Char act er ist ics of Valve Tr ays,"
Ind. Eng. Chem. Res., 26, (1987) p. 228.
4-86 Unit Oper at ion Models
Ver sion 10
Columns
Unit Oper at ion Models 4-87
Ver sion 10
Chapter 4
Extract
Rigorous Extraction
Ext r act is a r igor ous model for simulat ing liquid-liquid ext r act or s. It can have
mult iple feeds, heat er /cooler s, and side st r eams. Ext r act can calculat e
dist r ibut ion coefficient s using:
• An act ivit y coefficient model or equat ion of st at e capable of r epr esent ing t wo
liquid phases
• A built -in t emper at ur e-dependent cor r elat ion (KLL Cor r elat ion sheet )
• A For t r an subr out ine (KLL Subr out ine sheet )
Alt hough equilibr ium st ages ar e assumed, you can specify component or st age
separ at ion efficiencies. Ext r act can be used only for r at ing calculat ions.
You can define pseudopr oduct st r eams (Repor t PseudoSt r eams sheet ) t o
r epr esent ext r act or int er nal flows. You can use For t r an and sensit ivit y blocks t o
var y configur at ion par amet er s, such as feed locat ion or number of st ages.
Flowsheet Connecti vi ty for Extract
L1 Phase
L1 Phase
L2 Phase
Side products
(any number) (any number)
Side feeds
L2 Phase
Nstage
1
Materi al Streams
Inlet One mat er ial st r eam t o t he fir st (t op) st age, r ich in t he fir st liquid phase
(L1)
One mat er ial st r eam t o t he last (bot t om) st age, r ich in t he second liquid
phase (L2)
One mat er ial st r eam per int er mediat e st age (opt ional)
Outlet One mat er ial st r eam for L1 fr om t he last st age
One mat er ial st r eam for L2 fr om t he fir st st age
Up t o t wo side pr oduct st r eams per st age, one for L1 and one for L2
(opt ional)
4-88 Unit Oper at ion Models
Ver sion 10
Columns
Speci fyi ng Extract
Ext r act can oper at e in one of t he following ways:
• Adiabat ically (default )
• At a specified t emper at ur e
• Wit h specified st age heat er or cooler dut ies
You must specify:
• Number of st ages
• Feed and pr oduct st r eam st age locat ions
• Side pr oduct st r eam phase and mole flow r at e
• Pr essur e pr ofile
The fir st liquid phase (L1) flows fr om t he fir st st age t o t he last st age. The second
(L2) flows in t he opposit e dir ect ion. You must ident ify t he key component s in each
phase using L1-Comps and L2-Comps on t he Set up for m. Ext r act can t r eat phase
L1 as t he solvent /ext r act phase or t he feed/r affinat e phase.
Liquid-liquid dist r ibut ion coefficient s ar e r equir ed t o r epr esent t he liquid-liquid
equilibr ium. Ext r act calculat es t hese coefficient s using one of t he following
met hods:
You can use You enter On sheet
Any physical property method that can
represent two liquid phases
A global property method or an Opset
name to override the global physical
property method
BlockOptions Properties
A built-in temperature-dependent
polynomial
Polynomial coefficients Properties KLL Correlation
A Fortran subroutine Subroutine name Properties KLL Subroutine
Use t he following for ms t o ent er specificat ions and view r esult s for Ext r act :
Use this form To do this
Setup Specify basic column configuration and operating conditions
Efficiencies Specify stage or component efficiencies
Properties Specify parameters for KLL correlations and KLL subroutines
Estimates Specify initial estimates for stage temperatures and compositions
Convergence Specify convergence parameters and block-specific diagnostic message levels
Report Specify block-specific report options and pseudostream information
continued
Unit Oper at ion Models 4-89
Ver sion 10
Chapter 4
Use this form To do this
Block Options Override global values for physical properties, simulation options, diagnostic message
levels, and report options for this block
Results View column performance summary, material and energy balance results, and split
fractions
Profiles View extractor profiles
Dynamic Specify parameters for dynamic simulations
See AS PEN PLUS User Models for mor e infor mat ion about For t r an subr out ines.
y y y y
4-90 Unit Oper at ion Models
Ver sion 10
Columns
Unit Oper at ion Models 5-1
Ver sion 10
Chapter 5
5 Reactors
This chapt er descr ibes t he unit oper at ion models for r eact or s. The models ar e:
Model Description Purpose Use For
RStoic Stoichiometric reactor Models stoichiometric
reactor with specified
reaction extent or
conversion
Reactors where reaction kinetics are unknown
or unimportant but stoichiometry and extent of
reaction are known
RYield Yield reactor Models reactor with
specified yield
Reactors where stoichiometry and kinetics are
unknown or unimportant but a yield distribution
is known
REquil Equilibrium reactor Performs chemical and
phase equilibrium by
stoichiometric calculations
Reactors with simultaneous chemical
equilibrium and phase equilibrium
RGibbs Equilibrium reactor with
Gibbs energy minimization
Performs chemical and
phase equilibrium by Gibbs
energy minimization
Reactors with phase equilibrium or
simultaneous phase and chemical equilibrium.
Calculating phase equilibrium for solid
solutions and vapor-liquid-solid systems.
RCSTR Continuous stirred tank
reactor
Models continuous stirred
tank reactor
One-, two, or three-phase stirred tank reactors
with rate-controlled and equilibrium reactions in
any phase based on known stoichiometry and
kinetics
RPlug Plug flow reactor Models plug flow reactor One-, two-, or three-phase plug flow reactors
with rate-controlled reactions in any phase
based on known stoichiometry and kinetics
RBatch Batch reactor Models batch or semi-batch
reactor
One-, two-, or three-phase batch and semi-
batch reactors with rate-controlled reactions in
any phase based on known stoichiometry and
kinetics
RCSTR, RPlug, and RBat ch ar e kinet ic r eact or models. Use t he React ions
React ions for m t o define t he r eact ion st oichiomet r y and dat a for t hese models.
5-2 Unit Oper at ion Models
Ver sion 10
Reactors
You do not need t o specify heat s of r eact ion, because ASPEN PLUS uses t he
element al ent halpy r efer ence st at e for t he definit ion of t he component heat of
for mat ion. Ther efor e, heat s of r eact ion ar e account ed for in t he mixt ur e ent halpy
calculat ions for t he r eact ant s ver sus t he pr oduct s.
RStoi c
Stoichiometric Reactor
Use RSt oic t o model a r eact or when:
• React ion kinet ics ar e unknown or unimpor t ant and
• St oichiomet r y and t he molar ext ent or conver sion is known for each r eact ion
RSt oic can model r eact ions occur r ing simult aneously or sequent ially. In addit ion,
RSt oic can per for m pr oduct select ivit y and heat of r eact ion calculat ions.
Flowsheet Connecti vi ty for RStoi c
Material
Water (optional)
Heat (optional)
Material
(any number)
Heat
(optional)
Materi al Streams
Inlet At least one mat er ial st r eam
Outlet One pr oduct st r eam
One wat er decant st r eam (opt ional)
Unit Oper at ion Models 5-3
Ver sion 10
Chapter 5
Heat Stream
Inlet Any number of heat st r eams (opt ional)
RSt oic uses t he sum of t he inlet heat st r eams as t he heat dut y specificat ion, if
you do not specify an out let heat st r eam.
Outlet One heat st r eam (opt ional)
The value of t he out let heat st r eam is t he net heat dut y (sum of t he inlet heat
st r eams minus t he calculat ed heat dut y) for t he r eact or .
Speci fyi ng RStoi c
Use t he Set up Specificat ions sheet t o specify t he r eact or oper at ing condit ions and
t o select t he phases t o consider in flash calculat ions in t he r eact or .
Use t he Set up React ions sheet t o define t he r eact ions occur r ing in t he r eact or .
You must specify t he st oichiomet r y for each r eact ion. In addit ion, you must
specify eit her t he molar ext ent or t he fr act ional conver sion for all r eact ions.
When solids ar e cr eat ed or changed by t he r eact ions, you may specify t he
component at t r ibut es and t he par t icle size dist r ibut ion in t he out let st r eam using
t he Set up Component At t r . sheet and t he Set up PSD sheet r espect ively.
If you wish t o calculat e t he heat s of r eact ion , use t he Set up Heat of React ion
sheet t o specify t he r efer ence component for each r eact ion defined in t he Set up
React ions sheet . You may also choose t o specify t he heat s of r eact ion, and RSt oic
adjust s t he calculat ed r eact or dut y, if needed.
If you wish t o calculat e pr oduct select ivit ies use t he Set up Select ivit y sheet t o
specify t he select ed pr oduct component and t he r efer ence r eact ant component .
Use t he following for ms t o ent er specificat ions and view r esult s for RSt oic:
Use this form To do this
Setup Specify operating conditions, reactions, reference conditions for heat of reaction
calculations, product and reactant components for selectivity calculations, particle size
distribution, and component attributes
Convergence Specify estimates and convergence parameters for flash calculations
BlockOptions Override global values for physical properties, simulation options, diagnostic message
levels, and report options for this block
Results View summary of operating results, mass and energy balances, heats of reaction,
product selectivities, reaction extents, and phase equilibrium results for the outlet
stream
Dynamic Specify parameters for dynamic simulations
5-4 Unit Oper at ion Models
Ver sion 10
Reactors
Heat of Reacti on
RSt oic calculat es t he heat of r eact ion fr om t he heat s of for mat ion in t he
dat abanks when you select t he Calculat e Heat of React ion opt ion on t he Set up
Heat of React ion sheet . The heat s of r eact ion ar e calculat ed at t he specified
r efer ence condit ions based on consumpt ion of a unit mole or mass of t he r efer ence
r eact ant select ed for each r eact ion. The following r efer ence condit ions ar e used
by default :
Specification Default
Reference temperature 25 °C
Reference pressure 1 atm
Reference fluid phase Vapor phase
You can also use t he Set up Heat of React ion sheet t o specify t he heat s of
r eact ion. The specified heat of r eact ion may differ fr om t he heat of r eact ion t hat
ASPEN PLUS comput es fr om t he heat s of for mat ion at r efer ence condit ions. If
t his occur s, RSt oic adjust s t he calculat ed r eact or heat dut y t o r eflect t he
differ ences. Under t hese cir cumst ances, t he calculat ed r eact or heat dut y will not
be consist ent wit h t he inlet and out let st r eam ent halpies.
Selecti vi ty
The select ivit y of t he select ed component P t o t he r efer ence component A is
defined as:
S
P
A
P
A
P A ,
·

¸

1
]
1

¸

1
]
1




Real
Ideal
Wher e:
∆P = Change in number of moles of component P due t o r eact ion
∆A = Change in number of moles of component A due t o r eact ion
In t he numer at or , real r epr esent s changes t hat act ually occur in t he r eact or .
ASPEN PLUS obt ains t his value fr om t he mass balance bet ween t he inlet and
out let .
Unit Oper at ion Models 5-5
Ver sion 10
Chapter 5
In t he denominat or , ideal r epr esent s changes accor ding t o an idealized r eact ion
scheme. This scheme assumes t hat no r eact ions ar e pr esent , except for t he
r eact ion t hat pr oduces t he select ed component fr om t he r efer ence component .
Ther efor e, t he denominat or indicat es how many moles of P ar e pr oduced per
mole of A consumed in an ideal st oichiomet r ic equat ion, or :


P
A
Ideal
P
A

¸

1
]
1
·
υ
υ
wher e υ
A
and υ
P
ar e st oichiomet r ic coefficient s.
This example shows how RSt oic calculat es select ivit y:
a1 A + b1 B → c1 C + d1 D
c2 C + e2 E → p2 P
a3 A + f3 F → q3 Q
The select ivit y of P t o A is:
S
Moles of P produced
Moles of A consumed
c p
a c
P A ,
/ ·

¸

1
]
1

¸

1
]
1
1 2
1 2
In most cases, select ivit y r anges bet ween 0 and 1. However , if t he select ed
component is also pr oduced fr om component s ot her t han t he r efer ence
component , select ivit y may be gr eat er t han 1. If t he select ed component is
consumed in ot her r eact ions, select ivit y may be less t han 0.
5-6 Unit Oper at ion Models
Ver sion 10
Reactors
RYi eld
Yield Reactor
Use RYield t o model a r eact or when:
• React ion st oichiomet r y is unknown or unimpor t ant
• React ion kinet ics ar e unknown or unimpor t ant
• Yield dist r ibut ion is known
You must specify t he yields (per mass of t ot al feed, excluding any iner t
component s) for t he pr oduct s or calculat e t hem in a user -supplied For t r an
subr out ine. RYield nor malizes t he yields t o maint ain a mass balance. RYield can
model one-, t wo-, and t hr ee-phase r eact or s.
Flowsheet Connecti vi ty for RYi eld
Material
Water (optional)
Heat (optional)
Material
(any number)
Heat
(optional)
Materi al Streams
Inlet At least one mat er ial st r eam
Outlet One pr oduct st r eam
One wat er decant st r eam (opt ional)
Heat Streams
Inlet Any number of heat st r eams (opt ional)
Outlet One heat st r eam (opt ional)
Unit Oper at ion Models 5-7
Ver sion 10
Chapter 5
If you give only one specificat ion on t he Set up Specificat ions sheet (t emper at ur e
or pr essur e), RYield uses t he sum of t he inlet heat st r eams as a dut y
specificat ion. Ot her wise, RYield uses t he inlet heat st r eam(s) only t o calculat e
t he net heat dut y. The net heat dut y is t he sum of t he inlet heat st r eams minus
t he act ual (calculat ed) heat dut y.
You can use an out let heat st r eam for t he net heat dut y.
Speci fyi ng RYi eld
Use t he Set up Specificat ions and Set up Yield sheet s t o specify t he r eact or
condit ions and t he component yields. For each r eact ion pr oduct , specify t he yield
as eit her moles or mass of a component per unit mass of feed. If you specify iner t
component s on t he Set up Yield sheet , t he yields will be based on unit mass of
non-iner t feed.
Calculat ed yields ar e nor malized t o maint ain an over all mat er ial balance. For
t his r eason, yield specificat ions est ablish a yield dist r ibut ion, r at her t han
absolut e yields. RYield does not maint ain at om balances because you ent er t he
fixed yield dist r ibut ion.
You can r equest one-, t wo-, or t hr ee-phase calculat ion.
When solids ar e cr eat ed or changed by t he r eact ions, you can specify t heir
component at t r ibut es and/or par t icle size dist r ibut ion in t he out let st r eam using
t he Set up Component At t r . and Set up PSD sheet s, r espect ively.
Use t he following for ms t o ent er specificat ions and view r esult s for RYield:
Use this form To do this
Setup Specify reactor operating conditions, component yields, inert components, flash
convergence parameters, and PSD and component attributes for the outlet stream
UserSubroutine Specify subroutine name and parameters for the user-supplied yield subroutine
BlockOptions Override global values for physical properties, simulation options, diagnostic message
levels, and report options for this block
Results View summary of operating results, mass and energy balances for the reactor and
phase equilibrium results for the outlet stream
Dynamic Specify parameters for dynamic simulations
5-8 Unit Oper at ion Models
Ver sion 10
Reactors
REqui l
Equilibrium Reactor
Use REquil t o model a r eact or when:
• React ion st oichiomet r y is known and
• Some or all r eact ions r each chemical equilibr ium
REquil calculat es simult aneous phase and chemical equilibr ium. REquil allows
r est r ict ed chemical equilibr ium specificat ions for r eact ions t hat do not r each
equilibr ium. REquil can model one- and t wo-phase r eact or s.
Flowsheet Connecti vi ty for REqui l
Heat (optional)
Material (vapor phase)
Material (liquid phase)
Material
(any number)
Heat
(optional)
Materi al Streams
Inlet At least one mat er ial st r eam
Outlet One mat er ial st r eam for t he vapor phase
One mat er ial st r eam for t he liquid phase
Heat Streams
Inlet Any number of heat st r eams (opt ional)
Outlet One heat st r eam (opt ional)
If you give only one specificat ion on t he REquil Input Specificat ions sheet
(t emper at ur e or pr essur e), REquil uses t he sum of t he inlet heat st r eams as a
dut y specificat ion. Ot her wise, REquil uses t he inlet heat st r eam(s) only t o
calculat e t he net heat dut y. The net heat dut y is t he sum of t he inlet heat
st r eams minus t he act ual (calculat ed) heat dut y.
You can use an out let heat st r eam for t he net heat dut y.
Unit Oper at ion Models 5-9
Ver sion 10
Chapter 5
Speci fyi ng REqui l
You must specify t he r eact ion st oichiomet r y and t he r eact or condit ions. If no
addit ional specificat ions ar e given, REquil assumes t hat t he r eact ions will r each
equilibr ium.
REquil calculat es equilibr ium const ant s fr om t he Gibbs ener gy. You can r est r ict
t he equilibr ium by specifying one of t he following:
• The molar ext ent for any r eact ion
• A t emper at ur e appr oach t o chemical equilibr ium (for any r eact ion)
If you specify t emper at ur e appr oach, ∆T, REquil evaluat es t he chemical
equilibr ium const ant at T + ∆T, wher e T is t he r eact or t emper at ur e (specified or
calculat ed).
REquil per for ms single-phase pr oper t y calculat ions or t wo-phase flash
calculat ions nest ed inside a chemical equilibr ium loop. REquil cannot per for m
t hr ee-phase calculat ions.
Use t he following for ms t o ent er specificat ions and view r esult s for REquil:
Use this form To do this
Input Specify reactor operating conditions, valid phases, reactions, convergence
parameters, and solid and liquid entrainment in the vapor stream
Block Options Override global values for physical properties, simulation options, diagnostic
message levels, and report options for this block
Results View summary of operating results, mass and energy balances, and calculated
chemical equilibrium constants
Soli ds
React ions can include convent ional solids. REquil t r eat s each par t icipat ing solid
component as a separ at e pur e solid phase, not as a component in a solid solut ion.
Any par t icipat ing solids must have a fr ee ener gy for mat ion (DGSFRM) and
ent halpy of for mat ion (DHSFRM), or heat capacit y par amet er s (CPSXP1).
Solids not par t icipat ing in r eact ions, including any nonconvent ional component s,
ar e t r eat ed as iner t . These solids have no effect on t he equilibr ium calculat ions
except on t he ener gy balance.
5-10 Unit Oper at ion Models
Ver sion 10
Reactors
RGi bbs
Equilibrium Reactor (Gibbs Free Energy Minimization)
RGibbs uses Gibbs fr ee ener gy minimizat ion wit h phase split t ing t o calculat e
equilibr ium. RGibbs does not r equir e t hat you specify t he r eact ion st oichiomet r y.
Use RGibbs t o model r eact or s wit h:
• Single phase (vapor or liquid) chemical equilibr ium
• Phase equilibr ium (an opt ional vapor and any number of liquid phases) wit h
no chemical r eact ions
• Phase and/or chemical equilibr ium wit h solid solut ion phases
• Simult aneous phase and chemical equilibr ium
RGibbs can also calculat e t he chemical equilibr ia bet ween any number of
convent ional solid component s and t he fluid phases. RGibbs also allows
r est r ict ed equilibr ium specificat ions for syst ems t hat do not r each complet e
equilibr ium.
Flowsheet Connecti vi ty for RGi bbs
Material
(any number)
Material
(any number)
Heat
(optional)
Heat
(optional)
Materi al Streams
Inlet At least one mat er ial st r eam
Outlet At least one mat er ial st r eam
If you specify as many out let st r eams as t he number of phases t hat RGibbs
calculat es, RGibbs assigns each phase t o an out let st r eam. If you specify fewer
out let st r eams, RGibbs assigns t he addit ional phases t o t he last out let st r eam.
Unit Oper at ion Models 5-11
Ver sion 10
Chapter 5
Heat Streams
Inlet Any number of heat st r eams (opt ional)
Outlet One heat st r eam (opt ional)
If you specify only pr essur e on t he Set up Specificat ions sheet , RGibbs uses t he
sum of t he inlet heat st r eams as a dut y specificat ion. Ot her wise, RGibbs uses t he
inlet heat st r eam(s) only t o calculat e t he net heat dut y. The net heat dut y is t he
sum of t he inlet heat st r eams minus t he act ual (calculat ed) heat dut y.
You can use an out let heat st r eam for t he net heat dut y.
Speci fyi ng RGi bbs
This sect ion descr ibes how t o specify:
• Phase equilibr ium only
• Phase and chemical equilibr ium
• Rest r ict ed chemical equilibr ium
• React ions
• Solids
Use t he following for ms t o ent er specificat ions and view r esult s for RGibbs:
Use this form To do this
Setup Specify reactor operating conditions and phases to consider in equilibrium
calculations, identify possible products, assign phases to outlet streams, specify
inert components and specify equilibrium restrictions.
Advanced Specify atomic formula of components, estimates for temperature and component
flows, and convergence parameters.
Block Options Override global values for physical properties, simulation options, diagnostic
message levels and report options for this block.
Results View summary of operating results, mass and energy balances, molar
compositions of fluid and solid phases present, the atomic formula of
components, and calculated reaction equilibrium constants.
Dynamic Specify parameters for dynamic simulations
5-12 Unit Oper at ion Models
Ver sion 10
Reactors
Phase Equi li bri um Only
To specify Use this option On
Phase equilibrium
calculations only
Phase Equilibrium Only Setup Specifications sheet
Maximum number of fluid
phases that RGibbs should
consider
Maximum Number of Fluid
Phases
Setup Specifications sheet
Maximum number of solid
solution phases
Maximum Number of Solid
Solution Phases
Solid Phases dialog box from the Setup
Specifications sheet
RGibbs dist r ibut es all species among all solut ion phases by default . You can use
t he Set up Pr oduct s sheet t o assign differ ent set s of species t o each solut ion
phase. You can also assign differ ent t her modynamic pr oper t y met hods t o each
phase.
If t her e is a possibilit y t hat a solid solut ion phase may exist , use t he Set up
Pr oduct s sheet t o ident ify t he species t hat will exist in t hat phase.
Phase Equi li bri um and Chemi cal Equi li bri um
To specify Use this option On
Chemical equilibrium
calculations (with or without
phase equilibrium)
Phase Equilibrium and
Chemical Equilibrium
Setup Specifications sheet
Maximum number of fluid
phases that RGibbs should
consider
Maximum Number of Fluid
Phases
Setup Specifications sheet
Maximum number of solid
solution phases
Maximum Number of Solid
Solution Phases
Solid Phases dialog box from the Setup
Specifications sheet
By default , RGibbs consider s all component s ent er ed on t he Component s
Specificat ions Select ion sheet as possible fluid phase or solid pr oduct s. You can
specify an alt er nat e list of pr oduct s on t he Set up Pr oduct s sheet .
RGibbs dist r ibut es all solut ion species among all solut ion phases by default . You
can use t he Set up Pr oduct s sheet t o assign differ ent set s of species t o each
solut ion phase. You can also assign differ ent t her modynamic pr oper t y met hods t o
each phase.
Unit Oper at ion Models 5-13
Ver sion 10
Chapter 5
RGibbs needs t he molecular for mula for each component t hat is pr esent in a feed
or pr oduct st r eam. RGibbs r et r ieves t his infor mat ion fr om t he component
dat abanks. For non-dat abank component s, use t he Pr oper t ies Molec-St r uct
For mula sheet t o ent er :
• At om (t he at om t ype)
• Number of occur r ences (t he number of at oms of each t ype)
Alt er nat ively, you can ent er t he at om mat r ix on t he Advanced At om Mat r ix
sheet . The at om mat r ix defines t he number of each at om in each component . If
you ent er t he at om mat r ix, you must ent er it for all component s and at oms,
including dat abank component s.
If t her e is a possibilit y t hat a solid solut ion phase may exist , use t he Set up
Pr oduct s sheet t o ident ify t he species which will exist in t hat phase.
Restri cted Chemi cal Equi li bri um
To r est r ict chemical equilibr ium:
Specify On
The molar extent of the reaction Edit Reactions dialog box (from the Setup
RestrictedEquilibrium sheet)
A temperature approach to equilibrium for individual reactions Edit Reactions dialog box (from the Setup
RestrictedEquilibrium sheet)
A temperature approach to chemical equilibrium for the entire system Edit Reactions dialog box (from the Setup
RestrictedEquilibrium sheet)
The outlet amount of any component as total mole flow or as a fraction of
the feed of that component
Setup Inerts sheet


You can specify inert components by setting the fraction to 1.
For t emper at ur e appr oach specificat ions, RGibbs evaluat es t he chemical
equilibr ium const ant at T T + ∆ , wher e T is t he act ual r eact or t emper at ur e
(specified or calculat ed) and ∆T is t he desir ed t emper at ur e appr oach.
You can ent er one of t he following r est r ict ed equilibr ium specificat ions for
individual r eact ions:
• The molar ext ent of a r eact ion
• The t emper at ur e appr oach for an individual r eact ion
Use t he Set up Rest r ict edEquilibr ium sheet t o supply t he r eact ion st oichiomet r y.
If you ent er one of t he pr eceding specificat ions, you must also supply t he
st oichiomet r y for a set of linear ly independent r eact ions involving all component s
in t he syst em.
5-14 Unit Oper at ion Models
Ver sion 10
Reactors
Reacti ons
You can have RGibbs consider only a specific set of r eact ions. You can r est r ict t he
chemical equilibr ium by specifying t emper at ur e appr oach or molar ext ent for t he
r eact ions. You must specify t he st oichiomet r ic coefficient s for a complet e set of
linear ly independent chemical r eact ions, even if only one r eact ion is r est r ict ed.
The number of linear ly independent r eact ions r equir ed equals t he t ot al number
of pr oduct s in t he pr oduct list , including solids (see t he Set up Pr oduct s sheet ),
minus t he number of at oms pr esent in t he syst em. The r eact ions must involve all
par t icipat ing component s. A component is par t icipat ing if it sat isfies t hese
cr it er ia:
• It is in t he pr oduct list .
• It is not iner t . A component is iner t if it consist s ent ir ely of at oms not pr esent
in any ot her pr oduct component s.
• It has not been dr opped. A component list ed on t he Set up Pr oduct s sheet is
dr opped if it cont ains an at om not pr esent in t he feed.
Soli ds
RGibbs can calculat e t he chemical equilibr ia bet ween any number of
convent ional solid component s and t he fluid phases. RGibbs det ect s whet her t he
solid is pr esent at equilibr ium, and if so, calculat es t he amount . RGibbs t r eat s
each solid component as a pur e solid phase, unless it is specified as a component
in a solid solut ion. Any solid t hat RGibbs consider s a pr oduct must have bot h:
• Fr ee ener gy of for mat ion (DGSFRM or CPSXP1)
• Heat of for mat ion (DHSFRM or CPSXP1)
Nonconvent ional solids ar e t r eat ed as iner t and have no effect on equilibr ium
calculat ions. If chemical equilibr ium is not consider ed, RGibbs t r eat s all solids as
iner t . RGibbs cannot per for m solids-phase-only calculat ions.
RGibbs places all pur e solids in t he last out let st r eam unless you specify
ot her wise on t he Set up AssignSt r eams sheet . RGibbs can handle only a single
CISOLID subst r eam, which cont ains all convent ional solids pr oduct s defined as
pur e solid phases. RGibbs places t he solid solut ion phases in t he MIXED
subst r eam of t he out let st r eam(s).
RGibbs cannot dir ect ly handle phase equilibr ium bet ween solids and fluid phases
(for example, wat er -ice equilibr ium). To wor k ar ound t his, you can list t he same
component t wice on t he Component s Specificat ions Select ion sheet , wit h
differ ent component IDs. If you want RGibbs t o calculat e t he chemical
equilibr ium bet ween t hese component s:
• Specify bot h component IDs on t he Set up Pr oduct s sheet .
• Designat e one ID as a solids phase component , t he ot her as a fluid phase
component .
Unit Oper at ion Models 5-15
Ver sion 10
Chapter 5
References
Gaut am, R. and Seider , W.D., "Comput at ion of Phase and Chemical
Equilibr ium," Par t s I, II, and III, AIChE J . 25, 6, November , 1979, pp. 991-1015.
Whit e, C.W. and Seider , W.D., "Comput at ion of Phase and Chemical
Equilibr ium: Appr oach t o Chemical Equilibr ium," AIChE J ., 27, 3, May, 1981,
pp. 446-471.
Schot t , G. L., "Comput at ion of Rest r ict ed Equilibr ia by Gener al Met hods," J .
Chem. Phys., 40, 1964.
5-16 Unit Oper at ion Models
Ver sion 10
Reactors
RCSTR
Continuous Stirred Tank Reactor
RCSTR r igor ously models cont inuous st ir r ed t ank r eact or s. RCSTR can model
one-, t wo-, or t hr ee-phase r eact or s. RCSTR assumes per fect mixing in t he
r eact or , t hat is, t he r eact or cont ent s have t he same pr oper t ies and composit ion as
t he out let st r eam.
RCSTR handles kinet ic and equilibr ium r eact ions as well as r eact ions involving
solids. You can pr ovide t he r eact ion kinet ics t hr ough t he built -in React ions
models or t hr ough a user -defined For t r an subr out ine.
Flowsheet Connecti vi ty for RCSTR
Material
Heat (optional)
Material
(any number)
Heat
(optional)
Materi al Streams
Inlet At least one mat er ial st r eam
Outlet One mat er ial st r eam
Heat Streams
Inlet Any number of heat st r eams (opt ional)
Outlet One heat st r eam (opt ional)
If you specify only pr essur e on t he Set up Specificat ions sheet , RCSTR uses t he
sum of t he inlet heat st r eams as a dut y specificat ion. Ot her wise, RCSTR uses t he
inlet heat st r eam only t o calculat e t he net heat dut y. The net heat dut y is t he
sum of t he inlet heat st r eams minus t he act ual (calculat ed) heat dut y.
You can use an out let heat st r eam for t he net heat dut y.
Unit Oper at ion Models 5-17
Ver sion 10
Chapter 5
Speci fyi ng RCSTR
You must specify t he r eact or oper at ing condit ions, which ar e pr essur e and eit her
t emper at ur e or heat dut y. You must also ent er t he r eact or volume or r esidence
t ime (over all or phase).
Use t he following for ms t o ent er specificat ions and view r esult s for RCSTR:
Use this form To do this
Setup Specify reactor operating conditions and holdup, select the reaction sets to be included,
and specify PSD and component attributes in the outlet stream
Convergence Provide estimates for component flow rates, reactor temperature and volume, and specify
flash convergence parameters, RCSTR convergence methods and parameters, and
initialization options
UserSubroutine Specify parameters for the user-supplied kinetics subroutine and block-specific report
option for the kinetics subroutine
BlockOptions Override global values for physical properties, simulation options, diagnostic message
levels, and report options for this block
Results View summary of operating results and mass and energy balances for the block
Dynamic Specify parameters for dynamic simulations
Reacti ons
You must specify r eact ion kinet ics on t he React ions React ions for ms and select
t he React ion Set ID on t he Set up React ions sheet .
You can specify one-, t wo-, or t hr ee-phase calculat ions. You can specify t he phase
for each r eact ion on t he React ions React ions for ms. RCSTR can handle kinet ic
and equilibr ium t ype r eact ions.
Phase Volume
In a mult i-phase r eact or , by default , ASPEN PLUS calculat es t he volume of each
phase, using phase equilibr ium r esult s, as:
V V
V f
V f
Pi R
i i
j j
·
Σ
Wher e:
V
Pi
= Volume of phase i
V
R
= React or volume
V
i
= Molar volume of phase i
f
i
= Molar fr act ion of phase i
5-18 Unit Oper at ion Models
Ver sion 10
Reactors
You can over r ide t he default calculat ion by specifying t he volume of a phase
dir ect ly (Phase Volume) or as a fr act ion of t he r eact or volume (Phase Volume
Fr ac) on t he Set up Specificat ions sheet .
Alt er nat ively, when you specify t he r esidence t ime of a phase in t he r eact or ,
ASPEN PLUS calculat es t he phase volume it er at ively.
Resi dence Ti me
ASPEN PLUS calculat es t he r esidence t ime (over all and phase) in t he CSTR as:
RT
V
F f V
R
i i
·
* Σ
RT
V
F f V
i
Pi
i i
·
*
Wher e:
RT = Over all r esidence t ime
RT
i
= Residence t ime of phase i
V
R
= React or volume
F = Tot al molar flow r at e (out let )
V
i
= Molar volume of phase i
f
i
= Molar fr act ion of phase i
V
Pi
= Volume of phase i
When t he default calculat ion for phase volume, based on phase equilibr ium
r esult s, is used, t he phase r esidence t ime is equal for all phases. If you specify
Phase Volume or Phase Volume Fr ac on t he Set up Specificat ions sheet , t he
r esidence t ime for t he phase specified in t he Holdup Phase is calculat ed wit h t he
specified phase volume r at her t han t he default phase volume.
Soli ds
RCSTR can handle r eact ions involving solids. RCSTR assumes t hat solids ar e at
t he same t emper at ur e as t he fluid phase. RCSTR cannot per for m solids-phase-
only calculat ions.
Unit Oper at ion Models 5-19
Ver sion 10
Chapter 5
Scali ng of Vari ables
Four t ypes of var iables ar e pr edict ed by RCSTR: component flow r at es, st r eam
ent halpy, component at t r ibut es and PSD (if pr esent ). RCSTR nor malizes t hese
var iables, for fast er conver gence, by dividing each one by a scale fact or .
Two t ypes of scaling ar e available in RCSTR: component -based scaling and
subst r eam-based scaling. Component -based scaling weighs each var iable against
it s pr evious or est imat ed value. Subst r eam-based scaling weighs each var iable in
a subst r eam against t he subst r eam flow r at e. For component -based scaling,
minimum scale values ar e set by t he Tr ace Scaling Fact or in t he Advanced
Par amet er s dialog box (fr om t he Conver gence Par amet er s sheet ). You may
r educe t he t r ace scaling t hr eshold t o incr ease t he pr edict ion accur acy of t r ace
component s.
Component -based scaling gener ally pr ovides mor e accur acy t han subst r eam-
based scaling, especially for t r ace component s. Use component -based scaling
when:
• The r eact ion net wor k involves t r ace int er mediat es
• The r eact ion r at es ar e ver y sensit ive t o t r ace r eact ant s (such as cat alyst s and
init iat or s which par t icipat e in degr adat ion r eact ions)
The following t ables summar ize t he scale fact or s used by each met hod.
Substream-based Scaling Method
Variable Type Variable Initial Scale Factor
Component Flows Component mole flow in
outlet stream
Estimated outlet substream mole flow rate
Stream Enthalpy Net enthalpy flow of outlet
stream
Net enthalpy flow of inlet stream
Component Attributes
(attr/kg)
Product of component mass
flow (with attributes) and
attribute value in outlet
stream
Default attribute scale factor
PSD Product of substream mass
flow rate (with PSD) and
PSD value in outlet stream
Default attribute scale factor
Note If any subst r eam-based scaling fact or is equal t o zer o, t he default
scaling fact or is used inst ead (t he default fact or is 1.0 for
component flow r at es and 1.0E5 for st r eam ent halpy).
5-20 Unit Oper at ion Models
Ver sion 10
Reactors
Component-based Scaling Method
Variable Type Variable Initial Scale Factor
Component Flows Component mole flow in
outlet stream
Larger of:
- Estimated component mole flow in outlet stream
- Product of Trace threshold and estimated outlet
substream mole flow
Stream Enthalpy Net enthalpy flow of outlet
stream
Net enthalpy flow of inlet stream
Component Attributes
(attr/kg)
Product of component mass
flow with attributes and
attribute value in outlet
stream
Larger of:
- Product of estimated attributed component mass flow
and estimated attribute value in outlet stream
- Product of Trace threshold and estimated outlet
substream mole flow
PSD Product of substream mass
flow rate and PSD value in
outlet stream
Larger of:
- Product of estimated substream mass flow with PSDs
and estimated PSD value in outlet stream
- Product of Trace threshold and default attribute scale
factor
Unit Oper at ion Models 5-21
Ver sion 10
Chapter 5
RPlug
Plug Flow Reactor
RPlug is a r igor ous model for plug flow r eact or s. RPlug assumes t hat per fect
mixing occur s in t he r adial dir ect ion and t hat no mixing occur s in t he axial
dir ect ion. RPlug can model one-, t wo-, or t hr ee-phase r eact or s. You can also use
RPlug t o model r eact or s wit h coolant st r eams (co-cur r ent or count er -cur r ent ).
RPlug handles kinet ic r eact ions, including r eact ions involving solids. You must
know t he r eact ion kinet ics when you use RPlug t o model a r eact or . You can
pr ovide t he r eact ion kinet ics t hr ough t he built -in React ions models or t hr ough a
user -defined For t r an subr out ine.
Flowsheet Connecti vi ty for RPlug
Material Material
Heat (optional)
Flowsheet Reactor without Coolant Stream
Material Material
Material Coolant
(optional)
Material Coolant
(optional)
Flowsheet Reactor with Coolant Stream
5-22 Unit Oper at ion Models
Ver sion 10
Reactors
Materi al Streams
Inlet One mat er ial feed st r eam
One coolant st r eam (opt ional)
Outlet One mat er ial pr oduct st r eam
One coolant st r eam (opt ional)
Heat Streams
Inlet No inlet heat st r eams
Outlet One heat st r eam (opt ional) for t he r eact or heat dut y. Use t he heat out let
st r eam only for r eact or s wit hout a coolant st r eam.
Speci fyi ng RPlug
Use t he Set up Configur at ion sheet t o specify r eact or t ube lengt h and diamet er . If
t he r eact or consist s of mult iple t ubes, you can also specify t he number of t ubes.
You can specify t he pr essur e dr op acr oss t he r eact or on t he Set up Pr essur e sheet .
Addit ional r equir ed input for RPlug depends on t he r eact or t ype.
When you use this
Reactor Type And solid phase is
And fluid and solid phase
temperatures are Specify
Reactor with specified
temperature
— — Reactor temperature, or
temperature profile
Adiabatic reactor Not present — No required specifications
Present Same No required specifications
Present Different U (fluid phase - solids phase)
Reactor with constant coolant
temperature
Not present — Coolant temperature, and
U (coolant - process stream)
Present Same Coolant temperature, and
U (coolant - process stream)
Present Different Coolant temperature,
U (coolant - fluid phase),
U (coolant - solids phase),
and
U (fluid phase - solids phase)
Reactor with co-current
coolant
Not present — U (coolant - process stream)
Present Same U (coolant - process stream)
continued
Unit Oper at ion Models 5-23
Ver sion 10
Chapter 5
When you use this
Reactor Type And solid phase is
And fluid and solid phase
temperatures are Specify
Reactor with co-current
coolant
Not present — U (coolant - process stream)
Present Same U (coolant - process stream)
Present Different U (coolant - fluid phase),
U (coolant - solids phase),
and
U (fluid phase - solids phase)
Reactor with counter-current
coolant
Not present — Coolant outlet temperature or
molar vapor fraction, and
U (coolant - process stream)
Present Same Coolant outlet temperature or
molar vapor fraction, and
U (coolant - process stream)
Present Different Coolant outlet temperature or
molar vapor fraction,
U (coolant - fluid phase),
U (coolant - solids phase),
and
U (fluid phase - solids phase)
For r eact or s wit h count er cur r ent ext er nal coolant , RPlug calculat es t he coolant
inlet t emper at ur e. The r esult over r ides your specified inlet coolant t emper at ur e.
You can use a design specificat ion t hat manipulat es t he coolant exit t emper at ur e
or vapor fr act ion t o achieve a specified coolant inlet t emper at ur e.
For r eact or s wit h an ext er nal coolant st r eam, you can use differ ent physical
pr oper t y met hods and opt ions (BlockOpt ions Pr oper t ies sheet ) for t he pr ocess
st r eam and t he coolant st r eam.
Use t he following for ms t o ent er specificat ions and view r esult s for RPlug:
Use this form To do this
Setup Specify operating conditions and reactor configuration, select reaction sets to be included,
and specify pressure drops
Convergence Specify flash convergence parameters, calculation options and parameters for the
integrator
Report Specify block-specific report options
UserSubroutine Specify user subroutine parameters for kinetics, heat transfer, pressure drop, and list user
variables to be included in the profile report
BlockOptions Override global values for property methods, simulation options, diagnostic levels, and
report options for this block
continued
5-24 Unit Oper at ion Models
Ver sion 10
Reactors
Use this form To do this
Results View summary of operating results and mass and energy balances for the block
Profiles View profiles versus reactor length for process stream conditions, coolant stream
conditions, properties, component and substream attributes, and user variables
Dynamic Specify parameters for dynamic simulations
Reacti ons
You must specify r eact ion kinet ics on t he Set up React ions sheet , by r efer r ing t o
React ion IDs t hat you select . You can specify one-, t wo-, or t hr ee-phase
calculat ions. Specify t he r eact ion phases on t he React ions React ions for ms. RPlug
can handle only kinet ic t ype r eact ions.
Soli ds
React ions can involve solids. Solids can be:
• At t he same t emper at ur e as t he fluid phases
• At a differ ent t emper at ur e fr om t he fluid phases (only for React or Types ot her
t han t he r eact or wit h specified t emper at ur e)
In t he lat t er case, you must specify t he heat t r ansfer coefficient s on t he Set up
Specificat ions sheet .
Unit Oper at ion Models 5-25
Ver sion 10
Chapter 5
RBatch
Batch Reactor
RBat ch is a r igor ous model for bat ch or semi-bat ch r eact or s. Use RBat ch when
you know t he kinet ics of t he r eact ions t aking place. You can specify any number
of cont inuous feed st r eams. A cont inuous vent is opt ional. The r eact ion r uns unt il
it r eaches a st op cr it er ion t hat you specify.
Bat ch oper at ions ar e unst eady-st at e pr ocesses. RBat ch uses holding t anks and
your specified cycle t imes t o pr ovide an int er face bet ween t he discr et e oper at ions
of t he bat ch r eact or and t he cont inuous st r eams used by ot her models.
RBat ch can model one-, t wo-, or t hr ee-phase r eact or s.
Flowsheet Connecti vi ty for RBatch
Vent
(optional)
Heat (optional)
Continuous feed
(any number)
Product
Batch charge
Materi al Streams
Inlet One bat ch char ge st r eam (r equir ed)
One or mor e cont inuous feed st r eams for semi-bat ch r eact or s (opt ional)
Outlet One pr oduct st r eam (r equir ed)
One vent st r eam for semi-bat ch r eact or s (opt ional)
Heat Streams
Inlet No inlet heat st r eams
Outlet One heat st r eam (opt ional)
5-26 Unit Oper at ion Models
Ver sion 10
Reactors
Speci fyi ng RBatch
Use t he Set up Specificat ions sheet t o specify t he r eact or condit ions.
Use t he Set up Oper at ions sheet t o specify:
• One or mor e st op cr it er ia
• Eit her a feed t ime or a bat ch cycle t ime
Ot her r equir ed input for RBat ch depends on r eact or t ype.
To est ablish t he pr essur e of t he vessel, ent er one of t he following specificat ions
on t he Set up Specificat ions sheet :
• Const ant pr essur e
• Pr essur e pr ofile
• React or volume
Use t he Set up Cont inuousFeeds sheet t o ent er mass flow r at es for t he cont inuous
feeds at any number of point s in t ime. You can t hus simulat e delayed feeds and
st ep changes in feeds.
For specified dut y r eact or s, you can specify eit her a const ant heat dut y or a heat
dut y pr ofile. For a r eact or wit h const ant dut y, RBat ch assumes adiabat ic
oper at ion if you do not specify a heat dut y.
For r eact or s wit h specified coolant t emper at ur e, you must specify:
• Coolant t emper at ur e
• An over -all heat t r ansfer coefficient
• Tot al heat t r ansfer ar ea
For const ant t emper at ur e and specified t emper at ur e r eact or s, RBat ch handles
t he t emper at ur e specificat ion in one of t he following ways:
• By assuming per fect cont r ol
• By int er pr et ing t he specified t emper at ur e(s) as t he set point (s) of a PID
cont r oller
Use t he following for ms t o ent er specificat ions and view r esult s for RBat ch:
Use this form To do this
Setup Specify operating conditions, select reaction sets to be included, specify operation stop
criteria, operation times, continuous feeds, and controller parameters
Convergence Specify convergence parameters for flash calculations, integration, and pressure
calculations
Report Specify block-specific report options for profiles and reactor, vent, and vent accumulator
property profiles
UserSubroutine Specify parameters for the user kinetics subroutine, name and parameters for the user heat
transfer subroutine, and user variables for the profile report.
continued
Unit Oper at ion Models 5-27
Ver sion 10
Chapter 5
Use this form To do this
Block Options Override global values for physical properties, simulation options, diagnostic message
levels, and report options for this block
Results View summary of block operating results and mass and energy balances
Profiles View time profiles of reactor conditions, compositions, continuous feed stream flows,
properties, component attributes, and user variables
Controller
RBat ch assumes per fect cont r ol when one of t hese condit ions exist s:
• Pr essur e in t he r eact or is conver ged upon (t hat is, r eact or volume is specified)
• A single-phase bat ch r eact or is used wit h no cont inuous feed st r eams
If RBat ch cannot assume per fect cont r ol, it int er pr et s t he specified
t emper at ur e(s) as t he set point (s) of a PID cont r oller . This int er pr et at ion occur s
when:
• A t wo-phase r eact or is used
• RBat ch per for ms pr essur e conver gence calculat ions (t hat is, r eact or volume is
specified)
• Cont inuous feeds ar e pr esent dur ing semi-bat ch oper at ion
Use t he Set up Cont r oller s sheet t o specify t he cont r oller t uning par amet er s.
The cont r oller equat ion is:
Q M K T T K I T T dt KD
d T T
dt
c
s s
s
t
· − + − +

¸

1
]
1

( ) ( / ) ( )
( )
0
Wher e:
Q = React or heat dut y (J /sec)
M
c
= React or char ge (kg)
K = Pr opor t ional gain (J /kg/K)
T = React or t emper at ur e (K)
T
s
= Temper at ur e set point (K)
I = Int egr al t ime (sec)
D = Der ivat ive t ime (sec)
t = Time (sec)
The gain fact or is a specific gain per unit mass.
5-28 Unit Oper at ion Models
Ver sion 10
Reactors
Reacti ons
React ions may or may not be pr esent in RBat ch. If t hey ar e, you must include t he
React ion Set IDs on t he Set up React ions sheet . You can specify one-, t wo-, or
t hr ee-phase calculat ions. You specify t he r eact ion phases on t he React ions
React ions for ms. RBat ch can only handle kinet ic t ype r eact ions.
Speci fyi ng Stop Cri teri a
A r eact ion r uns unt il one of your specified st op cr it er ia r eached. A st op cr it er ion
can be one of t he following:
• React ion t ime
• React or composit ion
• Vent accumulat or or cont inuous vent composit ion
• Conver sion of a component
• Amount of mat er ial in t he r eact or or vent accumulat or
• Vent flow r at e
• Temper at ur e in t he r eact or
• Vapor fr act ion in t he r eact or
• Any pr oper t y specified on t he Pr oper t ies Pr op-Set s Pr oper t ies sheet
As t he st op cr it er ion var iable appr oaches it s cut -off fr om above or below, you can
specify whet her or not RBat ch should halt t he r eact ion. If you specify mor e t han
one st op cr it er ion, RBat ch halt s t he r eact ion as soon as one of t he cr it er ia is
r eached. In addit ion, you must specify a halt t ime for t he r eact ion. If t he r eact ion
does not r each t he specified st op cr it er ia by t his t ime, RBat ch halt s t he r eact ion.
Cycle Ti me
You can specify a r eact or cycle t ime. Or , you can let RBat ch calculat e it fr om your
specified r eact ion and down t imes for dr aining, cleaning, and char ging t he
r eact or . If you do not specify r eact or cycle t ime, t hen specify a feed cycle t ime.
RBat ch uses t his t ime t o det er mine t he bat ch char ge, because t he r eact ion t ime
is not known at t he beginning of block execut ion.
Note If t he r eact or bat ch char ge st r eam is in a r ecycle loop, you must
specify t he r eact or cycle t ime.
Mass Balances
Because RBat ch uses differ ent cycle t imes t o calculat e t ime-aver aged flows,
RBat ch may not maint ain a mass balance ar ound t he block. For example,
suppose you specify a feed t ime of 30 minut es, but t he down t ime plus t he
calculat ed value r eact ion t ime equals 45 minut es. The r esult ing net mass flow
fr om t he r eact or is less t han t he char ge flow by a fact or of 45/30=1.5.
Unit Oper at ion Models 5-29
Ver sion 10
Chapter 5
Remember t hat t he mass balance per t ains t o t he t ime-aver aged inlet and out let
cont inuous st r eams. RBat ch always sat isfies a mass balance for it s own int er nal
bat ch comput at ions. If t her e is no cont inuous feed st r eam, t he mass balance
ar ound RBat ch closes only if t he cycle t ime is specified. This ensur es t hat t he
same t ime is used for aver aging t he bat ch change and pr oduct st r eams. If t her e is
a cont inuous feed st r eam, and it is not t ime-var ying, t he mass balance closes only
if t he cycle t ime is specified, and t he specified value is equal t o t he calculat ed
r eact ion t ime. In all ot her cases, t he mass balance ar ound RBat ch does not close,
alt hough t he composit ions, t emper at ur e, and so on ar e cor r ect .
Batch Operati on
RBat ch can oper at e in a bat ch or in semi-bat ch mode. The r eact or mode is
det er mined by t he st r eams you ent er on t he flowsheet . A semi-bat ch r eact or can
have a vent pr oduct st r eam, one or mor e cont inuous feed st r eams, or bot h. The
vent pr oduct st r eam exit s a vent accumulat or . It does not exit t he r eact or it self.
The vent accumulat or is for t he cont inuous (but t ime-var ying) vapor vent leaving
t he r eact or . The composit ion and t emper at ur e of each cont inuous feed st r eam
r emain const ant t hr oughout t he r eact ion. The flow r at e also r emains const ant ,
unless you specify a t ime pr ofile for t he flow r at e of a cont inuous st r eam.
Bat ch oper at ions ar e unst eady-st at e pr ocesses. Var iables like t emper at ur e,
composit ion, and flow r at e change wit h t ime, in cont r ast t o st eady-st at e
pr ocesses. To int er face RBat ch wit h a st eady-st at e flowsheet , it is necessar y t o
use t ime-aver aged st r eams.
Four t ypes of st r eams ar e associat ed wit h RBat ch, as follows:
Ba t ch Cha r ge The mat er ial t r ansfer r ed t o t he r eact or at t he st ar t of t he
r eact or cycle. The mass of t he bat ch char ge equals t he flow r at e of t he bat ch
char ge st r eam, mult iplied by t he feed cycle t ime. The mass of t he bat ch char ge is
equivalent t o accumulat ing t he bat ch char ge st r eam in a holding t ank dur ing a
r eact or cycle. The cont ent s of t he holding t ank ar e t r ansfer r ed t o t he r eact or at
t he beginning of t he next cycle . (See figur e RBat ch React or Configur at ion - No
Vent Case.)
To comput e t he amount of t he bat ch char ge, RBat ch mult iplies t he flowsheet
st r eam r epr esent ing t he bat ch char ge by a cycle t ime you ent er (eit her Cycle
Time or Bat ch Feed Time). Bat ch Feed Time is not t he t ime r equir ed t o char ge
t he r eact or ; it is a t ot al cycle t ime used only t o comput e t he amount of t he char ge.
Bat ch Feed Time is r equir ed when Cycle Time is unknown.
If Bat ch Feed Time differ s fr om t he act ual comput ed cycle t ime, t he RBat ch
flowsheet inlet and out let st r eams ar e not in mass balance. However , all int er nal
RBat ch calculat ions and r epor t s will be cor r ect for t he comput ed bat ch char ge.
5-30 Unit Oper at ion Models
Ver sion 10
Reactors
Cont i nuous Feed A st eady-st at e flowsheet st r eam fed cont inuously t o t he
r eact or dur ing r eact ion. It s composit ion and t emper at ur e r emain const ant
t hr oughout t he r eact ion. It s flow r at e eit her r emains const ant or follows a
specified t ime pr ofile.
Rea ct or Pr od uct The mat er ial left in t he r eact or at t he end of t he r eact or
cycle. The flow r at e of t he r eact or pr oduct st r eam equals t he t ot al mass in t he
r eact or , divided by t he r eact or cycle t ime. You can t hink of t his pr ocess as
analogous t o t r ansfer r ing t he r eact or pr oduct t o a pr oduct holding t ank. This
t ank is dr awn down dur ing t he next r eact or cycle t o feed t he cont inuous blocks
downst r eam (see figur e RBat ch React or Configur at ion - No Vent Case ).
Vent Pr od uct The cont ent s of t he vent accumulat or at t he end of t he r eact or
cycle. Dur ing t he r eact or cycle, t he t ime-var ying vent st r eam accumulat es in t he
vent accumulat or (see figur e RBat ch React or Configur at ion - Vent Case). The
flow r at e of t he vent pr oduct st r eam is t he t ot al mass in t he vent accumulat or ,
divided by t he r eact or cycle t ime.
Feed
Holding
Tank
Flowsheet
Stream for
Batch
Charge
Batch charge
transferred
once each
cycle
Product
Holding
Tank
Reactor
product
transferred
once each
cycle
Flowsheet
Stream for
Reactor
Product
Reactor
RBatch Reactor Configuration—No Vent Case
Unit Oper at ion Models 5-31
Ver sion 10
Chapter 5
Feed
Holding
Tank
Flowsheet
Stream for
Batch
Charge
Batch charge
transferred
once each
cycle
Product
Holding
Tank
Reactor
product
transferred
once each
cycle
Flowsheet
Stream for
Reactor
Product
Vent
Holding
Tank
Vent
Accumulator
Vent
Product
transferred
once per
cycle
Flowsheet
Stream for
Vent
Product
Reactor
Optional Flowsheet
Stream for
Continuous Feed
RBatch Reactor Configuration—Vent Case
y y y y
5-32 Unit Oper at ion Models
Ver sion 10
Reactors
Unit Oper at ion Models 6-1
Ver sion 10
Chapter 6
6 Pressure Changers
This chapt er descr ibes t he unit oper at ion models for pumps and compr essor s,
and models for calculat ing pr essur e change t hr ough pipes and valves. The models
ar e:
Model Description Purpose Use For
Pump Pump or hydraulic turbine Changes stream pressure
when the power requirement
is needed or known
Pumps and hydraulic turbines
Compr Compressor or turbine Changes stream pressure
when power requirement is
needed or known
Polytropic compressors, polytropic positive
displacement compressors, isentropic
compressors, isentropic turbines
MCompr Multistage compressor or
turbine
Changes stream pressure
across multiple stages with
intercoolers. Allows for liquid
knockout streams from
intercoolers
Multistage polytropic compressors, polytropic
positive displacement compressors, isentropic
compressors, isentropic turbines
Valve Valve pressure drop Models pressure drop
through a valve
Control valves and pressure changers
Pipe Single segment pipe Models pressure drop
through a single segment of
pipe
Pipe with constant diameter (may include
fittings)
Pipeline Multiple segment pipeline Models pressure drop
through a pipe or annular
space
Pipeline with multiple lengths of different
diameter or elevation
Use Pump, Compr , and MCompr models when ener gy-r elat ed infor mat ion such as
power r equir ement is needed or known.
6-2 Unit Oper at ion Models
Ver sion 10
Pressure
Changers
Pump
Pump/Hydrauli c Turbi ne
Use Pump t o model a pump or a hydr aulic t ur bine.
Pump is designed t o handle a single liquid phase. For special cases, you can
specify t wo- or t hr ee-phase calculat ions t o det er mine t he out let st r eam condit ions
and t o comput e t he fluid densit y used in t he pump equat ions. The accur acy of t he
r esult s depends on a number of fact or s, such as t he r elat ive amount s of t he
phases pr esent , t he compr essibilit y of t he fluid, and t he efficiency specified.
Use Pump t o change pr essur e when t he power r equir ement is needed or known.
For pr essur e change only, you can use ot her models such as Heat er .
Pump can model pumps and hydr aulic t ur bines.
Use t he Pump block t o r at e a pump or a t ur bine by specifying scalar par amet er s
or by specifying t he r elat ed per for mance cur ves. To use t he per for mance cur ves,
you can specify eit her :
• Dimensional cur ves such as head ver sus flow or power ver sus flow
• Dimensionless cur ves such as head coefficient ver sus flow coefficient
Flowsheet Connecti vi ty for Pump
Work
(optional)
Material
Work (optional)
Water (optional)
Material
(any number)
Materi al Streams
Inlet At least one mat er ial st r eam
Outlet One mat er ial st r eam
One wat er decant st r eam (opt ional)
Unit Oper at ion Models 6-3
Ver sion 10
Chapter 6
Work Streams
Inlet Any number of wor k st r eams (opt ional)
Outlet One wor k st r eam for t he net wor k load (opt ional)
If you do not specify eit her power or pr essur e on t he Set up Specificat ions sheet ,
Pump uses t he sum of t he inlet wor k st r eams as a power specificat ion.
Ot her wise, Pump uses t he inlet wor k st r eam(s) only t o calculat e t he net wor k
load. The net wor k load is t he sum of t he inlet wor k st r eams minus t he act ual
(calculat ed) wor k load.
You can use an opt ional out let wor k st r eam for t he net wor k load.
Speci fyi ng Pump
Use t he Set up Specificat ions sheet for Pump specificat ions.
If you specify Pump calculates
Discharge pressure Power required or produced
Pressure increase (for a pump) or decrease (for a turbine) Power required or produced
Pressure ratio (outlet pressure to inlet pressure) Power required or produced
Power required (for a pump) or produced (for a turbine) Discharge pressure
Curves of head, discharge pressure, pressure ratio,
pressure change, or head coefficient
Power required or produced
Power curve Discharge pressure
You can supply a For t r an subr out ine t o calculat e per for mance cur ves in Pump.
See AS PEN PLUS User Models for mor e infor mat ion.
Use t he following for ms t o ent er specificat ions and view r esult s for Pump:
Use this form To do this
Setup Specify operating conditions, efficiencies, net positive suction head parameters,
specific speed parameters, valid phases, and flash convergence parameters
PerformanceCurves Specify parameters and enter data for the performance curves
UserSubroutines Specify name and parameters for the user performance curve subroutine
BlockOptions Override global values for physical properties, simulation options, diagnostic
message levels, and report options for this block
Results View summary of Pump results, material and energy balance results, and
performance curve summary
6-4 Unit Oper at ion Models
Ver sion 10
Pressure
Changers
NPSH Avai lable
The Net Posit ive Suct ion Head (NPSH) available for a pump is defined as:
NPSHA P P H H
in vapor v s
· − + +
Wher e:
NPSHA = Net Posit ive Suct ion Head Available
P
in
= Inlet pr essur e
P
vapor
= Vapor pr essur e of t he liquid at inlet condit ions
H
v
= Velocit y head
(= u g
2
2 / , u is t he velocit y and g is gr avit at ion const ant )
H
s
= Hydr aulic st at ic head cor r ect ed t o t he pump cent er line
The NPSH available has t o be gr eat er t han t he NPSH r equir ed (NPSHR) t o avoid
cavit at ion. NPSH r equir ed is a funct ion of pump design.
NPSH Requi red
The Net Posit ive Suct ion Head (NPSH) r equir ed can be consider ed t he suct ion
pr essur e r equir ed by t he pump for safe, r eliable oper at ion. The NPSHR can be
specified using t he per for mance cur ves on t he Per for manceCur ves NPSHR sheet ,
or calculat ed fr om t he following empir ical equat ion by specifying suct ion specific
speed ( N
ss
) on t he Set up Calculat ionOpt ions sheet .
NPSHR
N Q
N
ss
·

¸

1
]
1
0 5
4
3
.
Wher e:
NPSHR = Net Posit ive Suct ion Head Requir ed
N = Pump shaft speed (r pm)
Q = Volumet r ic flow r at e at t he suct ion condit ions
N
ss
= Suct ion specific speed
Unit Oper at ion Models 6-5
Ver sion 10
Chapter 6
The unit s for Qand NPSHR ar e:
US: Q in gal/min and NPSHR in feet
Met r ic: Q in cum/hr and NPSHR in met er s
Speci fi c Speed
Specific speed and suct ion specific speed ar e t wo impor t ant par amet er s t hat
define t he suit abilit y of a pump design for it s int ended condit ions. The pump
specific speed is defined as:
N
N Q
Head
s
·
0 5
0 75
.
.
Wher e:
Head = Head developed acr oss t he pump
N
s
= Specific speed
N = Pump shaft speed (r pm)
Q = Volumet r ic flow r at e at t he suct ion condit ions
The unit s for Qand Head ar e:
US: Head in feet
Met r ic: Head in met er s
6-6 Unit Oper at ion Models
Ver sion 10
Pressure
Changers
In gener al, pumps wit h a low specific speed ar e t er med low capacit y and t hose
wit h a high specific speed ar e t er med high capacit y. For a t ur bine, t he specific
speed is defined as follows:
N
N BHP
Head
s
·
0 5
1 25
.
.
Wher e:
N
s
= Specific speed
BHP = Developed hor sepower
Head = Tot al dynamic head acr oss t ur bine
Sucti on Speci fi c Speed
Suct ion specific speed ( N
ss
) is an index number for a cent r ifugal pump and is
used t o define it s suct ion char act er ist ic. It is defined as follows:
N
N Q
NPSHR
ss
·
0 5
0 75
.
.
Wher e:
NPSHR = Net posit ive suct ion head r equir ed for a pump or net
posit ive dischar ge head r equir ed for a t ur bine
N
ss
= Suct ion specific speed
N = Pump shaft speed (r pm)
Q = Volumet r ic flow r at e at t he suct ion condit ions
The unit s for Q and NPSHR ar e:
US: Q in gal/min and NPSHR in feet
Met r ic: Q in cum/hr and NPSHR in met er s
Unit Oper at ion Models 6-7
Ver sion 10
Chapter 6
Suct ion specific speed is a cr it er ion of a pump’s per for mance wit h r egar d t o
cavit at ion. For a pump of nor mal design, values of N
ss
var y fr om 6,000 t o 12,000
in US unit s. A t ypical value is 8,500.
Head Coeffi ci ent
Head coefficient is defined as follows:
Headc
Head g
u
·
2
Wher e:
Headc = Head coefficient
Head = Head developed acr oss t he pump
g
= Gr avit at ional const ant
u = Impeller t ip speed
Flow Coeffi ci ent
Flow coefficient is t he r at io of dischar ge t hr oat velocit y t o impeller t ip speed. It is
defined as:
Flowc
Q
A u
·
1
A d
1 1
2
4 · × π /
Wher e:
Flowc = Flow coefficient
Q = Volumet r ic flow r at e
A
1
= Cr oss-sect ional ar ea of dischar ge t hr oat
d
1
= Diamet er of dischar ge t hr oat
u = Impeller t ip speed
6-8 Unit Oper at ion Models
Ver sion 10
Pressure
Changers
The diamet er of t hr oat and diamet er of impeller ar e r elat ed by t he following
empir ical equat ion:
N
d
Diam
s
· 5500
1
Wher e:
N
s
= Specific speed at t he best efficiency point
Diam = Diamet er of impeller
You can specify Specific Speed ( N
s
) on t he Set up Calculat ionOpt ions sheet .
Unit Oper at ion Models 6-9
Ver sion 10
Chapter 6
Compr
Compressor/Turbi ne
Use Compr t o model:
• A polyt r opic cent r ifugal compr essor
• A polyt r opic posit ive displacement compr essor
• An isent r opic compr essor
• An isent r opic t ur bine
Use Compr t o change st r eam pr essur e when ener gy-r elat ed infor mat ion, such as
power r equir ement , is needed or known.
Compr can handle single-phase as well as t wo- and t hr ee-phase calculat ions.
You can use Compr t o r at e a single st age of a compr essor or a single wheel of a
compr essor , by specifying t he r elat ed per for mance cur ves. Compr allows you t o
specify eit her :
• Dimensional cur ves, such as head ver sus flow or power ver sus flow
• Dimensionless cur ves, such as head coefficient ver sus flow coefficient
Compr can also calculat e compr essor shaft speed.
Compr cannot handle per for mance cur ves for a t ur bine.
Flowsheet Connecti vi ty for Compr
Material
(any number)
Material
Water (optional)
Work
(optional)
Work (optional)
Materi al Streams
Inlet At least one mat er ial st r eam
Outlet One mat er ial st r eam
One wat er decant st r eam (opt ional)
6-10 Unit Oper at ion Models
Ver sion 10
Pressure
Changers
Work Streams
Inlet Any number of wor k st r eams (opt ional)
Outlet One wor k st r eam for net wor k load (opt ional)
If you do not specify eit her power or pr essur e on t he Compr Set up Specificat ions
sheet , Compr uses t he sum of t he inlet wor k st r eams as a power specificat ion.
Ot her wise, Compr uses t he inlet wor k st r eam(s) only t o calculat e t he net wor k
load. The net wor k load is t he sum of t he inlet wor k st r eams minus t he act ual
(calculat ed) wor k load.
You can use an opt ional out let wor k st r eam for t he net wor k load.
Speci fyi ng Compr
If you specify Compr calculates
Discharge pressure Power required or produced
Power required (for a compressor) or produced (for a turbine) Discharge pressure
Curves of head, power, discharge pressure, pressure ratio, pressure
change, or head coefficient
Power required and discharge pressure
Discharge pressure and curves of head or power or head coefficient Power required, discharge pressure, and shaft
speed
Power required and curves of discharge pressure, pressure ratio, or
pressure change
Discharge pressure, and shaft speed
When you use per for mance cur ves, you can specify eit her a scalar value of
efficiency or efficiency cur ves.
You can supply a For t r an subr out ine t o calculat e per for mance cur ves in Compr .
See AS PEN PLUS User Models for mor e infor mat ion.
Some r equir ed specificat ions depend on t he compr essor t ype. Specify t he
compr essor t ype on t he Set up Specificat ions sheet .
You can model a polyt r opic compr essor using eit her t he GPSA or ASME met hod.
You can model an isent r opic compr essor /t ur bine using eit her t he GPSA, ASME,
or Mollier -based met hods.
The GPSA met hod can be based on eit her :
• Suct ion condit ions
• Aver age of suct ion and dischar ge condit ions
Unit Oper at ion Models 6-11
Ver sion 10
Chapter 6
The ASME met hod is mor e r igor ous t han t he GPSA met hod for polyt r opic or
isent r opic compr essor calculat ions. The Mollier met hod is t he most r igor ous for
isent r opic calculat ions.
Use t he following for ms t o ent er specificat ions and view r esult s for Compr :
Use this form To do this
Setup Identify compressor specifications, calculation options, convergence parameters,
and valid phases
Performance Curves Specify parameters and enter data for the performance curves
User Subroutine Enter performance curve subroutine parameters and name
BlockOptions Override global values for physical properties, simulation options, diagnostic
message levels, and report options for this block
Results View summary of Compr results, material and energy balance results, and
performance curve summary
Dynamic Specify parameters for dynamic simulations
Polytropi c Effi ci ency
The polyt r opic efficiency η
p
is used in t he equat ion for t he polyt r opic
compr ession r at io:
n
n
k
k
p

·

¸
¸

_
,

1 1
η
The basic compr essor r elat ion is:
∆h
P V
n
n
P
P
in in
p
out
in
n
n
·

¸
¸

_
,

¸
¸

_
,

¸

1
]
1
1
1

η
1
1
1
Wher e:
n = Polyt r opic coefficient
k = Heat capacit y r at io Cp/Cv
η
p
= Polyt r opic efficiency
∆h = Ent halpy change per mole
P = Pr essur e
V = Molar volume
6-12 Unit Oper at ion Models
Ver sion 10
Pressure
Changers
Isentropi c Effi ci ency
Ther e ar e t wo equat ions for t he isent r opic efficiency η
s
For compr ession:
η
s
out
s
in
out in
h h
h h
·


For expansion:
η
s
out in
out
s
in
h h
h h
·


Where :
h = Molar ent halpy
h
out
s
= Out let molar ent halpy assuming isent r opic compr ession or
expansion t o t he specified out let pr essur e
Mechani cal Effi ci ency
Mechanical efficiency η
m
is used t o calculat e t he br ake hor sepower :
IHP F h · ∆
BHP IHP
m
· / η
Wher e:
IHP = Indicat ed hor sepower
F = Mole flow r at e
∆h = Ent halpy change per mole
BHP = Br ake hor sepower
η
m
= Mechanical efficiency
Unit Oper at ion Models 6-13
Ver sion 10
Chapter 6
MCompr
Multi stage Compressor/Turbi ne
Use MCompr t o model:
• A mult i-st age polyt r opic compr essor
• A mult i-st age polyt r opic posit ive displacement compr essor
• A mult i-st age isent r opic compr essor
• A mult i-st age isent r opic t ur bine
For polyt r opic compr essor s, MCompr can handle a single, compr essible phase.
For special cases you can specify t wo- or t hr ee-phase calculat ions. These
calculat ions det er mine t he out let st r eam condit ions and t he pr oper t ies used in
t he compr essor equat ions. The accur acy of r esult s depends pr imar ily on t he
r elat ive amount s of t he phases pr esent and t he efficiency specified. The r igor ous
polyt r opic compr essor uses r eal fluid pr oper t ies calculat ed fr om t he pr oper t y
met hod you specify. It does not assume ideal gas behavior .
MCompr handles single-phase isent r opic compr essor s and t ur bines. MCompr can
also handle t wo- and t hr ee-phase mixt ur es.
You can use MCompr t o r at e a mult i-st age compr essor , by using eit her :
• St age-by-st age dimensional per for mance cur ves, such as head ver sus flow or
power ver sus flow
• Wheel-by-wheel dimensionless per for mance cur ves, such as head coefficient
ver sus flow coefficient
MCompr can also calculat e shaft speed.
MCompr cannot handle per for mance cur ves for a t ur bine.
Flowsheet Connecti vi ty for MCompr
Heat
(optional)
Work
(optional)
Work
(any number)
To
Stage
K + 1
From
Stage
K - 1
Feed to
Stage
K + 1
(any number)
Heat
(any number)
Water
(optional)
Knockout
Stage K
Cooler
Stage K
Compressor
Stage K
6-14 Unit Oper at ion Models
Ver sion 10
Pressure
Changers
Materi al Streams
Inlet At least one mat er ial st r eam for t he fir st compr essor st age
One or mor e mat er ial st r eams for st ages aft er t he fir st (opt ional). These
st r eams ent er t he int er cooler befor e t he st ages you specify.
Outlet One mat er ial st r eam leaving t he last compr essor st age
Eit her one opt ional knockout mat er ial st r eam for each int er cooler for t he
liquid for med, or one opt ional global knockout for t he liquid for med in all
int er cooler s
Eit her one opt ional wat er decant st r eam for each int er cooler , or one
opt ional global wat er decant st r eam
If you use liquid knockout out let st r eams fr om one st age, you must use t hem for
all st ages. The last st age cannot have a liquid knockout mat er ial st r eam or a
wat er decant st r eam.
Heat Streams
Inlet Any number of heat st r eams t o each int er cooler (opt ional)
Outlet Eit her one opt ional heat st r eam for t he net heat load of each int er cooler ,
or one global heat out let st r eam for t he net heat dut y for all int er cooler s
If you do not specify cooler condit ions on t he Set up Cooler sheet , MCompr adds
t he heat st r eams t oget her and uses t he t ot al as a dut y specificat ion for t he cooler .
The net heat load equals t he heat in t he inlet heat st r eams minus t he act ual
(calculat ed) heat dut y.
If you use a heat out let fr om one st age, you must use one for all st ages.
Work Streams
Inlet Any number of wor k st r eams t o each compr essor st age (opt ional)
Outlet Eit her one opt ional wor k st r eam for net wor k load, or one global wor k
st r eam for t he net power for all compr essor st ages
MCompr adds all wor k inlet st r eams t oget her t o pr ovide t he power r equir ement .
If you do not specify power or pr essur e on t he Set up Specs sheet , MCompr uses
t he t ot al power as a power specificat ion for t he st age.
The power in t he out let wor k st r eam equals t he power in t he inlet wor k st r eams
minus t he act ual (calculat ed) power r equir ed.
If you use a wor k out let fr om one st age, you must use one for all st ages.
Unit Oper at ion Models 6-15
Ver sion 10
Chapter 6
Speci fyi ng MCompr
If you specify MCompr calculates
Discharge pressure Power required or produced
Power required (for a compressor) or produced (for a turbine) Discharge pressure
Curves of head, power, discharge pressure, pressure ratio,
pressure change, or head coefficient
Power required and discharge pressure
Discharge pressure and curves of head or power or head
coefficient
Power required and shaft speed
When you use per for mance cur ves, you can specify eit her a scalar value for
efficiency or efficiency cur ves.
You can supply a For t r an subr out ine t o calculat e per for mance cur ves in
MCompr . See AS PEN PLUS User Models for mor e infor mat ion.
MCompr can have an int er cooler bet ween each compr ession (or expansion) st age,
and an aft er cooler aft er t he last st age. You can per for m one-, t wo-, or t hr ee-phase
flash calculat ions in t he int er cooler s. Each cooler can have a liquid knockout
st r eam, except t he cooler aft er t he last st age.
You can model a polyt r opic compr essor using eit her t he GPSA
1
or ASME
2
met hod. You can model an isent r opic compr essor /t ur bine using eit her t he GPSA,
ASME, or Mollier -based met hods.
The GPSA met hod can be based on eit her :
• Suct ion condit ions
• Aver age of suct ion and dischar ge condit ions
The ASME met hod is mor e r igor ous t han t he GPSA met hod for polyt r opic or
isent r opic compr essor calculat ions. The Mollier met hod is t he most r igor ous for
isent r opic calculat ions.
Use t he following for ms t o ent er specificat ions and view r esult s for MCompr :
Use this form To do this
Setup Identify multi-stage compressor specifications, stage specifications, cooler specifications,
convergence parameters, and valid phases
Performance Curves Specify parameters and enter data for the performance curves
User Subroutine Specify performance curve user subroutine parameters and name
Hcurves Specify heating or cooling curve tables and view tabular results
continued
6-16 Unit Oper at ion Models
Ver sion 10
Pressure
Changers
Use this form To do this
BlockOptions Override global values for physical properties, simulation options, diagnostic message levels, and report
options for this block
Results View summary of operating results, material and energy balance results, compressor and cooler profiles,
and performance profiles
Dynamic Specify parameters for dynamic simulations
Polytropi c Effi ci ency
The polyt r opic efficiency η
p
is used in t he equat ion for t he polyt r opic compr ession
r at io:
n
n
k
k
p

·

¸
¸

_
,

1 1
η
The basic compr essor r elat ion is:
∆h
P V
n
n
P
P
in in
p
out
in
n
n
·

¸
¸

_
,

¸
¸

_
,

¸

1
]
1
1
1

η
1
1
1
Wher e:
n = Polyt r opic coefficient
k = Heat capacit y r at io Cp/Cv
η
p
= Polyt r opic efficiency
∆h = Ent halpy change per mole
P = Pr essur e
V = Molar volume
Isentropi c Effi ci ency
Ther e ar e t wo equat ions for t he isent r opic efficiency η
s
For compr ession:
η
s
out
s
in
out in
h h
h h
·


Unit Oper at ion Models 6-17
Ver sion 10
Chapter 6
For expansion:
η
s
out in
out
s
in
h h
h h
·


Where :
h = Molar ent halpy
h
out
s
= Out let molar ent halpy assuming isent r opic compr ession or
expansion t o t he specified out let pr essur e
Mechani cal Effi ci ency
Mechanical efficiency η
m
is used t o calculat e t he br ake hor sepower :
IHP F h · ∆
BHP IHP
m
· / η
Wher e:
IHP = Indicat ed hor sepower
F = Mole flow r at e
∆h = Ent halpy change per mole
BHP = Br ake hor sepower
η
m
= Mechanical efficiency
Parasi ti c Pressure Loss
The par asit ic pr essur e loss at t he suct ion of a st age is calculat ed using t he
equat ion:
∆P K
V
· ρ
2
2
Wher e:
∆P = Par asit ic pr essur e loss
K = Velocit y head mult iplier
ρ
= Densit y
V = Linear velocit y of pr ocess gas at suct ion condit ions
6-18 Unit Oper at ion Models
Ver sion 10
Pressure
Changers
Speci fi c Speed
The specific speed is defined as:
SpSpd =
ShSpd (VflIn)
(Head)

0.5
0.75
Wher e:
ShSpd = Shaft speed
VflIn = Suct ion volumet r ic flow r at e
Head = Head developed
Speci fi c Di ameter
The specific diamet er is defined as:
SpDiam =
ImpDiam (Head)
(VflIn)

0.25
0.5
Wher e:
ImpDiam = Impeller diamet er of compr essor wheel
Head = Head developed
VflIn = Volumet r ic flow r at e at suct ion condit ions
Head Coeffi ci ent
The head coefficient is defined as:
Hc =
Head g
( ShSpd ImpDiam)

2
π
Wher e:
Head = Head developed
g = Gr avit at ional const ant
π = 3.1416
ShSpd = Shaft speed
ImpDiam = Impeller diamet er of compr essor wheel
Unit Oper at ion Models 6-19
Ver sion 10
Chapter 6
Flow Coeffi ci ent
The flow coefficient is defined as:
Fc
VflIn
ShSpd (ImpDiam
·
)
3
Wher e:
VflIn = Volumet r ic flow r at e at suct ion condit ions
ShSpd = Shaft speed
ImpDiam = Impeller diamet er of compr essor wheel
References
1. GPS A Engineering Data Book, 1979, Chapt er 4, pp. 5-6 t o 5-10.
2. ASME Power Test Code 10, 1965, pp. 31-32.
6-20 Unit Oper at ion Models
Ver sion 10
Pressure
Changers
Valve
Valve Pressure Drop
Valve models cont r ol valves and pr essur e changer s. Valve r elat es t he pr essur e
dr op acr oss a valve t o t he valve flow coefficient . Valve assumes t he flow is
adiabat ic, and det er mines t he t her mal and phase condit ion of t he st r eam at t he
valve out let . Valve can per for m one-, t wo-, or t hr ee-phase calculat ions.
Flowsheet Connecti vi ty for Valve
Material Material
Materi al Streams
Inlet One mat er ial st r eam
Outlet One mat er ial st r eam
Speci fyi ng Valve
Use t he Input Oper at ion sheet t o select t he calculat ion t ype.
If you select t he Pr essur e changer opt ion or t he Design opt ion for t he calculat ion
t ype, you must specify, on t he same sheet , one of t he following:
• Out let pr essur e
• Pr essur e dr op
If you select t he Pr essur e changer opt ion, t he specificat ion is complet e and Valve
per for ms an adiabat ic flash t o calculat e t he t her mal and phase condit ion of t he
out let st r eam.
If you select t he Rat ing opt ion for t he calculat ion t ype, you must specify, on t he
same sheet , one of t he following:
• Flow coefficient at oper at ing valve posit ion
• Valve oper at ing posit ion (% Opening)
Unit Oper at ion Models 6-21
Ver sion 10
Chapter 6
If you specify t he valve oper at ing posit ion, you must also specify one of t he
following on t he Input ValvePar amet er s sheet :
• Char act er ist ic equat ion t ype and flow coefficient at maximum valve opening
• Dat a for flow coefficient (Cv) ver sus valve opening in t he Valve Par amet er s
Table
• A valve fr om t he built -in libr ar y based on valve t ype, manufact ur er ,
ser ies/st yle, and size
On t he Input Calculat ionOpt ions sheet , you can specify t hat Valve:
• Check for choked flow
• Calculat e cavit at ion index
For vapor -cont aining st r eams, you must specify t he pr essur e dr op r at io fact or
(Xt ) for t he valve. For liquid-cont aining st r eams, if you specify t hat Valve check
for choked flow, you must also specify t he pr essur e r ecover y fact or (Fl) for t he
valve. You can specify t he pr essur e dr op r at io fact or and t he pr essur e r ecover y
fact or for t he valve in one of t he following ways on t he Input ValvePar amet er s
sheet :
Specify
Value at the operating valve position (Pres Drop Ratio Factor, Pres Recovery Factor)
Data for pressure drop ratio factor (Xt) and for pressure recovery factor (Fl) versus valve opening (% Opening) in the Valve
Parameters Table
A valve from the built-in library based on Valve Type, Manufacturer, Series/Style, and Size
If you want t o include t he effect of head loss fr om pipe fit t ings on t he valve flow
capacit y, you must specify t he diamet er s of t he valve and pipe fit t ings on t he
Input PipeFit t ings sheet . Valve uses t he valve and pipe diamet er s, and est imat es
t he piping geomet r y fact or t o account for t he r educt ion in flow capacit y.
Use t he following for ms t o ent er specificat ions and view r esult s for Valve:
Use this form To do this
Input Specify valve operating conditions, flash convergence parameters, valid phases, valve
parameters, sizes for pipe fittings, calculation options, and Valve convergence parameters
Block Options Override global values for physical properties, simulation options, diagnostic message levels,
and report options for this block
Results View summary of operating results and mass and energy balances
6-22 Unit Oper at ion Models
Ver sion 10
Pressure
Changers
Pressure Drop Rati o Factor
The pr essur e dr op r at io fact or ( X
t
) account s for t he effect of t he int er nal
geomet r y of t he valve on t he change in fluid densit y as it passes t hr ough t he
valve.
The pr essur e dr op r at io fact or is t he limit ing value (under choked condit ions) of
t he pr essur e dr op r at io and is given by:
X
F
dP
P
t
k
ch
in
·
¸
¸

_
,

1
(1)
Wher e:
dP
ch
= Pr essur e dr op for choked vapor flow
F
k
= Rat io of specific heat s fact or
P
in
= Inlet pr essur e
You can specify t he pr essur e dr op r at io fact or on t he Input ValvePar amet er s
sheet in one of t he following ways:
• Choose a Libr ar y Valve
• Ent er dat a for Xt and % Opening in t he Valve Par amet er s Table
• Specify t he value at t he oper at ing valve posit ion in Valve Fact or s
If you know t he r at io of t he gas sizing coefficient ( ) C
g
t o t he liquid sizing
coefficient ( ) C
v
, as defined in Fisher Cont r ols Company Control Valve Handbook,
you can calculat e t he pr essur e dr op r at io fact or (wit h t he assumpt ion F
k
= 1) by
eit her :
• Using valve manufact ur er ’s dat a for
dP
P
ch
in
¸
¸

_
,
ver sus
C
C
g
v
in equat ion (1)
• Using t he expr ession
X
F
C
C
t
k
g
v
·
× ¸
¸

_
,


6 31 10
4
2
.
This r elat ionship is based on equat ing t he choked flow calculat ed (in US unit s of
measur e) wit h:
Univer sal Gas Sizing Equat ion
W C rP
ch g in
· 106 .
ISA St andar d Valve Sizing Equat ion
W N C Y F X rP
ch v k t in
·
6
Unit Oper at ion Models 6-23
Ver sion 10
Chapter 6
Wher e:
W
ch
= Mass flow r at e (choked flow)
r = Mass densit y of inlet st r eam
Y = Expansion fact or (= 0.667 for choked flow)
N
6
= Numer ical const ant (= 63.3 for US unit s of measur e)
If you specify t he pr essur e dr op r at io fact or by choosing a valve fr om t he built -in
libr ar y or by ent er ing dat a in t he Valve Par amet er s Table on t he Input
ValvePar amet er s sheet , Valve uses cubic splines t o int er polat e t he value of t he
pr essur e dr op r at io fact or at t he oper at ing valve posit ion.
Valve uses t he pr essur e dr op r at io fact or only when bot h of t he following ar e
t r ue:
• Vapor is pr esent in t he inlet st r eam
• The Design or Rat ing opt ion is select ed for Calculat ion Type on t he Input
Oper at ion sheet
Pressure Recovery Factor
The pr essur e r ecover y fact or ( ) F
l
account s for t he effect of t he int er nal geomet r y
of t he valve on it s liquid flow capacit y under choked condit ions.
The pr essur e r ecover y fact or is defined as:
F
dP
P P
l
ch
in vc
·

¸

1
]
1
1 2 /
Wher e:
dP
ch
= Pr essur e dr op for choked liquid flow
P
in
= Inlet pr essur e
P
vc
= Pr essur e at t he vena cont r act a in t he valve
and
P
vc
= F P
f v
wit h
P
v
= Vapor pr essur e of inlet liquid st r eam
F
f
= Liquid cr it ical pr essur e r at io fact or
6-24 Unit Oper at ion Models
Ver sion 10
Pressure
Changers
You can specify t he pr essur e r ecover y fact or on t he Input ValvePar amet er s sheet
in one of t he following ways:
• Choose a Libr ar y Valve
• Ent er dat a for Fl and % Opening in t he Valve Par amet er s Table
• Specify t he value at t he oper at ing valve posit ion in Valve Fact or s
The pr essur e r ecover y fact or is equivalent t o t he valve r ecover y coefficient K
m
, as
defined in Fisher Cont r ols Company Control Valve Handbook.
You can use t he valve r ecover y coefficient t o calculat e t he pr essur e r ecover y
fact or as:
F K
l m
·
If you specify t he pr essur e r ecover y fact or by choosing a valve fr om t he built -in
libr ar y or by ent er ing t abular dat a in t he Valve Par amet er s Table on t he Input
ValvePar amet er s sheet , Valve uses cubic splines t o int er polat e t he value of t he
pr essur e r ecover y fact or at t he oper at ing valve posit ion.
The pr essur e r ecover y fact or is used in t he Valve model calculat ions only when
all of t he following ar e t r ue:
• Liquid is pr esent in t he inlet st r eam
• The Check for Choked Flow box is checked or t he Set Equal t o Choked Out let
Pr essur e opt ion is select ed on t he Input Calculat ionOpt ions sheet
• The Design or Rat ing opt ion is select ed for Calculat ion Type on t he Input
Oper at ion sheet .
Valve Flow Coeffi ci ent
The valve flow coefficient ( ) C
v
measur es t he flow capacit y of t he valve. The flow
coefficient is defined as t he number of US gallons per minut e of wat er (at 60 °F)
t hat will pass t hr ough t he valve wit h a pr essur e dr op of 1 psi.
The valve flow coefficient r elat es t he pr essur e dr op acr oss t he valve t o t he flow
r at e as (Inst r ument Societ y of Amer ica, 1985)
1
:
Liquid
W N F C r P P
p v in out
· −
6
( )
Gas/Vapor
W N F Y r P P
p in out
· −
6
( )
wit h
Y
P P
F X P
in out
k t in
· −

1
3
Unit Oper at ion Models 6-25
Ver sion 10
Chapter 6
Wher e:
W = Mass flow r at e
N
6
= Numer ical const ant (based on t he unit s of measur e)
F
p
= Piping geomet r y fact or
C
v
= Valve flow coefficient
Y = Expansion fact or
P
in
= Inlet pr essur e
P
out
= Out let pr essur e
r = Mass densit y of inlet st r eam
F
k
= Rat io of specific heat s fact or
X
t
= Pr essur e dr op r at io fact or
You can specify t he flow coefficient in one of t he following ways:
• Use Flow Coef on t he Input Oper at ion sheet t o specify t he value at t he
oper at ing valve posit ion
• Choose a Libr ar y Valve on t he Input ValvePar amet er s sheet
• Ent er dat a for Cv and % Opening in t he Valve Par amet er s Table on t he Input
ValvePar amet er s sheet
• Specify Valve Char act er ist ics in t he Input ValvePar amet er s sheet
If you specify t he flow coefficient by choosing a valve fr om t he built -in libr ar y or
by ent er ing dat a in t he Valve Par amet er s Table, Valve uses cubic splines t o
int er polat e t he value of t he flow coefficient at t he oper at ing valve posit ion.
6-26 Unit Oper at ion Models
Ver sion 10
Pressure
Changers
Characteri sti c Equati on Type
The char act er ist ic equat ion for t he valve r elat es t he flow coefficient t o t he valve
opening. Use t he Input ValvePar amet er s sheet t o specify t he char act er ist ic
equat ion t ype. The six built -in char act er ist ic equat ions ar e:
Type Equation

Linear
V P ·
Parabolic
V P · 0 01
2
.
Square Root
V P · 100 .
Quick Opening
( )
V
P
P
·
+ ×

10 0
10 9 9 10
3 2
.
. .
Equal Percentage
V
P
P
·
− ×

0 01
2 0 10 10
2
8 4
.
. .
Hyperbolic
( )
V
P
P
·
− ×

01
10 9 9 10
5 2
.
. .

Wher e:
P = Va l ve openi ng a s a per cent a ge of ma xi mum openi ng
V = Fl ow coeffi ci ent a s a per cent a ge of fl ow coeffi ci ent a t ma xi mum openi ng
Pi pi ng Geometry Factor
The piping geomet r y fact or is defined as:
F
C
C
p
p
·
υ
υ
Wher e:
C
p υ
= Flow coefficient of t he valve wit h at t ached fit t ings
C
υ
= Flow coefficient of t he valve inst alled in a st r aight pipe of t he
same size
The piping geomet r y fact or account s for t he r educt ion in t he flow capacit y of a
valve due t o t he head loss fr om t he pipe fit t ings. The piping geomet r y fact or has
a default value of 1.0 if t he valve and pipe fit t ings have t he same diamet er .
Unit Oper at ion Models 6-27
Ver sion 10
Chapter 6
ASPEN PLUS calculat es t he piping geomet r y fact or as (Inst r ument Societ y of
Amer ica, 1985)
1
:
F
KC
N d
p
· +
¸
¸

_
,


Σ
2
2
4
0 5
1
υ
.
wit h ΣK K K K K
B B
· + + −
1 2 1 2
Wher e:
K
d
D
1
2
1
2
2
05 1 · −
¸
¸

_
,
. , K
d
D
2
2
2
2
2
10 1 · −
¸
¸

_
,
. , K
d
D
B1
1
4
1 · −
¸
¸

_
,
, K
d
D
B2
2
4
1 · −
¸
¸

_
,

and:
F
p
= Piping geomet r y fact or
C
υ
= Valve flow coefficient
N
2
= Numer ical const ant (based on t he unit s of measur e)
d = Valve diamet er
K K
1 2
, = Resist ance coefficient s of t he inlet and out let fit t ings
K K
B B 1 2
, = Ber noulli coefficient s for t he inlet and out let fit t ings
D
1
= Inlet pipe diamet er
D
2
= Out let pipe diamet er
If t he valve and pipe fit t ings diamet er s ar e differ ent and you wish t o include t he
effect of t he addit ional head loss on t he valve flow capacit y, you must specify t he
valve and pipe diamet er s on t he Input PipeFit t ings sheet .
6-28 Unit Oper at ion Models
Ver sion 10
Pressure
Changers
Choked Flow
ASPEN PLUS calculat es t he limit ing pr essur e dr op for choked flow condit ions
using (Inst r ument Societ y of Amer ica, 1985)
1
:
Liquid
( )
dP F P F P
lc
L
in f
· −
2
υ
Vapor dP F X P
c k T in υ
·
wit h
F
P
P
f
v
c
· −
¸
¸

_
,
0 96 0 28
0 5
. .
.
Wher e:
F
L
= Pr essur e r ecover y fact or
F
f
= Liquid cr it ical pr essur e r at io fact or
F
k
= Rat io of specific heat s fact or
X
T
= Pr essur e dr op r at io fact or
P
in
= Inlet pr essur e
P
υ
= Vapor pr essur e at inlet
P
c
= Cr it ical pr essur e at inlet
dP
lc
= Limit ing pr essur e dr op, liquid phase
dP
vc
= Limit ing pr essur e dr op, vapor phase
For mult i-phase st r eams, Valve t akes t he limit ing pr essur e dr op for choked flow
t o be t he smaller of dP
lc
and dP
vc
. Flow in t he valve is choked when t he pr essur e
dr op exceeds t his limit ing pr essur e dr op. Valve displays t he choking st at us of t he
valve if you check t he Check for Choking box on t he Input Calculat ionOpt ions
sheet .
Unit Oper at ion Models 6-29
Ver sion 10
Chapter 6
Cavi tati on Index
The likelihood of cavit at ion in a valve is measur ed by t he cavit at ion index.
ASPEN PLUS calculat es t he cavit at ion index as (Inst r ument Societ y of Amer ica,
1985)
1
:
K
P P
P P
c
in out
in v
·


¸
¸

_
,

Wher e:
K
c
= Cavit at ion index
P
in
= Inlet pr essur e
P
out
= Out let pr essur e
P
v
= Vapor pr essur e at inlet
The cavit at ion index definit ion is valid only for all-liquid st r eams. Valve
calculat es t he cavit at ion index if you check t he Calculat e Cavit at ion Index box on
t he Input Calculat ionOpt ions sheet .
References
1. Flow Equat ions for Sizing Cont r ol Valves, ISA-S75.01-1985, Inst r ument
Societ y of Amer ica, 1985.
6-30 Unit Oper at ion Models
Ver sion 10
Pressure
Changers
Pi pe
Pi pe Pressure Drop
Pipe calculat es t he pr essur e dr op and heat t r ansfer in a single segment pipe. You
can also use Pipe t o model t he pr essur e dr op due t o fit t ings.
Pipe handles a single inlet and out let mat er ial st r eam. Pipe assumes t he flow is
one-dimensional, st eady-st at e, and fully developed (t hat is, no ent r ance effect s
ar e modeled). Pipe can per for m one-, t wo-, or t hr ee-phase calculat ions. Flow
dir ect ion and elevat ion angle ar e ar bit r ar y.
To model mult iple pipe segment s of differ ent diamet er s or elevat ions, use
Pipeline inst ead of Pipe.
If t he inlet pr essur e is known, Pipe calculat es t he out let pr essur e. If t he out let
pr essur e is known, Pipe calculat es t he inlet pr essur e and updat es t he st at e
var iables of t he inlet st r eam.
Use Pipe t o:
• Calculat e inlet or dischar ge condit ions
• Calculat e pr essur e dr ops for one-, t wo-, or t hr ee-phase vapor and liquid flows
Flowsheet Connecti vi ty for Pi pe
Material
Material
Materi al Streams
Inlet One mat er ial st r eam
Outlet One mat er ial st r eam
Unit Oper at ion Models 6-31
Ver sion 10
Chapter 6
Speci fyi ng Pi pe
You must specify t he following for Pipe:
• Pipe lengt h, diamet er , r oughness, and angle on t he Set up PipePar amet er s
sheet
• Ther mal specificat ion t ype on t he Set up Ther malSpecificat ion sheet t o
det er mine whet her Pipe oper at es wit h a t emper at ur e pr ofile or t emper at ur e
is calculat ed
• Whet her t o int egr at e, assume const ant dP/dL, or use a closed for m equat ion
on t he Advanced Met hods sheet
• Fr ict ional and holdup cor r elat ion when a closed for m equat ion is not used on
t he Advanced Met hods sheet
• Pr essur e and t emper at ur e gr id for fluid pr oper t y calculat ions on t he
Advanced Pr oper t yGr id sheet , if you r equest a pr essur e-t emper at ur e gr id on
t he AdvancedCalculat ion Opt ions sheet
• Int egr at ion dir ect ion in which calculat ions pr oceed wit h r espect t o flow on t he
Advanced Calculat ionOpt ions sheet
If the option selected is Pipe needs the And the integration direction is
Calculate pipe outlet
pressure (default)
Inlet pressure Downstream
Calculate pipe inlet pressure Outlet pressure Upstream
Pipe uses t he inlet or out let st r eam pr essur e t o st ar t t he calculat ions. If t he
st r eam is an ext er nal feed t o your flowsheet , or t he out let of a block t hat will
execut e aft er Pipe, use t he St r eam Specificat ions sheet t o specify t he st r eam
pr essur e. If t he int egr at ion dir ect ion is upst r eam, you can also specify t he init ial
pr essur e for Pipe on t he Advanced Calculat ionOpt ions sheet , by ent er ing t he
out let pr essur e. This pr essur e value will over r ide t he st r eam pr essur e ent er ed on
t he St r eam Specificat ions sheet .
Select t he flow calculat ion opt ion on t he Advanced Calculat ionOpt ions sheet t o
specify whet her Pipe is t o calculat e t he out let or inlet st r eam flow and
composit ion.
If the option selected is Pipe needs the
Reference inlet stream
(default)
Inlet flow and composition
Use outlet stream flow Outlet flow and composition
6-32 Unit Oper at ion Models
Ver sion 10
Pressure
Changers
Use t he following for ms t o ent er specificat ions and view r esult s for Pipe:
Use this form To do this
Setup Specify pipe parameters, thermal specifications, fittings, flash convergence
parameters and property profiles to be reported
Advanced Specify calculation options, solution methods, property grid, integration
parameters and Beggs and Brill coefficients
UserSubroutine Specify pressure drop and/or holdup user subroutine name and parameters
BlockOptions Override global values for physical properties, simulation options, diagnostic
message levels, and report options for this block
Results View summary of Pipe results, inlet and outlet stream results, material and
energy balance results, and profiles
Stream Speci fi cati on
You must init ialize t he inlet st r eam t o Pipe whenever t he opt ion t o r efer ence
inlet st r eam is select ed, even if t he inlet pr essur e is being calculat ed. Similar ly,
you must init ialize t he out let st r eam whenever t he opt ion t o use t he out let
st r eam flow is select ed. The init ialized st r eam must be one of t he following:
• Ent er ed on a St r eam Specificat ions sheet
• An out let st r eam fr om par t of t he flowsheet execut ed (if opt ion t o use out let
st r eam flow is select ed)
• Tr ansfer r ed fr om anot her par t of a flowsheet using a Tr ansfer block
Physi cal Property Calculati ons
You can specify t hat a r igor ous flash is t o be per for med each t ime pr oper t ies ar e
calculat ed, by select ing t he opt ion t o do Flash at Each Int egr at ion St ep on t he
Advanced Calculat ionOpt ions sheet . If you select t he opt ion t o Int er polat e fr om
Pr oper t y Gr id, Pipe will det er mine pr oper t ies by int er polat ing in a t able of
pr oper t y values at var ious t emper at ur es and pr essur es. Specify one of t he
following if you use t he Pr oper t y Gr id:
• A r ange of t emper at ur es and pr essur es on t he Advanced Pr oper t y Gr id sheet .
Pipe will calculat e pr oper t ies at t hese condit ions and int er polat e
• The block ID of a Pipe block for which t he opt ion t o int er polat e fr om pr oper t y
gr id was also select ed, and which will be execut ed befor e t he cur r ent block in
t he flowsheet
Unit Oper at ion Models 6-33
Ver sion 10
Chapter 6
Pressure Drop Calculati ons
Pipe can calculat e pr essur e dr op for eit her one-, t wo-, or t hr ee-phase vapor and
liquid flows. If vapor -liquid flow exist s, Pipe also calculat es liquid holdup and
flow r egime (pat t er n). You may specify a flowing fluid t emper at ur e pr ofile, or
Pipe can det er mine it fr om heat t r ansfer calculat ions. Pipe t r eat s mult iple liquid
phases (for example, oil and wat er ) as a single homogeneous liquid phase for
pr essur e-dr op and holdup calculat ions. Pipe aut omat ically det ect s t he special
case of a single component fluid (for example, st eam) and t r eat s it appr opr iat ely.
Downstream and Upstream Integrati on
For downst r eam and upst r eam int egr at ion, t he combinat ion of opt ions select ed
for pr essur e and flow calculat ion on t he Advanced Calculat ionOpt ions sheet
det er mine which st r eam Pipe will updat e. The following t able descr ibes t he
available combinat ions. The next figur e, Downst r eam and Upst r eam Int egr at ion,
defines t he inlet and out let st r eam and pr essur e var iables:
If the pressure calculation option is And the flow calculation option is Then Pipe updates the
Calculate pipe outlet pressure Reference inlet stream Outlet stream only
Calculate pipe outlet pressure Use outlet stream flow Outlet stream thermodynamic conditions
Inlet stream composition and flow
Calculate pipe inlet pressure Use outlet stream flow Inlet stream only
Calculate pipe inlet pressure Reference inlet stream Inlet stream thermodynamic conditions
Outlet stream composition and flow
Inlet Stream
Inlet Pressure Outlet Pressure
Outlet Stream
Downstream and Upstream Integration
6-34 Unit Oper at ion Models
Ver sion 10
Pressure
Changers
Desi gn-Spec Convergence Loop
Use caut ion when using Pipe inside a Design-Spec conver gence loop. For
example, you can manipulat e t he flow r at e t o a pipe t o achieve a desir ed pipe
out let pr essur e. Dur ing t he design specificat ion conver gence, t he flow r at e
var iables may become unr easonable in an int er mediat e it er at ion, causing Pipe t o
pr edict a negat ive pr essur e. Conver gence difficult ies occur as a r esult . You can
avoid t his sit uat ion by doing one of t he following:
• Keep t he upper limit of t he flow r at e sufficient ly low in Design-Spec
• Per for m an upst r eam int egr at ion fr om t he known out let pr essur e. Select
opt ion t o calculat e pipe inlet pr essur e on t he Advanced Calculat ionOpt ions
sheet for t his pur pose. Define a Design-Spec t o manipulat e t he flow r at e t o
achieve t he specified inlet pr essur e.
Erosi onal Veloci ty
Er osional velocit y is t he velocit y of t he fluid in t he pipe, above which t he pipe
mat er ial will st ar t t o br eak off. The fluid is t r aveling so fast t hat it st ar t s t o st r ip
mat er ial fr om t he walls of t he pipe. In gener al use, t he flow r at e should be below
t his value.
You can specify t he er osional velocit y coefficient on t he Set up Pipe Par amet er s
sheet .
The er osional velocit y is r elat ed t o t he er osional velocit y coefficient by t he
following equat ion:
υ
ρ
c
c
·
Wher e:
υ
c
= Er osional velocit y in ft /second
c = Er osional velocit y coefficient (default =100)
ρ = Densit y in lbs/cubic ft
Methane Gas Systems
Gas syst ems consist ing most ly of met hane occur fr equent ly in t he dense-phase
r egion of wellbor es and flowlines. In t he dense-phase r egion, definable vapor and
liquid phases do not exist . Equat ion-of-st at e met hods classify t he dense-phase
mat er ial as eit her all vapor or all liquid. Significant differ ences in t he pr edict ed
fluid t r anspor t pr oper t ies may occur , depending on whet her you choose t he vapor
or liquid st at e.
Unit Oper at ion Models 6-35
Ver sion 10
Chapter 6
Exper ience has shown t hat gas syst em flow in t he dense-phase r egion is best
modeled by using vapor -phase pr oper t ies. For syst ems consist ing of most ly
met hane, wher e t he pipe condit ions lie above t he cr icondenbar of t he phase
envelope, specify vapor -only valid phase on t he Set up FlashOpt ions sheet .
Modeli ng Valves and Fi tti ngs
Pipe assumes t hat t he pr essur e dr op due t o valves and fit t ings is dist r ibut ed
evenly along t he specified lengt h of t he pipe. The t ot al lengt h Pipe uses in
calculat ions cor r esponds t o t he specified pipe lengt h, plus any equivalent pipe
lengt h due t o valves, fit t ings, and miscellaneous L/D.
If t he pipe is not hor izont al, Pipe adjust s t he angle fr om t he hor izont al t o achieve
t he same ver t ical r ise or fall for t he t ot al lengt h used in t he calculat ions. This
adjust ment ensur es t he cor r ect pr essur e dr op due t o elevat ion.
If t he or der and posit ion of t he valves and fit t ings ar e impor t ant , you need t o
model each valve and fit t ing separ at ely wit h a Pipe model, specifying zer o lengt h
of pipe.
Two-Phase Correlati ons
The following t ables list t he t wo-phase fr ict ional pr essur e dr op and holdup
cor r elat ions available.
Two-Phase Friction Factor Correlations
Pipe orientation Inclination Friction factor correlations
Horizontal -2 deg to +2 deg Beggs and Brill (BEGGS-BRILL)
Dukler (DUKLER)
Lockhart-Martinelli (LOCK-MART)
User subroutine (USER-SUBR)
Vertical +45 deg to +90 deg Beggs and Brill (BEGGS-BRILL)
Orkiszewski (ORK)
Angel-Welchon-Ros (AWR)
Hagedorn-Brown (H-BROWN)
User subroutine

(USER-SUBR)
Downhill -2 deg to -90 deg Beggs and Brill (BEGGS-BRILL)
Slack (SLACK)
Darcy (DARCY)
User subroutine

(USER-SUBR)

See ASPEN PLUS User Models.
continued
6-36 Unit Oper at ion Models
Ver sion 10
Pressure
Changers
Pipe orientation Inclination Friction factor correlations
Inclined +2 deg to +45 deg Beggs and Brill (BEGGS-BRILL)
Dukler (DUKLER)
Orkiszewski (ORKI)
Angel-Welchon-Ros (AWR)
Hagedorn-Brown (H-BROWN)
Darcy (DARCY)
User subroutine

(USER-SUBR)

See ASPEN PLUS User Models.
Two-Phase Liquid Holdup Correlations
Pipe orientation Inclination Liquid holdup correlations
Horizontal -2 deg to +2 deg Beggs and Brill (BEGGS-BRILL)
Eaton (EATON)
Lockhart-Martinelli (LOCK-MART)
Hoogendorn (HOOG)
Hughmark (HUGH)
User subroutine

(USER-SUBR)
Vertical +45 deg to +90 deg Beggs and Brill (BEGGS-BRILL)
Orkiszewski(ORKI)
Angel-Welchon-Ros (AWR)
Hagedorn-Brown (H-BROWN)
User subroutine

(USER-SUBR)
Downhill -2 deg to -90 deg Beggs and Brill (BEGGS-BRILL)
Slack (SLACK)
User subroutine

(USER-SUBR)
Inclined +2 deg to +45 deg Beggs and Brill (BEGGS-BRILL)
Flanigan (FLANIGAN)
Orkiszewski (ORKI)
Angel-Welchon-Ros (AWR)
Hagedorn-Brown (H-BROWN)
User subroutine

(USER-SUBR)

See ASPEN PLUS User Models .
Note Some of t he r elat ed infor mat ion for t he t wo-phase fr ict ion fact or
and liquid holdup cor r elat ions was t aken fr om "Two-Phase Flow
in Pipes" by J ames P. Br ill and H. Dale Beggs, Sixt h Edit ion,
Thir d Pr int ing, J anuar y, 1991.
Unit Oper at ion Models 6-37
Ver sion 10
Chapter 6
Beggs and Bri ll Correlati on
The Beggs and Br ill cor r elat ion
1
consider s slip and flow r egimes ar e consider ed
wit h t his met hod. Fr ict ion fact or and holdup cor r elat ions depend on flow r egime
and pipe inclinat ion. It is suit able for all inclinat ions, including ver t ical flow
downwar d.
Dukler Correlati on
The Hughmar k holdup met hod should be used wit h t his pr essur e dr op met hod.
The Dukler met hod
2
was developed fr om field dat a using air -wat er mixt ur es in
1-inch pipes. It t ends t o over pr edict fr ict ional pr essur e dr op. It is r ecommended
in a design manual published joint ly by t he AGA and API.
Hagedorn-Brown Correlati on
The Hagedor n-Br own cor r elat ion
3
consider s slip bet ween phases, but flow r egime
is not consider ed. It uses t he same cor r elat ions for liquid holdup and fr ict ion
fact or for all flow r egimes. It is an old met hod which wor ks well for convent ional
oil wells. It is suit able for ver t ical upwar d flow, but not downwar d. It is gener ally
r ecommended for gas wells, and is based on dat a obt ained fr om U.S. Gulf Coast
oil wells wit h 2-3/8 inch and 2-7/8 inch t ubing.
Lockhart-Marti nelli Correlati on
The Lockhar t -Mar t inelli cor r elat ion
4
is one of t he oldest pr essur e dr op
cor r elat ions. It does not consider pr essur e dr op due t o acceler at ion. The met hod
t r eat s t he vapor and liquid phases separ at ely and uses a cor r ect ion fact or t o find
t he 2-phase pr essur e gr adient . Our implement at ion assumes t ur bulent gas and
liquid phase flow.
Orki szewski Correlati on
Slip and flow r egimes ar e consider ed in t he Or kiszewski cor r elat ion
5
. The fr ict ion
fact or and holdup cor r elat ion depend on t he flow r egime. It is suit able for ver t ical
flow upwar d, but not downwar d. It is gener ally r eliable for oil wells. It may
exhibit pr oblems for oil wells wit h high wat er cut s or high t ot al gas t o liquid
r at ios. It can significant ly under pr edict pr essur e dr op for higher r at e and higher
pr essur e wells (Beggs and Br ill/1984)
3
.
6-38 Unit Oper at ion Models
Ver sion 10
Pressure
Changers
Angel-Welchon-Ros Correlati on
The Angel-Welchon-Ros cor r elat ion met hod
6, 7
was developed for low gas-t o-liquid
r at io wat er wells. It assumes no slip bet ween t he vapor and liquid phases when
calculat ing liquid holdup.
Slack Correlati on
The Slack cor r elat ion met hod assumes a st r at ified flow r egime, and should be
used only for downhill flow.
Eaton Correlati on
The Eat on cor r elat ion
8
holdup met hod was developed fr om dat a on 2- and 4-inch
pipes wit h a gas-wat er -cr ude mixt ur e, and a 17-inch pipe wit h a gas-oil mixt ur e.
It is oft en used wit h t he Dukler fr ict ional pr essur e dr op cor r elat ion.
Flani gan Correlati on
The Flanigan cor r elat ion
9
holdup met hodwas developed fr om dat a t aken in a
16-inch pipe. It calculat es liquid holdup as a funct ion of super ficial gas velocit y.
It is suit able for inclined flow.
Beggs and Brill Correlation Parameters
The following t able list s t he Beggs and Br ill liquid holdup cor r elat ion
par amet er s.
Flow Regime Name Description
Segregated BB1
BB2
BB3
Leading coefficient, A (default = 0.98)
Liquid volume fraction exponent, alpha (default = 0.4846)
Froude no. exp., beta (default = 0.0868)
Intermittent BB4
BB5
BB6
Leading coefficient, A (default = 0.845)
Liquid volume fraction exponent, alpha (default = 0.5351)
Froude no. exp., beta (default = 0.0173)
Distributed BB7
BB8
BB9
Leading coefficient, A (default = 1.065)
Liquid volume fraction exponent, alpha (default = 0.5824)
Froude no. exp., beta (default = 0.0609)
In addit ion, you can change t he Beggs and Br ill t wo-phase Fr ict ion Fact or modifier ,
BB10 (default = 1.0).
Unit Oper at ion Models 6-39
Ver sion 10
Chapter 6
Closed-Form Methods
The following ar e closed-for m met hods:
• Smit h
• Weymout h
• AGA
• Oliphant
• Panhandle A
• Panhandle B
• Hazen-Williams
Smi th
The Smit h met hod
10
may be used for ver t ical dr y gas flow. It should be consider ed
for gas wells wit h condensat e-gas r at ios less t han 50 bbls/mcf, wat er -gas r at ios
less t han 3.5 bbls/mcf, and flow r at es above t he Tur ner pr edict ed cr it ical r at e.
Smit h does not model gas well loadup, and will significant ly under pr edict
wellbor e pr essur e dr op if loadup is act ually occur r ing. Smit h r esult s must be
cr oss-checked against t he Tur ner pr edict ed cr it ical r at es t o ver ify t hat t he well is
unloaded. Smit h also does not model condensat ion of wat er vapor in t he wellbor e.
Weymouth
The Weymout h hor izont al gas flow equat ion
11
was fir st published in 1912. It is
based on dat a t aken on pipes wit h diamet er s fr om 0.8 inches t o 11.8 inches. As a
r esult , it is most accur at e for smaller pipes having a diamet er less t han 12
inches.
AGA
The AGA met hod
12
may be used for hor izont al gas applicat ions.
Oli phant
The Oliphant met hod
13
may be used for hor izont al gas applicat ions wit h
pr essur es bet ween vacuum and 100 PSI.
6-40 Unit Oper at ion Models
Ver sion 10
Pressure
Changers
Panhandle A
The Panhandle A met hod
14
was developed by Panhandle East er n for hor izont al
gas flow in lar ge diamet er cr oss count r y gas t r ansmission lines. As a r esult , it is
best used on lines having diamet er s lar ger t han 12 inches. However , it does not
account for gas compr essibilit y (Z-fact or ), and assumes complet ely t ur bulent
flow.
Panhandle B
The Panhandle B met hod
14
is a r evised ver sion of t he Panhandle A met hod for
hor izont al gas flow and was developed by Panhandle East er n.

It is also called t he
"Panhandle East er n Revised Equat ion". It account s for t he gas compr essibilit y
fact or , and has r evised exponent s. This equat ion is not quit e so Reynolds-Number
dependent as t he Panhandle A equat ion, alt hough it , t oo, is best for pipe
diamet er s of 12 inches or mor e.
Hazen-Wi lli ams
The Hazen-Williams met hod
14
was developed for t he hor izont al flow of wat er .
When t his met hod is used, t he Hazen-Williams Coefficient must be specified in
place of t he Segment Efficiency on t he Connect ivit y Edit dialog box.
References
1. Beggs, H.D. and Br ill, J .P., "A St udy of Two-Phase Flow in Inclined Pipes,"
J ournal of Petroleum Technology, May 1973, pp. 607-617.
2. Dukler , A.E., Wicks, M., and Cleveland, R.G, "Fr ict ional Pr essur e Dr op in
Two-Phase Flow: An Appr oach Thr ough Similar it y Analysis," AIChE J ournal,
Vol. 10, No. 1, J anuar y 1964, pp. 44-51.
3. Beggs, H.D. and Br ill, J .P., "Two-Phase Flow in Pipes," Univer sit y of Tulsa
Shor t Cour se Not es, Thir d Pr int ing, Febr uar y 1984.
4. Lockhar t , R.W. and Mar t inelli, R.C., "Pr oposed Cor r elat ion of Dat a for
Isot her mal Two-Phase, Two-Component Flow in Pipes," Chemical
Engineering Progress, Vol. 45, 1949, pp. 39-48.
5. Or kiszewski, J ., "Pr edict ing Two-Phase Pr essur e Dr ops in Ver t ical Pipe,"
J ournal of Petroleum Technology, J une 1967, pp. 829-838.
Unit Oper at ion Models 6-41
Ver sion 10
Chapter 6
6. Angel, R.R., and Welchon, J .K., "Low-Rat io Gas-Lift Cor r elat ion for Casing-
Tubing Annuli and Lar ge Diamet er Tubing," API Drilling and Production
Practice, 1964, pp. 100-114.
7. Ros, N.C.J ., "Simult aneous Flow of Gas and Liquid as Encount er ed in Well
Tubing," J ournal of Petroleum Technology, Oct ober 1961, pp. 1037-1049.
8. Eat on, B.A. et al., "The Pr edict ion of Flow Pat t er ns, Liquid Holdup, and
Pr essur e Losses Occur r ing Dur ing Cont inuous Two-Phase Flow in Hor izont al
Pipelines," Trans. AIME, J une 1967, pp. 815-828.
9. Flanigan, Or in, "Effect of Uphill Flow on Pr essur e Dr op in Design of Two-
Phase Gat her ing Syst ems," Oil and Gas J ournal , Mar ch 10, 1958, pp. 132-
141.
10. Smit h, R. V., "Det er mining Fr ict ion Fact or s for Measur ing Pr oduct ivit y of
Gas Wells," AIME Petroleum Transactions, Volume 189, 1950, pp. 73-82.
11. Weymout h, T.R., Transactions of the American S ociety of Mechanical
Engineers, Vol. 34, 1912.
12. "St eady Flow in Gas Pipes," Amer ican Gas Associat ion, IGT Technical Repor t
10, Chicago, 1965.
13. Oliphant , F.N., "Pr oduct ion of Nat ur al Gas," Repor t of USGS, 1902.
14. Engineering Data Book, Volume II, Gas Pr ocessor s Supplier s Associat ion,
Tulsa, Oklahoma, Revised Tent h Edit ion, 1994.
6-42 Unit Oper at ion Models
Ver sion 10
Pressure
Changers
Pi peli ne
Pi pe Pressure Drop
Use Pipeline t o calculat e t he pr essur e dr op in a st r aight pipe or annular space.
Pipeline can:
• Simulat e a piping net wor k wit h successive blocks, including wellbor es and
flowlines
• Cont ain any number of segment s wit hin each block t o descr ibe pipe geomet r y
• Calculat e inlet or dischar ge condit ions
• Calculat e pr essur e dr ops for one-, t wo-, or t hr ee-phase vapor and liquid flows.
Pipeline t r eat s mult iple liquid phases (for example, oil and wat er ) as a single
homogeneous liquid phase for pr essur e-dr op and holdup calculat ions. If
vapor -liquid flow exist s, Pipeline calculat es liquid holdup and flow r egime
(pat t er n).
You may specify a flowing fluid t emper at ur e pr ofile, or Pipeline can calculat e it
fr om heat t r ansfer calculat ions. Flow is assumed t o be one-dimensional, st eady-
st at e, and fully developed (no ent r ance effect s ar e modeled). Flow dir ect ion and
elevat ion angle ar e ar bit r ar y. To model a single pipe segment wit h const ant
diamet er and elevat ion, you can also use Pipe.
Flowsheet Connecti vi ty for Pi peli ne
Material
Material
Pipeline Streams
Materi al Streams
Inlet One mat er ial st r eam
Outlet One mat er ial st r eam
Unit Oper at ion Models 6-43
Ver sion 10
Chapter 6
Speci fyi ng Pi peli ne
Use t he Calculat ion Dir ect ion opt ion on t he Set up Configur at ion sheet t o specify
whet her Pipeline is t o calculat e t he out let or inlet pr essur e.
If Calculation Direction = Pipeline will need the And the integration direction is
Calculate outlet pressure
(default)
Inlet pressure Downstream
Calculate inlet pressure Outlet pressure Upstream
Pipeline uses t he inlet or out let st r eam pr essur e t o st ar t t he calculat ions. If t he
st r eam is an ext er nal feed t o your flowsheet , or t he out let of a block t hat will
execut e aft er Pipeline, use t he St r eams Specificat ions sheet t o specify t he st r eam
pr essur e. You can also specify t he init ial pr essur e for Pipeline on t he Set up
Configur at ion sheet by ent er ing t he pr essur e value at t he inlet or out let . This
pr essur e value over r ides t he st r eam pr essur e.
Use t he Pipeline flow basis opt ion on t he Set up Configur at ion sheet t o specify
whet her Pipeline is t o calculat e t he out let or inlet st r eam flow and composit ion.
If Pipeline flow basis= Pipeline will need the
Use inlet stream flow
(default)
Inlet flow and composition
Reference outlet stream
flow
Outlet flow and composition
Use Ther mal Opt ions on t he Set up Configur at ion sheet t o specify whet her or not
t he node t emper at ur es ar e t o be calculat ed by Pipeline using an ener gy balance.
When you select t he Specify Temper at ur e Pr ofile opt ion, t he t emper at ur e at each
node can be specified. When you choose t he Const ant Temper at ur e opt ion, t he
t emper at ur e will be same at ever y node. You can define t his t emper at ur e by
specifying t he inlet t emper at ur e (for downst r eam int egr at ions) or t he out let
t emper at ur e (for upst r eam int egr at ions). If neit her t he inlet nor t he out let
t emper at ur es ar e specified, t he t emper at ur e of t he r efer enced st r eam will be
used. When you choose t he linear t emper at ur e pr ofile opt ion, you can specify t he
t emper at ur e at one or mor e nodes. Pipeline will do a linear int er polat ion bet ween
t he t emper at ur es specified t o calculat e t he fluid t emper at ur e in each segment .
6-44 Unit Oper at ion Models
Ver sion 10
Pressure
Changers
Use t he following for ms t o ent er specificat ions and view r esult s for Pipeline:
Use this form To do this
Setup Specify pipeline configuration, segment connectivity and characteristics, calculation methods,
property grid parameters, flash convergence parameters, valid phases, and block-specific
diagnostic message level
Convergence Override default values for integration parameters, downhill flow options, correlation
parameters and Beggs and Brill coefficients (optional input)
BlockOptions Override global values for physical properties, simulation options, diagnostic message levels,
and report options for this block
UserSubroutines Specify name and parameters for pressure drop and liquid holdup user subroutines
Results View summary of Pipeline results, inlet and outlet stream results, profiles, and material and
energy balance results
Stream Specification
You must init ialize t he inlet st r eam t o Pipeline whenever t he Use Inlet Flow opt ion
is select ed for Pipeline Flow Basis, even if t he inlet pr essur e is being calculat ed.
Similar ly, you must init ialize t he out let st r eam whenever you select t he Refer ence
Out let St r eam Flow opt ion. The init ialized st r eam must be one of t he following:
• On a st r eam for m
• An out let st r eam fr om par t of t he flowsheet execut ed pr eviously
• Tr ansfer r ed fr om anot her par t of a flowsheet using a Tr ansfer block
Nodes and Segments
Cr eat e at least one segment using t he New but t on on t he Pipeline Set up
Connect ivit y sheet .
Ent er specificat ions for each segment on t he Set up Connect ivit y Segment Dat a
dialog box . For each segment , ent er t he inlet and out let node names (maximum 4
char act er s). The r equir ed dat a depends on t he opt ions select ed on t he Set up
Configur at ion sheet . If you select Do Ener gy Balance wit h Sur r oundings, you
must specify a heat t r ansfer coefficient (U-Value) and t he ambient t emper at ur e.
If you select t he Linear Temper at ur e Pr ofile opt ion, Pipeline uses t he
t emper at ur es specified for t he nodes t o over r ide t he st r eam values. If specificat ions
ar e not made for t he nodes, t hen Pipeline uses t he st r eam values.
If you select Ent er Node Coor dinat e, you must ent er node coor dinat es (X, Y, and
Elevat ion) for each segment node. You must ent er Lengt h and Angle for each
segment if you select Ent er Segment Lengt h and Angle.
Unit Oper at ion Models 6-45
Ver sion 10
Chapter 6
Physical Property Calculations
You can specify a r igor ous flash each t ime pr oper t ies ar e calculat ed by select ing Do
Flash at Each St ep on t he Set up Configur at ion sheet . If Int er polat e fr om Pr oper t y
Gr id is select ed, Pipeline will det er mine pr oper t ies by int er polat ing in a t able of
pr oper t y values at var ious t emper at ur es and pr essur es. Specify one of t he following
if you use t he Pr oper t y Gr id:
• A r ange of t emper at ur es and pr essur es gr id on t he Set up Pr oper t yGr id sheet .
Pipeline calculat es pr oper t ies under t hese condit ions and int er polat es t hem.
• The block ID of a Pipeline block for which you select ed Int er polat e fr om t he
Pr oper t y Gr id, and which will be execut ed befor e t he cur r ent block in t he
flowsheet .
Pressure Drop Calculations
Pipeline can calculat e pr essur e dr op for eit her one-, t wo-, or t hr ee-phase vapor and
liquid flows. If vapor -liquid flow exist s, Pipeline also calculat es liquid holdup and
flow r egime (pat t er n). You may specify a flowing fluid t emper at ur e pr ofile, or
Pipeline can calculat e it fr om heat t r ansfer calculat ions. Pipeline t r eat s mult iple
liquid phases (for example, oil and wat er ) as a single homogeneous liquid phase for
pr essur e-dr op and holdup calculat ions. Pipeline aut omat ically det ect s t he special
case of a single component fluid (for example, st eam) and t r eat s it appr opr iat ely.
Downstream and Upstream Integration
For downst r eam and upst r eam int egr at ion, t he combinat ion of t he select ions
made for Calculat ion Dir ect ion and Pipeline Flow Basis on t he Set up
Configur at ion sheet det er mine which st r eam Pipeline will updat e. The following
t able descr ibes t he available combinat ions. The next figur e, Downst r eam and
Upst r eam Int egr at ion, defines t he inlet and out let st r eam and pr essur e
var iables.
If you specify Calculation
Direction= And Pipeline Flow Basis= Then Pipeline updates the
Calculate Outlet Pressure Reference inlet stream flow Outlet stream only
Calculate Outlet Pressure Use outlet stream flow Outlet stream thermodynamic conditions
Inlet stream composition and flow
Calculate Inlet Pressure Reference Outlet Stream Flow Inlet stream only
Calculate Inlet Pressure Use Inlet Stream Flow Inlet stream thermodynamic conditions
Outlet stream composition and flow
6-46 Unit Oper at ion Models
Ver sion 10
Pressure
Changers
Inlet Stream
Inlet Pressure Outlet Pressure
Outlet Stream
Downstream and Upstream Integration
Design Spec Convergence Loop
Use caut ion when using Pipeline inside a Design-Spec conver gence loop. For
example, suppose you achieve a desir ed pipeline out let pr essur e by var ying t he
flow r at e t o t he pipeline. In t his case, t he flow r at e var iable might cause Pipeline t o
pr edict negat ive pr essur es, r esult ing in conver gence pr oblems. You can avoid t his
sit uat ion by doing one of t he following:
• Keep t he upper limit of t he flow r at e sufficient ly low in t he Design-Spec
• Per for m an upst r eam int egr at ion fr om t he known out let pr essur e. Use
Calculat e Inlet Pr essur e on t he Set up Configur at ion sheet for t his pur pose.
Your Design-Spec will t hen need t o manipulat e t he flow r at e t o achieve t he
specified inlet pr essur e.
Erosional Velocity
Er osional velocit y is t he velocit y of t he fluid in t he pipe over which t he pipe
mat er ial will st ar t t o br eak off. The fluid is t r aveling so fast t hat it st ar t s t o st r ip
mat er ial fr om t he walls of t he pipe. In gener al usage, t he flow r at e should be below
t his value.
You can specify t he er osional velocit y coefficient in t he C-Er osion field on t he
Segment Dat a dialog box on t he Set up Connect ivit y sheet .
The er osional velocit y is r elat ed t o t he er osional velocit y coefficient by t he
following equat ion:
v
c
c
·
ρ
Wher e:
v
c
= Er osional velocit y in ft /sec
c = Er osional velocit y coefficient (default =100)
ρ
= Densit y in lb/cubic ft
Unit Oper at ion Models 6-47
Ver sion 10
Chapter 6
Methane Gas Systems
Gas syst ems consist ing most ly of met hane occur fr equent ly in t he dense-phase
r egion of wellbor es and flowlines. In t he dense-phase r egion, definable vapor and
liquid phases do not exist . Equat ion-of-st at e met hods classify t he dense-phase
mat er ial as eit her all vapor or all liquid. Significant differ ences in t he pr edict ed
fluid t r anspor t pr oper t ies may occur , depending on whet her you choose t he vapor
or liquid st at e.
Exper ience has shown t hat gas syst em flow in t he dense-phase r egion is best
modeled by using vapor -phase pr oper t ies. For syst ems consist ing of most ly
met hane, wher e t he pipeline condit ions lie above t he cr icondenbar of t he phase
envelope, specify Valid Phases = Vapor only on t he Set up FlashOpt ions sheet .
Two-Phase Correlati ons
The following t ables list t he t wo-phase fr ict ional pr essur e dr op and holdup
cor r elat ions available.
Two-Phase Friction Factor Correlations
Pipe orientation Inclination Friction factor correlations
Horizontal -2 deg to +2 deg Beggs and Brill (BEGGS-BRILL)
Dukler (DUKLER)
Lockhart-Martinelli (LOCK-MART)
Darcy (DARCY)
User subroutine

(USER-SUBR)
Vertical +45 deg to +90 deg Beggs and Brill (BEGGS-BRILL)
Orkiszewski (ORKI)
Angel-Welchon-Ros (AWR)
Hagedorn-Brown (H-BROWN)
Darcy (DARCY)
User subroutine

(USER-SUBR)
Downhill -2 deg to -90 deg Beggs and Brill (BEGGS-BRILL)
Slack (SLACK)
Darcy (DARCY)
User subroutine

(USER-SUBR)
Inclined +2 deg to +45 deg Beggs and Brill (BEGGS-BRILL)
Dukler (DUKLER)
Orkiszewski (ORKI)
Angel-Welchon-Ros (AWR)
Hagedorn-Brown (H-BROWN)
Darcy (DARCY)
User subroutine

(USER-SUBR)

S ee ASPEN PLUS User Models.
6-48 Unit Oper at ion Models
Ver sion 10
Pressure
Changers
Two-Phase Liquid Holdup Correlations
Pipe orientation Inclination Liquid holdup correlations
Horizontal -2 deg to +2 deg Beggs and Brill (BEGGS-BRILL)
Eaton (EATON)
Lockhart-Martinelli (LOCK-MART)
Hoogendorn (HOOG)
Hughmark (HUGH)
User subroutine

(USER-SUBR)
Vertical +45 deg to +90 deg Beggs and Brill (BEGGS-BRILL)
Orkiszewski (ORKI)
Angel-Welchon-Ros (AWR)
Hagedorn-Brown (H-BROWN)
User subroutine

(USER-SUBR)
Downhill -2 deg to -90 deg Beggs and Brill (BEGGS-BRILL)
Slack (SLACK)
User subroutine

(USER-SUBR)
Inclined +2 deg to +45 deg Beggs and Brill (BEGGS-BRILL)
Flanigan (FLANIGAN)
Orkiszewski (ORKI)
Angel-Welchon-Ros (AWR)
Hagedorn-Brown (H-BROWN)
User subroutine

(USER-SUBR)

S ee ASPEN PLUS User Models .
Note Some of t he r elat ed infor mat ion for t he t wo-phase fr ict ion fact or
and liquid holdup cor r elat ions was t aken fr om "Two-Phase Flow
in Pipes" by J ames P. Br ill and H. Dale Beggs, Sixt h Edit ion,
Thir d Pr int ing, J anuar y, 1991.
Beggs and Bri ll Correlati on
Slip and flow r egimes ar e consider ed wit h t his met hod. Fr ict ion fact or and
holdup cor r elat ions depend upon flow r egime and pipe inclinat ion. It is suit able
for all inclinat ions, including ver t ical flow downwar d.
1
Dukler Correlati on
The Hughmar k holdup met hod should be used wit h t his pr essur e dr op met hod.
The Dukler met hod was developed fr om field dat a using air -wat er mixt ur es in
1-inch pipes.
2
It t ends t o over -pr edict fr ict ional pr essur e dr op. It is r ecommended
in a design manual published joint ly by t he AGA and API.
Unit Oper at ion Models 6-49
Ver sion 10
Chapter 6
Hagedorn-Brown Correlati on
The Hagedor n-Br own cor r elat ion
3
consider s slip bet ween phases, but flow r egime
is not consider ed. It uses t he same cor r elat ions for liquid holdup and fr ict ion
fact or for all flow r egimes. It is an old met hod t hat wor ks well for convent ional oil
wells. It is suit able for ver t ical upwar d flow, but not downwar d. It is gener ally
r ecommended for gas wells, and is based on dat a obt ained fr om U.S. Gulf Coast
oil wells wit h 2-3/8 inch and 2-7/8 inch t ubing.
Lockhart-Marti nelli Correlati on
The Lockhar t -Mar t inelli cor r elat ion
4
is one of t he oldest pr essur e dr op
cor r elat ions. It does not consider pr essur e dr op due t o acceler at ion. The met hod
t r eat s t he vapor and liquid phases separ at ely and uses a cor r ect ion fact or t o find
t he 2-phase pr essur e gr adient . Our implement at ion assumes t ur bulent gas and
liquid phase flow.
Orki szewski Correlati on
The Or kiszewsi cor r elat ion consider s slip and flow r egimes
5
. The fr ict ion fact or
and holdup cor r elat ion depend on t he flow r egime. It is suit able for ver t ical flow
upwar d, but not downwar d. It is gener ally r eliable for oil wells. It may exhibit
pr oblems for oil wells wit h high wat er cut s or high t ot al gas t o liquid r at ios. It
can significant ly under pr edict pr essur e dr op for higher r at e and higher pr essur e
wells (Beggs and Br ill/1984)
3
.
Angel-Welchon-Ros Correlati on
This Angel-Welchon-Ros met hod
6,7
was developed for low gas-t o-liquid r at io wat er
wells. It assumes no slip bet ween t he vapor and liquid phases when calculat ing
liquid holdup.
Slack Correlati on
This met hod assumes a st r at ified flow r egime, and should be used only for
downhill flow.
Eaton Correlati on
The Eat on cor r elat ion
8
holdup met hod was developed fr om dat a on 2- and 4-inch
pipes wit h a gas-wat er -cr ude mixt ur e, and a 17-inch pipe wit h a gas-oil mixt ur e.
It is oft en used wit h t he Dukler fr ict ional pr essur e dr op cor r elat ion.
6-50 Unit Oper at ion Models
Ver sion 10
Pressure
Changers
Flani gan Correlati on
The Flanigan cor r elat ion
9
holdup met hod was developed fr om dat a t aken in a
16-inch pipe. It calculat es liquid holdup as a funct ion of super ficial gas velocit y.
It is suit able for inclined flow.
Beggs and Brill Correlation Parameters
The following t able list s t he Beggs and Br ill liquid holdup cor r elat ion
par amet er s.
Flow Regime Name Description
Segregated BB1
BB2
BB3
Leading coefficient, A (default = 0.98)
Liquid volume fraction exponent, alpha (default = 0.4846)
Froude no. exp., beta (default = 0.0868)
Intermittent BB4
BB5
BB6
Leading coefficient, A (default = 0.845)
Liquid volume fraction exponent, alpha (default = 0.5351)
Froude no. exp., beta (default = 0.0173)
Distributed BB7
BB8
BB9
Leading coefficient, A (default = 1.065)
Liquid volume fraction exponent, alpha (default = 0.5824)
Froude no. exp., beta (default = 0.0609)
In addit ion, you can change t he Beggs and Br ill t wo-phase Fr ict ion Fact or modifier ,
BB10 (default = 1.0).
Closed-Form Methods
The following ar e closed-for m met hods:
• Smit h
• Weymout h
• AGA
• Oliphant
• Panhandle A
• Panhandle B
• Hazen-Williams
Unit Oper at ion Models 6-51
Ver sion 10
Chapter 6
Smi th
The Smit h met hod
10
may be used for ver t ical dr y gas flow. It should be consider ed
for gas wells wit h condensat e-gas r at ios less t han 50 bbls/mcf, wat er -gas r at ios
less t han 3.5 bbls/mcf, and flow r at es above t he Tur ner pr edict ed cr it ical r at e.
Smit h does not model gas well loadup, and will significant ly under pr edict
wellbor e pr essur e dr op if loadup is act ually occur r ing. Smit h r esult s must be
cr oss-checked against t he Tur ner pr edict ed cr it ical r at es t o ver ify t hat t he well is
unloaded. Smit h also does not model condensat ion of wat er vapor in t he wellbor e.
Weymouth
The Weymout h
11
hor izont al gas flow equat ion was fir st published in 1912. It is
based on dat a t aken on pipes wit h diamet er s fr om 0.8 inches t o 11.8 inches. As a
r esult , it is most accur at e for smaller pipes having a diamet er less t han 12
inches.
AGA
The AGA met hod
12
may be used for hor izont al gas applicat ions.
Oli phant
The Oliphant met hod
13
may be used for hor izont al gas applicat ions wit h
pr essur es bet ween vacuum and 100 PSI.
Panhandle A
The Panhandle A met hod
14
was developed by Panhandle East er n for hor izont al
gas flow in lar ge diamet er cr oss count r y gas t r ansmission lines. As a r esult , it is
best used on lines having diamet er s lar ger t han 12 inches. However , it does not
account for gas compr essibilit y (Z-fact or ), and assumes complet ely t ur bulent
flow.
Panhandle B
The Panhandle B met hod
14
is a r evised ver sion of t he Panhandle A met hod for
hor izont al gas flow and was developed by Panhandle East er n.

It is also called t he
"Panhandle East er n Revised Equat ion". It account s for t he gas compr essibilit y
fact or , and has r evised exponent s. This equat ion is not quit e so Reynolds-Number
dependent as t he Panhandle A equat ion, alt hough it , t oo, is best for pipe
diamet er s of 12 inches or mor e.
6-52 Unit Oper at ion Models
Ver sion 10
Pressure
Changers
Hazen-Wi lli ams
The Hazen-Williams met hod
14
was developed for t he hor izont al flow of wat er
When t his met hod is used, t he Hazen-Williams Coefficient must be specified in
place of t he Segment Efficiency on t he Connect ivit y Edit Dialog Box.
References
1. Beggs, H.D. and Br ill, J .P., "A St udy of Two-Phase Flow in Inclined Pipes,"
J ournal of Petroleum Technology, May 1973, pp. 607-617.
2. Dukler , A.E., Wicks, M., and Cleveland, R.G, "Fr ict ional Pr essur e Dr op in
Two-Phase Flow: An Appr oach Thr ough Similar it y Analysis," AIChE J ournal,
Vol. 10, No. 1, J anuar y 1964, pp. 44-51.
3. Beggs, H.D. and Br ill, J .P., "Two-Phase Flow in Pipes," Univer sit y of Tulsa
Shor t Cour se Not es, Thir d Pr int ing, Febr uar y 1984.
4. Lockhar t , R.W. and Mar t inelli, R.C., "Pr oposed Cor r elat ion of Dat a for
Isot her mal Two-Phase, Two-Component Flow in Pipes," Chemical
Engineering Progress, Vol. 45, 1949, pp. 39-48.
5. Or kiszewski, J ., "Pr edict ing Two-Phase Pr essur e Dr ops in Ver t ical Pipe,"
J ournal of Petroleum Technology, J une 1967, pp. 829-838.
6. Angel, R.R. and Welchon, J .K., "Low-Rat io Gas-Lift Cor r elat ion for Casing-
Tubing Annuli and Lar ge Diamet er Tubing," API Dr illing and Pr oduct ion
Pr act ice, 1964, pp. 100-114.
7. Ros, N.C.J ., "Simult aneous Flow of Gas and Liquid as Encount er ed in Well
Tubing," J ournal of Petroleum Technology, Oct ober 1961, pp. 1037-1049.
8. Eat on, B.A. et al., "The Pr edict ion of Flow Pat t er ns, Liquid Holdup, and
Pr essur e Losses Occur r ing Dur ing Cont inuous Two-Phase Flow in Hor izont al
Pipelines," Tr ans. AIME, J une 1967, pp. 815-828.
9. Flanigan, Or in, "Effect of Uphill Flow on Pr essur e Dr op in Design of Two-
Phase Gat her ing Syst ems," Oil and Gas J ournal , Mar ch 10, 1958, pp. 132-
141.
10. Smit h, R. V., "Det er mining Fr ict ion Fact or s for Measur ing Pr oduct ivit y of
Gas Wells," AIME Petroleum Transactions, Volume 189, 1950, pp. 73-82.
11. Weymout h, T.R., Transactions of the American S ociety of Mechanical
Engineers, Vol. 34, 1912.
12. "St eady Flow in Gas Pipes," Amer ican Gas Associat ion, IGT Technical Repor t
10, Chicago, 1965.
Unit Oper at ion Models 6-53
Ver sion 10
Chapter 6
13. Oliphant , F.N., "Pr oduct ion of Nat ur al Gas," Repor t of USGS, 1902.
14. Engineer ing Dat a Book, Volume II, Gas Pr ocessor s Supplier s Associat ion,
Tulsa, Oklahoma, Revised Tent h Edit ion, 1994.
y y y y
6-54 Unit Oper at ion Models
Ver sion 10
Pressure
Changers
Unit Oper at ion Models 7-1
Ver sion 10
Chapter 7
7 Manipulators
This chapt er descr ibes t he models for st r eam manipulat or s. The models ar e:
Model Description Purpose Use For
Mult Stream multiplier Multiplies component and total flow rates by
a factor
Scaling streams by a factor
Dupl Stream duplicator Copies inlet stream into any number of
duplicate outlet streams
Duplicating feed or internal
streams
ClChng Stream class changer Changes stream class between blocks and
flowsheet sections
Adding or deleting empty
solid substreams between
flowsheet sections
Use st r eam manipulat or s t o modify st r eam var iables for your convenience. They do
not r epr esent r eal unit oper at ions.
7-2 Unit Oper at ion Models
Ver sion 10
Manipulators
Mult
Stream Multiplier
Mult mult iplies t he component flow r at es and t he t ot al flow r at e of a mat er ial
st r eam by a fact or you supply on t he Mult Input Specificat ions sheet . For heat or
wor k st r eams, Mult mult iplies t he heat or wor k flow. Select t he Heat (Q) and Wor k
(W) Mult icons fr om t he Model Libr ar y for heat and wor k st r eams r espect ively.
Mult is useful when ot her condit ions dur ing t he simulat ion det er mine t he flow r at e
of t he st r eam. Mult does not maint ain heat or mat er ial balances. For mat er ial
st r eams, t he out let st r eam has t he same composit ion and int ensive pr oper t ies as
t he inlet st r eam.
Flowsheet Connecti vi ty for Mult
Material
or
Heat
or
Work
Material
or
Heat
or
Work
Materi al Streams
Inlet One mat er ial st r eam
Outlet One mat er ial st r eam
Heat Streams
Inlet One heat st r eam
Outlet One heat st r eam
Work Streams
Inlet One wor k st r eam
Outlet One wor k st r eam
Unit Oper at ion Models 7-3
Ver sion 10
Chapter 7
The out let st r eam must be t he same t ype (mat er ial, heat , or wor k) as t he inlet
st r eam.
Speci fyi ng Mult
The st r eam mult iplicat ion fact or , specified on t he Input Specificat ions sheet , is
t he only input r equir ed for Mult . This fact or has t o be posit ive for mat er ial
st r eams. You can specify eit her a posit ive or negat ive fact or for heat or wor k
st r eams, t hus allowing a change in dir ect ion for t he heat or wor k flow.
Use t he Input Diagnost ics sheet t o over r ide global values for t he st r eam and
simulat ion message levels specified on t he Set up Specificat ions Diagnost ics
sheet .
This model has no dynamic feat ur es. For mat er ial st r eam mult iplier s t he
pr essur e of each out let st r eam is equal t o t he pr essur e of t he inlet st r eam. The
flow r at e of each out let st r eam is equal t o t he flow r at e of t he inlet st r eam
mult iplied by t he fact or as specified in t he st eady-st at e simulat ion.
7-4 Unit Oper at ion Models
Ver sion 10
Manipulators
Dupl
Stream Duplicator
Dupl copies an inlet st r eam (mat er ial, heat , or wor k) t o any number of duplicat e
out let st r eams. It is useful for simult aneously pr ocessing a st r eam in differ ent
t ypes of unit s. Select t he Heat (Q) and Wor k (W) Dupl icons fr om t he Model
Libr ar y for heat and wor k st r eams r espect ively. Dupl does not maint ain heat or
mat er ial balances.
Flowsheet Connecti vi ty for Dupl
Material
Material
(any number)
Flowsheet for Duplicating Material Streams
Materi al Streams
Inlet One mat er ial st r eam
Outlet At least one mat er ial st r eam, which is a copy of t he inlet st r eam
Heat
Heat
(any number)
Flowsheet for Duplicating Heat Streams
Heat Streams
Inlet One heat st r eam
Outlet At least one heat st r eam, which is a copy of t he inlet st r eam
Unit Oper at ion Models 7-5
Ver sion 10
Chapter 7
Work
Work
(any number)
Flowsheet for Duplicating Work Streams
Work Streams
Inlet One wor k st r eam
Outlet At least one wor k st r eam, which is a copy of t he inlet st r eam
Speci fyi ng Dupl
Dupl r equir es no input par amet er s. Use t he Input Diagnost ics sheet t o over r ide
global values for t he st r eam and simulat ion message levels specified on t he Set up
Specificat ions Diagnost ics sheet .
This model has no dynamic feat ur es. For mat er ial st r eam duplicat or s t he
pr essur e of each out let st r eam is equal t o t he pr essur e of t he inlet st r eam. The
flow r at e of each out let st r eam is equal t o t he flow r at e of t he inlet st r eam.
7-6 Unit Oper at ion Models
Ver sion 10
Manipulators
ClChng
Stream Class Changer
ClChng changes t he st r eam class bet ween blocks and flowsheet sect ions. You can
use ClChng t o add or delet e empt y solid subst r eams bet ween flowsheet sect ions.
ClChng does not r epr esent a r eal unit oper at ion.
Flowsheet Connecti vi ty for ClChng
Feed Product
Materi al Streams
Inlet One mat er ial feed st r eam
Outlet One mat er ial pr oduct st r eam
Speci fyi ng ClChng
ClChng does not r equir e input . It copies subst r eams fr om t he inlet st r eam t o t he
cor r esponding subst r eams of t he out let st r eam.
If a substream is Then ClChng
In the outlet but not in the inlet Initializes the substream to zero flow
In the inlet but not in the outlet Drops the substream
ClChng does not maint ain mass and ener gy balances if any dr opped subst r eam
cont ains mat er ial flow or heat /wor k infor mat ion.
y y y y
Unit Oper at ion Models 8-1
Ver sion 10
Chapter 8
8 Solids
This chapt er descr ibes t he unit oper at ion models for solids pr ocessing such as
cr yst allizer s, solid cr usher s and separ at or s, gas-solid separ at or s, liquid-solid
separ at or s, and solids washer s. The models ar e:
Model Description Purpose Use For
Crystallizer Crystallizer Produces crystals from solution based on
solubility
Mixed suspension, mixed product removal
(MSMPR) crystallizer
Crusher Solids crusher Breaks solid particles to reduce particle
size
Wet and dry crushers, primary and
secondary crushers
Screen Solids separator Separates solid particles based on particle
size
Upper and lower
dry and wet screens
FabFl Fabric filter Separates solids from gas using fabric
filter baghouses
Rating and sizing baghouses
Cyclone Cyclone
separator
Separates solids from gas using gas
vortex in a cyclone
Rating and sizing cyclones
VScrub Venturi scrubber Separates solids from gas by direct
contact with an atomized liquid
Rating and sizing
venturi scrubbers
ESP Electrostatic
precipitator
Separates solids from gas using an
electric charge between two plates
Rating and sizing dry electrostatic
precipitators
HyCyc Hydrocyclone Separates solids from liquid using liquid
vortex in a hydrocyclone
Rating or sizing hydrocyclones
CFuge Centrifuge filter Separates solids from liquid using a
rotating basket
Rating or sizing centrifuges
Filter Rotary vacuum
filter
Separates solids from liquid using a
continuous rotary vacuum filter
Rating or sizing rotary vacuum filters
SWash Single-stage
solids washer
Models recovery of dissolved components
from an entrained liquid of a solids stream
using a washing liquid
Single -stage solids washer
CCD Counter-current
decanter
Models multi-stage recovery of dissolved
components from an entrained liquid of a
solids stream using a washing liquid
Multi-stage solids washers
8-2 Unit Oper at ion Models
Ver sion 10
Solids
This chapt er is or ganized int o t he following sect ions:
Section Models
Crystallizer Crystallizer
Crushers and Screens Crusher, Screen
Gas-Solid Separators FabFl, Cyclone, VScrub, ESP
Liquid-Solid Separators HyCyc, CFuge, Filter
Solids Washers SWash, CCD
Unit Oper at ion Models 8-3
Ver sion 10
Chapter 8
Crystalli zer
Mixed Suspension Mixed Product Removal Crystallizer
Cr yst allizer models a mixed suspension, mixed pr oduct r emoval (MSMPR)
cr yst allizer . It per for ms mass and ener gy balance calculat ions and opt ionally
det er mines t he cr yst al size dist r ibut ion.
Cr yst allizer assumes t hat t he pr oduct magma leaves t he cr yst allizer in
equilibr ium, so t he mot her liquor in t he pr oduct magma is sat ur at ed.
The feed t o Cr yst allizer mixes wit h r ecir culat ed magma and passes t hr ough a
heat exchanger befor e it ent er s t he cr yst allizer .
The pr oduct st r eam fr om Cr yst allizer cont ains liquids and solids. You can pass
t his st r eam t hr ough a hydr ocyclone, filt er , or ot her fluid-solid separ at or t o
separ at e t he phases. Cr yst allizer can have an out let vapor st r eam.
Flowsheet Connecti vi ty for Crystalli zer
Material
(any number)
Heat
(optional)
Vapor
(optional)
Heat
(optional)
Liquid
and Solid
Materi al Streams
Inlet At least one mat er ial st r eam
Outlet One mat er ial st r eam for liquid and solid
One opt ional vapor st r eam
The out let mat er ial st r eam should nor mally have at least one solid subst r eam for
t he cr yst als for med. If you select Calculat e PSD fr om Gr owt h Kinet ics or User -
Specified Values on t he PSD PSD sheet , each subst r eam must have a par t icle
size dist r ibut ion (PSD) at t r ibut e.
8-4 Unit Oper at ion Models
Ver sion 10
Solids
If elect r olyt e salt s ar e for med based on elect r olyt e chemist r y calculat ions, a solid
subst r eam is not r equir ed when you select Copy fr om Inlet St r eam on t he PSD
PSD sheet .
If you do not use t he vapor out let st r eam, vapor pr oduct s will be placed in t he
liquid/solid pr oduct st r eam.
Heat Streams
Inlet Any number of opt ional inlet heat st r eams
Outlet One opt ional out let heat st r eam
If you give only one specificat ion on t he Set up Specificat ions sheet (t emper at ur e
or pr essur e), Cr yst allizer uses t he sum of t he inlet heat st r eams as a dut y
specificat ion. Ot her wise, Cr yst allizer uses t he inlet heat st r eams only t o
calculat e t he net heat dut y. The net heat dut y is t he sum of t he inlet heat
st r eams minus t he act ual (calculat ed) heat dut y.
You can use an opt ional out let heat st r eam for t he net heat dut y.
Speci fyi ng Crystalli zer
Cr yst allizer calculat es cr yst al pr oduct flow r at e and/or vapor flow, based on
solubilit y dat a you supply. Or you can specify t he chemist r y for elect r olyt e syst ems
inst ead of specifying solubilit y dat a.
You must specify t wo of t he following:
• Cr yst allizer t emper at ur e
• Pr essur e or pr essur e dr op
• Heat dut y for t he heat exchanger
• Cr yst al pr oduct flow r at e
• Vapor flow
If you specify Crystallizer calculates
Temperature and Pressure Heat duty, crystal product flow rate, vapor flow rate
Pressure and Heat Duty Temperature, crystal product flow rate, vapor flow rate
Temperature and Heat Duty Pressure, crystal product flow rate, vapor flow rate
Pressure and Crystal Product Flow Rate Temperature, heat duty, vapor flow rate
Temperature and Crystal Product Flow Rate Pressure, heat duty, vapor flow rate
Pressure and Vapor Flow Rate Temperature, heat duty, crystal product flow rate
Temperature and Vapor Flow Rate Pressure, heat duty, crystal product flow rate
Unit Oper at ion Models 8-5
Ver sion 10
Chapter 8
Use t he following for ms t o ent er specificat ions and view r esult s for Cr yst allizer :
Use this form To do this
Setup Specify operating parameters, crystal product and solubility parameters,
recirculation options, and flash convergence parameters
PSD Specify PSD and crystal growth calculation parameters
Advanced Specify component attributes, convergence parameters, and name and parameters
for user solubility subroutine
BlockOptions Override global values for physical properties, simulation options, diagnostic
message levels, and report options for this block
Results View summary of Crystallizer results, material and energy balance results, and
crystal size distribution results
Reci rculati on Speci fi cati ons
You can model cr yst allizer wit h or wit hout magma r ecir culat ion. To act ivat e
r ecir culat ion, specify one of t he following on t he Set up Recir culat ion sheet :
• Recir culat ion fr act ion
• Recir culat ion flow r at e
• Temperat ure change across heat exchanger
If you want t o model a differ ent cr yst allizat ion pr ocess flowsheet , you can use
Cr yst allizer wit hout r ecir culat ion, and use ot her blocks in t he flowsheet t o model
t he r ecir culat ion.
Solubility
Cr yst allizer calculat es t he amount of cr yst al pr oduced at it s sat ur at ion (class II
cr yst allizat ion). You can pr ovide solubilit y dat a in one of t hese ways:
• Ent er solubilit y dat a on t he Set up Solubilit y sheet
• Refer ence an elect r olyt e chemist r y (defined in t he React ions Chemist r y
for ms) in which t he cr yst allizing component has been declar ed as a "salt "
• Supply a subr out ine t o pr ovide t he sat ur at ion concent r at ion or t o calculat e
cr yst al pr oduct flow r at e dir ect ly
8-6 Unit Oper at ion Models
Ver sion 10
Solids
Saturati on Calculati on Method
Choose t he sat ur at ion calculat ion met hod fr om t hese opt ions:
• Solubilit y met hod: Ident ify t he cr yst allizing component as solid pr oduct on
t he Set up Cr yst allizat ion sheet . Ent er solubilit y dat a on t he Set up Solubilit y
sheet . This dat a applies t o t he r eact ant species in t he mixed subst r eam.
• Chemist r y met hod: Cr eat e a new Chemist r y on t he React ions Chemist r y
object manager . Ent er t he cr yst allizat ion as a salt r eact ion on t he React ions
St oichiomet r y sheet . On t he BlockOpt ions Pr oper t ies sheet of t he cr yst allizer ,
ent er t he Chemist r y ID and select Tr ue Species for Simulat ion Appr oach. You
must specify t he cr yst allizing component as a Salt Component ID on t he
Set up Specificat ions sheet .
• User Subr out ine met hod: Ident ify t he cr yst allizing component on t he Set up
Cr yst allizat ion sheet and t he solubilit y dat a basis and solvent ID on t he
Set up Solubilit y sheet . Specify a user subr out ine t o calculat e sat ur at ion
concent r at ion or cr yst allizer yield on t he Advanced User Subr out ine sheet .
In gener al, when using t he Solubilit y met hod, you should blank out t he
Chemist r y ID field on t he BlockOpt ions Pr oper t ies sheet . If you specify chemist r y
when using t he Solubilit y met hod, t he chemist r y must not cont ain t he
cr yst allizing component .
Supersaturati on
The degr ee of super sat ur at ion is t he dr iving for ce for cr yst allizat ion pr ocesses.
Super sat ur at ion is defined as:
S C C
s
· −
Wher e:
S = Super sat ur at ion (kg of solut e/m
3
of solut ion)
C = Solut e concent r at ion
C
s
= Solut e sat ur at ion concent r at ion
Because t he cr yst allizer model assumes t hat t he pr oduct magma is in phase
equilibr ium, t his equat ion is not used. It is pr ovided only for r efer ence.
Unit Oper at ion Models 8-7
Ver sion 10
Chapter 8
Crystal Growth Rate
The cr yst al gr owt h r at e can be expr essed as a funct ion of t he degr ee of
super sat ur at ion (S ):
G k S
o
g
n
·
Where:
G
o
= Gr owt h r at e dependence on super sat ur at ion (m/s)
k
g
= Gr owt h r at e expr ession coefficient
n = Exponent
This expr ession is pr ovided as backgr ound infor mat ion only.
In ASPEN PLUS, G
o
is calculat ed implicit ly fr om t he t hir d moment of t he
populat ion densit y.
For a size-dependent gr owt h r at e, t he gr owt h r at e is a funct ion of cr yst al
lengt h (L):
G G L
o
· + ( ) 1 γ
α
For 0 1 ≤ ≤ α
Wher e:
γ
= Const ant
α = Exponent
If t he gr owt h r at e is independent of cr yst al size, t hen t he values for γ and αar e
set t o zer o.
8-8 Unit Oper at ion Models
Ver sion 10
Solids
Crystal Nucleation Rate
The over all nucleat ion r at e can be expr essed as t he sum of specific cont r ibut ing
fact or s (Bennet t , 1984)
1
:
B k G M R
o
b
i
T
j k
·
Wher e:
B
o
= Over all nucleat ion r at e
i, j, k = Exponent s
k
b
= Over all nucleat ion r at e expr ession coefficient
M
T
= Magma densit y = P/q (kg/m
3
)
G = Cr yst al gr owt h r at e
R = Impeller r ot at ion r at e (r evs/s)
P = Cr yst al mass flow r at e (kg/s)
q = Volumet r ic flow r at e of slur r y in t he dischar ge (m
3
/s)
Population Balance
If t he feed st r eam cont ains no cr yst als, t he populat ion balance for a well-mixed
cont inuous cr yst allizer can be wr it t en as (Randolph and Lar son, 1988)
2
:
d nG
dL
qn
V
( )
+ · 0
Wher e:
G = Cr yst al gr owt h r at e
n = Populat ion densit y (no. /m
3
/m)
L = Cr yst al lengt h (m)
V = Cr yst allizer volume (m
3
)
q = Volumet r ic flow r at e of slur r y in t he dischar ge (m
3
/s)
Unit Oper at ion Models 8-9
Ver sion 10
Chapter 8
The boundary condit ion is n n
o
· at L = 0, wher e n B G
o o
· / is t he populat ion
densit y of nuclei. For a const ant cr yst al gr owt h r at e, t he populat ion densit y is:
n L n
L
G
o
( ) ·

¸

1
]
1
exp
τ
wher e τ · V / q is t he cr yst al r esidence t ime.
PSD Stati sti cs
ASPEN PLUS calculat es t he cr yst al size dist r ibut ion st at ist ics once you select
t he Calculat e PSD fr om Gr owt h Kinet ics opt ion on t he PSD PSD sheet .
Pr oper t ies of t he dist r ibut ion may be evaluat ed fr om t he moment equat ions. The
j-t h moment of t he par t icle size dist r ibut ion is defined as:
m L n L dL
j
j
·


0
( )
The syst em r epor t s sever al cr yst al size dist r ibut ion st at ist ics, measur ed on a
volume or mass basis, including:
• Mean size
• St andar d deviat ion
• Skewness
• The coefficient of var iat ion (expr essed as a per cent age)
The mean size is t he mass-weight ed aver age cr yst al size, as det er mined by t he
r at io of t he four t h moment t o t he t hir d moment , as follows:
L
m
m
·
4
3
The skewness of a symmet r ic size dist r ibut ion about t he mean is zer o. Negat ive
values of skewness indicat e t he dist r ibut ion is skewed t owar d t he pr esence of
small cr yst als. Posit ive values of skewness indicat e t he cr yst al dist r ibut ion
cont ains an excess of lar ge cr yst als.
Skewness is defined as
∑ − f ( )
( )
x mean
standard deviation
3
3
8-10 Unit Oper at ion Models
Ver sion 10
Solids
The syst em uses t he coefficient of var iat ion t o calculat e var iat ion r elat ed t o t he
cumulat ive volume (or mass) dist r ibut ion.
Coeff Var(%) − ·

100
84 16
2 50
pd pd
pd
@(. ) @(. )
@(. )
wher e pd@(x) is t he par t icle diamet er cor r esponding t o fr act ion x of t he
cumulat ive volume (or mass) dist r ibut ion. The fr act ion can be ent er ed as t he
Fr act ional Coefficient on t he PSD Cr yst alGr owt h sheet ; ot her wise, it default s t o
.16.
Calculati ng PSD
The magma densit y, defined as t ot al mass of cr yst als per unit volume of slur r y,
can be obt ained fr om t he t hir d moment :
M k L n L dL
T c v
·


ρ
0
3
( )
Wher e:
ρ
c
= Densit y of cr yst al (kg/m
3
)
k
v
= Volume shape fact or of t he cr yst al
Since:
n L n
L
G
o
( ) ·

¸

1
]
1
exp
τ
,
n
B
G
o
o
o
· ,
and B k G M R
o
b
i
T
j k
·
t hese equat ions can be subst it ut ed int o t he t hir d moment of populat ion densit y,
yielding:
M k L k
G
G
M R
L
G
dL
T c v b
i
o T
j k
·

¸

1
]
1


ρ
τ
3
0
exp
wher e G G L
o
· + ( ) 1 γ
α
.
Because L is made discr et e by t he incr ement s of t he par t icle size dist r ibut ion, t he
equat ions can be solved for G
o
.
Unit Oper at ion Models 8-11
Ver sion 10
Chapter 8
References
1. Bennet t , R.C. "Cr yst allizat ion fr om Solut ion," Perry’s Chemical Engineers’
Handbook, 6th Ed., pp. 19.24-19.40, McGr aw-Hill, 1984.
2. Randolph, A.D. and Lar son, M.A., Theory of Particulate Processes, 2nd Ed.,
Academic Pr ess, 1988.
8-12 Unit Oper at ion Models
Ver sion 10
Solids
Unit Oper at ion Models 8-13
Ver sion 10
Chapter 8
Crusher
Solids Crusher
Use Cr usher t o simulat e t he br eaking of solid par t icles.
Cr usher can model t he wet or dr y cont inuous oper at ion of:
• Gyr at or y/jaw cr usher s
• Single-r oll cr usher s
• Mult iple-r oll cr usher s
• Cage mill impact br eaker s
Cr usher assumes t he feed is homogeneous. The br eaking pr ocess cr eat es
fr agment s wit h t he same composit ion as t he feed. Cr usher calculat es t he power
r equir ed for cr ushing, and t he par t icle size dist r ibut ion of t he out let solids
st r eam.
Cr usher does not account for t he heat pr oduced by t he br eaking pr ocess.
Flowsheet Connecti vi ty for Crusher
Feed
Crushed Solids
Work (optional)
Materi al Streams
Inlet One mat er ial st r eam wit h at least one solids subst r eam
Outlet One mat er ial st r eam
Each solids subst r eam must have a par t icle size dist r ibut ion (PSD) at t r ibut e.
8-14 Unit Oper at ion Models
Ver sion 10
Solids
Work Streams
Inlet No inlet wor k st r eams
Outlet One wor k st r eam cont aining t he calculat ed power r equir ement
(opt ional)
Speci fyi ng Crusher
Use t he Input Specificat ions and Gr indabilit y sheet s t o specify oper at ing
condit ions. You must ent er t he t ype of cr usher and maximum par t icle diamet er on
t he Input Specificat ions sheet . You must also specify t he Bond wor k index or t he
Har dgr ove gr indabilit y index for each solids subst r eam on t he Gr indabilit y sheet .
The out let flow r at e of cr ushed pr oduct in t he k-th size int er val is:
[ ]
P F S B S F
k
j i
ij i ik
j
k kj
( ) ( ( ) ( ) β β β β · + −
∑ ∑ ∑
) 1
Wher e:
B
ik
= Br eakage funct ion. Fr act ion of par t icles or iginally in size
int er val i t hat end up in size int er val k
F
ij
= Flow r at e of feed in t he size int er val i and par t icle size
dist r ibut ion j
P
k
= Flow r at e of solid in size int er val k
Si = Select ion funct ion. Fr act ion of feed par t icles in size int er val i
t o be cr ushed at t he out let diamet er β
S
k
= Select ion funct ion. Fr act ion of feed par t icles in size int er val
k t o be cr ushed at t he out let diamet er β
β = Cr usher out let diamet er (Maximum Par t icle Diamet er field)
i
= Size int er val count er wit hin a PSD
j
= PSD count er for mult iple size dist r ibut ion
If t he inlet st r eam cont ains no liquid, t hen Cr usher assumes dr y cr ushing, and
power r equir ement s incr ease by 34%.
Unit Oper at ion Models 8-15
Ver sion 10
Chapter 8
You can ent er t abular values for t he br eakage ( ) B
ik
funct ion on t he Input
Br eakageFunct ion sheet and for t he select ion ( ) S
i
funct ion on t he Input
Select ionFunct ion sheet , or let Cr usher use t he built -in t ables (U.S. Bur eau of
Mines, 1977) (see t he following t wo t ables).
Breakage Function Correlations B
ik
( ) β
Feed size/solids outlet diameter >1.7
Feed size/solids
outlet diameter <1.7
Ratio of product size to
feed size
Multiple roll
crusher
Gyratory/jaw
crusher
Single roll
crusher
Cage mill
crusher All crushers
1.0 1.0 1.0 1.0 1.0 1.0
0.8308 0.95 0.95 0.96 0.84 0.8972
0.5882 0.85 0.85 0.79 0.50 0.7035
0.4176 0.65 0.70 0.45 0.32 0.54
0.2065 0.35 0.35 0.20 0.15 0.2952
0.1041 0.22 0.20 0.10 0.052 0.1564
0.0522 0.14 0.19 0.05 0.019 0.0805
0.0368 0.11 0.17 0.03 0.011 0.0572
0.026 0.09 0.12 0.02 0.0066 0.0406
0.0131 0.03 0.08 0.0 0.002 0.0206
0.0 0.0 0.0 0.0 0.0 0.0
Selection Function Correlations, S
i
( ) β
Ratio of feed size to
outlet diameter Primary crusher Secondary crusher
0.95 0.5695 0.7693
0.9 0.3817 0.6962
0.8 0.1716 0.5695
0.7 0.0771 0.4667
0.6 0.0347 0.3817
0.5 0.0156 0.3128
0.4 0.007 0.256
0.3 0.00315 0.2096
0.2 0.00145 0.1716
continued
8-16 Unit Oper at ion Models
Ver sion 10
Solids
Ratio of feed size to
outlet diameter Primary crusher Secondary crusher
0.1 0.0006 0.1405
0.05 0.00043 0.1271
0.001 0.00026 0.1153
0.0001 0.00026 0.1148
If t he r at io of feed size t o out let diamet er is gr eat er t han 1.0, t hen S
i
( ) . β · 0 85 .
Use t he following for ms t o ent er specificat ions and view r esult s for Cr usher :
Use this form To do this
Input Enter crusher operating parameters, the Bond work index or the Hardgrove
grindability index, and user-specified selection and breakage functions
BlockOptions Override global values for physical properties, simulation options, diagnostic
message levels, and report options for this block
Results View summary of Crusher results and material and energy balances
Pri mary and Secondary Crushers
Cr ushing oper at ions ar e usually per for med in st ages. The r educt ion r at io is t he
r at io of t he maximum diamet er of feed par t icles t o pr oduct par t icles. The
r educt ion r at io in cr usher s r anges fr om 3 t o 6 per st age. Feed par t icles ar e fed t o
t he pr imar y cr usher s. Out let par t icles fr om t he pr imar y cr usher s ar e r educed
fur t her by t he secondar y cr usher s.
Cr usher uses differ ent cor r elat ions for pr imar y and secondar y cr usher s. Use t he
Oper at ing Mode field on t he Input Specificat ions sheet t o ent er t he t ype of
cr usher .
To impr ove t he efficiency of mult ist age cr usher s, use scr eens bet ween st ages.
Power Requi rement
The following equat ion det er mines t he power r equir ement for Cr usher :
( )
POWER
X X BWI FLOWT
X X
F p
F p
·
− × ×
×
001 .
Unit Oper at ion Models 8-17
Ver sion 10
Chapter 8
Wher e:
POWER = Requir ed power (Wat t )
X
F
= Diamet er lar ger t han 80% of feed par t icle mass (m)
X
P
= Diamet er lar ger t han 80% of pr oduct par t icle mass (m)
BWI = Bond wor k index
FLOWT = Tot al solids mass flow r at e (kg/s)
For dr y cr ushing, power r equir ement incr eases by 34%.
If X
p
is less t han 70 micr omet er s, t hen t he power r equir ed is fur t her adjust ed
by:
POWER POWER
X
X
p
p
·
× + ¸
¸

_
,


10 6 10
1145
6
.
.
Bond Work Index
The Bond equat ion defines t he wor k consumed in size r educt ion:
E E
X X
X X
i
F P
F
P
·

100
Where:
E
= Wor k r equir ed t o r educe a unit weight of feed wit h 80%
passing a diamet er X
F
micr ons t o a pr oduct wit h 80%
passing a diamet er X
p
micr ons
E
i
= Bond wor k index, t hat is, t he wor k r equir ed t o r educe a unit
weight fr om a t heor et ical infinit e size t o 80% passing a
diamet er of 100 micr omet er s
The Bond wor k index is a semi-empir ical par amet er t hat depends on t he pr oper t ies
of t he mat er ial pr ocessed. The Bond wor k indices have been measur ed
exper iment ally for a wide r ange of mat er ials, and ar e available in Perry’s Chemical
Engineers’ Handbook. Use exper iment al values wit h caut ion. The Bond wor k index
is also a funct ion of t he:
• Par t icle size for non-homogeneous mat er ials
• Efficiency of t he size-r educt ion equipment
8-18 Unit Oper at ion Models
Ver sion 10
Solids
Hardgrove Gri ndabi li ty Index
The Har dgr ove gr indabilit y index indicat es t he difficult y of gr inding coal based on
physical pr oper t ies such as har dness, fr act ur e, and t ensile st r engt h. The
Har dgr ove gr indabilit y index can be appr oximat ed by:
BWI
HGI
·
435
0 91 .
Wher e:
BWI = Bond wor k index
HGI = Har dgr ove gr indabilit y index
The HGI for some Unit ed St at es coals ar e available in Perry’s Chemical
Engineers’ Handbook .
References
1. Computer S imulation of Coal Preparation Plants, U.S. Bur eau of Mines,
Gr ant No. GO-155030, Final Repor t August (1977).
2. Perry’s Chemical Engineers’ Handbook, 6
t h
Ed., McGr aw Hill, 1984.
Unit Oper at ion Models 8-19
Ver sion 10
Chapter 8
Screen
Solids Separator
Scr een simulat es t he separ at ion by scr eens of a mixt ur e cont aining var ious sizes of
solid par t icles int o par t icles t hat have mor e unifor m sizes t han t he or iginal
mixt ur e. You can use Scr een t o model wet or dr y oper at ions and upper or lower
level scr eens.
Scr een calculat es t he separ at ion efficiency of t he scr een fr om t he size of scr een
openings you specify.
Flowsheet Connecti vi ty for Screen
Feed
Overflow
Underflow
Materi al Streams
Inlet One mat er ial st r eam wit h at least one solids subst r eam
Outlet One mat er ial st r eam for par t icles t hat do not pass t hr ough t he
scr een (over flow)
One mat er ial st r eam for par t icles t hat pass t hr ough t he scr een
(under flow)
Each solids subst r eam must have a par t icle size dist r ibut ion at t r ibut e.
Speci fyi ng Screen
Use t he Input Specificat ions sheet t o ent er :
• Scr een size opening
• Oper at ing level (Upper or Lower )
• Oper at ing mode (Wet or Dr y)
• Ent r ainment s
8-20 Unit Oper at ion Models
Ver sion 10
Solids
You can also use t he Input Select ionFunct ion sheet t o ent er t he following
funct ions:
• Select ion funct ion ( S
i
) (opt ional)
• Separ at ion st r engt h (opt ional)
Use t he following for ms t o ent er specificat ions and view r esult s for Scr een:
Use this form To do this
Input Specify screen parameters, operating conditions, and user-specified screen
separation strength and selection functions
BlockOptions Override global values for physical properties, simulation options, diagnostic
message levels, and report options for this block
Results View summary of Screen results and material and energy balances
Upper and Lower Level Screens
You can specify t he oper at ing level as Upper or Lower . The most efficient
configur at ion is a mult iple-deck scr een wit h a ser ies of Scr een blocks. The inlet
st r eam is fed over t he upper level scr een. The under flow fr om t he upper level
scr eens is fed over t he lower level scr eens. Scr een uses differ ent cor r elat ions for
upper and lower level scr eens.
Scr een calculat es t he flow r at e of t he scr een over flow st r eam as:
F S F
o i
i
ij
j
·
∑ ∑
Wher e:
S
i
= Select ion funct ion. The fr act ion of feed par t icles in size r ange
i t hat passes over t he scr een int o t he over flow pr oduct
F
ij
= Flow r at e of feed in size r ange i and par t icle size dist r ibut ion
at t r ibut e j
Selecti on Functi on and Separati on Strength
Scr een calculat es t he select ion funct ion for a cer t ain size int er val as:
( )
[ ]
S
A d S
for d S
i
p o
p o
·

<
1
1 exp
S for d S
i p o
· ≥ 1
Unit Oper at ion Models 8-21
Ver sion 10
Chapter 8
Wher e:
d
p
= Par t icle diamet er
S
o
= Size of scr een opening
A = Separ at ion st r engt h
The default value of t he scr een separ at ion st r engt h, A, is a funct ion of t he size of
t he scr een opening. Scr een has four built -in funct ions (U.S. Bur eau of Mines,
1977)
1
for all possible combinat ions of scr een t ypes (see the table, Screen Separation
Strength/Screen Size Correlation):
• Upper level dr y
• Lower level dr y
• Upper level wet
• Lower level wet
You can ent er your own separ at ion st r engt h value, separ at ion st r engt h cor r elat ion
or select ion funct ion cor r elat ion on t he Input Select ionFunct ion sheet . Scr een t hen
uses t hese select ion funct ion values for it s mass balance calculat ion.
Screen Separation Strength/Screen Size Correlation
Size of screen
opening (m) Dry, upper level Dry, lower level Wet, upper level Wet, lower level
0.457 60 60 60 60
0.152 20 20 20 20
0.038 8 8 9 9
0.0095 8 6 8.5 6.6
0.00635 5 4 5.5 4.5
0.00236 3 2 3.5 2.3
0.00059 0.7 0.7 0.8 0.8
0.00042 0.6 0.6 0.7 0.7
0.000295 0.5 0.5 0.55 0.55
Separati on Effi ci ency
The separ at ion efficiency of t he scr een is calculat ed as t he r at io of t he mass flow
r at e of t he under flow t o t he fr act ion of t he feed flow r at e cont aining par t icles
smaller t han t he scr een openings.
8-22 Unit Oper at ion Models
Ver sion 10
Solids
References
Computer S imulation of Coal Preparation Plants, U.S. Bur eau of Mines, Gr ant
No. GO-155030, Final Repor t August (1977).
Unit Oper at ion Models 8-23
Ver sion 10
Chapter 8
FabFl
Fabric Filter
FabFl is a gas-solids separ at or model used t o separ at e an inlet gas st r eam
cont aining solids int o a solids st r eam and a gas st r eam car r ying t he r esidual
solids. Use FabFl t o simulat e or design baghouse unit s in which solid par t icles
ar e separ at ed fr om t he inlet gas st r eam. A baghouse consist s of a number of cells
in which ver t ically-mount ed cylindr ical fabr ic filt er bags oper at e in par allel.
You can use FabFl t o r at e or size baghouses.
Flowsheet Connecti vi ty for FabFl
Feed
Gas (overflow)
Solids (underflow)
Materi al Streams
Inlet One mat er ial st r eam wit h at least one solids subst r eam
Outlet One over flow st r eam for t he cleaned gas
One under flow st r eam for t he solids par t icles
Each solids subst r eam must have a par t icle size dist r ibut ion (PSD) at t r ibut e.
Solids may be ent r ained in t he over flow, based on t he separ at ion efficiency.
Speci fyi ng FabFl
Use t he Input Specificat ions sheet t o specify oper at ing condit ions and baghouse
char act er ist ics.
For these calculations Set Mode= And number of cells is
Rating Simulation Specified
Sizing Design Calculated
8-24 Unit Oper at ion Models
Ver sion 10
Solids
For sizing or r at ing calculat ions:
If you enter FabFl calculates
Maximum allowable pressure drop Filtration time
Filtration time Pressure drop
Use t he following for ms t o ent er specificat ions and view r esult s for FabFl:
Use this form To do this
Input Enter operating conditions, baghouse characteristics, and separation
efficiency
BlockOptions Override global values for physical properties, simulation options,
diagnostic message levels, and report options for this block
Results View summary of FabFl results and material and energy balances
Operating Ranges
FabFl uses empir ical models because no t heor et ical models exist . Expect unr eliable
r esult s when oper at ing condit ions exceed t he r anges of t he exper iment al dat a on
which t he models ar e based. Your dat a should fall wit hin t hese r anges:
• Diamet er of solid par t icles bet ween 10
7 −
t o 10
4 −
m (0.1 t o 100 micr omet er s)
• Maximum gas velocit y t hr ough t he clot h bet ween 0.1 and 0.2 m/s (20 t o 40
ft /min)
Filtering Time
When r at ing fabr ic filt er s, FabFl calculat es t he filt er ing t ime t as:
t
P P
CKV
f i
o
·
− ∆ ∆
2
Wher e:
f
P ∆
= Final pr essur e dr op acr oss collect ed dust and filt er clot h
i
P ∆
= Pr essur e dr op of t he clean bag
C = Dust concent r at ion
K = Dust r esist ance coefficient
o
V
= Air t o clot h r at io (gas velocit y t hr ough t he clot h)
Unit Oper at ion Models 8-25
Ver sion 10
Chapter 8
The air t o clot h r at io V
o
is:
V
Q
N N A N
o
cell shake bag bag
·
− ( )
Wher e:
Q = Volumet r ic flow r at e of t he gas
N
cell
= Number of cells
N
shake
= Number of cells being cleaned
A
bag
= Tot al filt er sur face of all bags
N
bag
= Number of bags per cell
Resistance Coefficient
The r esist ance coefficient K depends on t he par t icle size and nat ur e of solid
par t icles. In an indust r ial-scale baghouse, t he r esist ance coefficient also var ies
wit h t ime and bag posit ion. If specific r esist ance coefficient s ar e not available,
t he following values can be used as r ough est imat es
1
:
Dust particle diameter
( 10
6 −
m)
Resistance coefficients
[Pa/(kg/m
2
) (m/s)]
Less than 20 300,000
20 to 90 60,000
Greater than 90 15,000
These coefficient s wer e det er mined fr om a small fabr ic filt er . The filt er has an air
flow of 2 ft
3
/ min t hr ough 0.2 ft
2
of clot h ar ea (a filt er ing gas velocit y of 10
ft /min). The pr essur e dr op acr oss t he bag and dust was 8 inches of H O
2
.
An appr oximat ion for t he r esist ance coefficient
2
is:
K
d
p
·
1000
2
Wher e:
d
p
= The aver age par t icle size in micr ons
The unit s for K ar e (inches of water)/ (lbs dust/ ft
2
of area)(ft/ min velocity).
8-26 Unit Oper at ion Models
Ver sion 10
Solids
Separation Efficiency
The over all separ at ion efficiency of t he baghouse is:
η
η
o
j i
ij ij
S
Total inlet flow rate of solids
flow rate of solids removed from the inlet
total inlet flow rate of solids
· ·
∑ ∑
Wher e:
S
ij
= Flow r at e of solid j in size incr ement i
In FabFl, t he separ at ion efficiency is a funct ion of t he par t icle diamet er of t he
solids. For lar ge par t icles (gr eat er t han 10 micr omet er s in diamet er ), fr act ional
collect ion efficiency ( ) η
i
is 1.0. For par t icles smaller t han 10 micr omet er s,
efficiency decr eases r apidly.
η
i
When
1.0 ( ) d m
p av
>10 µ
0.0011 ( ) d
p av
+ 0.989 1 10 µ µ m (d
p
< < )
av
m
0.495 ( ) d
p av
+ 0.495 ( ) d
p av
<1µm
You also can ent er efficiency as a funct ion of par t icle sizes on t he Input Efficiency
sheet t o over r ide t he built -in cor r elat ions.
References
1. Air Pollution Engineering Manual, Public Healt h Ser vice Publicat ion No. 999-
AP-40, pp. 106-135, Washingt on D.C., DHEW (1967).
2. Billings, C.E. and Wilder , J ., Handbook of Fabric Filter Technology, Vol. I,
NIIS PB 200648.
Unit Oper at ion Models 8-27
Ver sion 10
Chapter 8
Cyclone
Cyclone Separator
Cyclone separ at es an inlet gas st r eam cont aining solids int o a solids st r eam and a
gas st r eam car r ying t he r esidual solids.
Use Cyclone t o simulat e cyclone separ at or s in which solid par t icles ar e r emoved by
t he cent r ifugal for ce of a gas vor t ex. You can use Cyclone t o size or r at e cyclone
separ at or s. In simulat ion mode, Cyclone calculat es t he separ at ion efficiency and
pr essur e dr op fr om a user -specified cyclone diamet er .
In design mode, t he cyclone geomet r y is calculat ed t o meet t he user -specified
separ at ion efficiencies and maximum pr essur e dr op. In bot h calculat ion modes,
t he par t icle size dist r ibut ions of t he out let solids st r eams ar e det er mined.
Flowsheet Connecti vi ty for Cyclone
Feed
Gas
Solids
Materi al Streams
Inlet One mat er ial st r eam wit h at least one solids subst r eam
Outlet One st r eam for t he cleaned gas
One st r eam for t he solids
Each solids subst r eam must have a par t icle size dist r ibut ion (PSD) at t r ibut e.
8-28 Unit Oper at ion Models
Ver sion 10
Solids
Speci fyi ng Cyclone
Use t he Input Specificat ions sheet t o specify t he t ype of cyclone and oper at ing
condit ions.
Use t he Input Dimensions sheet t o ent er cyclone dimensions, or use t he Input
Rat ios sheet t o ent er r at ios of cyclone dimensions.
To perform
these calculations Specify Cyclone calculates
Rating Simulation mode
Cyclone Diameter
Number of Cyclones
Separation efficiency
Pressure drop
Sizing Design mode
Separation Efficiency
Maximum Pressure
Drop (optional)
Maximum Number of
Cyclones (optional)
Cyclone diameter
Number of cyclones
For r at ing calculat ions, if you specify Type=User -Specified or User -Specified
Rat ios, you can specify cyclone dimensions on t he Input Dimensions or Input
Rat ios sheet s.
For design calculat ions, you must also ent er t he Maximum Number of Cyclones
in par allel. If eit her of t he following occur s, Cyclone calculat es t he number of
cyclones in par allel:
• The efficiency of a single cyclone is less t han t he r equir ed separ at ion efficiency.
• The calculat ed pr essur e dr op exceeds t he maximum pr essur e dr op specified.
Use t he following for ms t o ent er specificat ions and view r esult s for Cyclone:
Use this form To do this
Input Enter cyclone specifications, dimensions, dimension ratios, separation efficiencies,
and solids loading
BlockOptions Override global values for physical properties, simulation options, diagnostic
message levels, and report options for this block
Results View summary of Cyclone results and material and energy balances
Unit Oper at ion Models 8-29
Ver sion 10
Chapter 8
Separation Efficiency
The over all separ at ion efficiency is:
η
m
flow rate of solids removed from the inlet
total inlet flow rate of solids
·
η
m
o i
o
o o
o o o o
C C
C
Q C E
Q C
E
Q C
·

·

· − 1
Wher e:
C
o
= Concent r at ion of solids in inlet gas
C
i
= Concent r at ion of solids in out let cleaned gas
Q
o
= Inlet gas flow r at e
E = Out let emission r at e of solids in t he cleaned gas
Cyclone at t ains higher separ at ion efficiencies wit h par t icles t hat ar e 5 t o 10
micr ons or gr eat er in diamet er . For par t icles smaller t han 5 micr ons, Cyclone
efficiency decr eases. Even wit h lar ge par t icles, it is difficult t o obt ain a collect ion
efficiency great er t han 95%.
If you ent er a design efficiency higher t han 95%, use eit her :
• Mult i-st age cyclones
• Cyclone as a pr ecleaner , followed by ot her collect or s
You can specify t he Efficiency Cor r elat ion field on t he Input Specificat ions sheet . If
Efficiency Cor r elat ion=User -Specified, you can ent er efficiency as a funct ion of
par t icle sizes on t he Input Efficiency sheet .
Operating Ranges
Cyclone uses cor r elat ions t hat ar e semi-empir ical models. Do not expect
sat isfact or y accur acy when t he specified condit ions exceed t he r anges of
exper iment al dat a fr om which t he models wer e developed. In gener al, t he pr essur e
dr op should be less t han 2500 N / m
2
(10 inches of H O
2
). The oper at ing pr essur e
should not exceed at mospher ic pr essur e. The inlet gas velocit y should be in t he
range of 15 t o 27 m/s (50 t o 90 ft /s).
The Leit h and Licht efficiency cor r elat ion is accur at e for inlet velocit ies
appr oximat ely 25 m/s (80 ft /s). The cor r elat ion over est imat es t he separ at ion
efficiency at high velocit ies.
8-30 Unit Oper at ion Models
Ver sion 10
Solids
The Shepher d and Lapple cor r elat ion is accur at e for par t icle sizes of 5 t o 200
micr ons. This cor r elat ion t ends t o over est imat e t he efficiency of lar ge par t icles
(gr eat er t han 200 micr ons). The Shepher d and Lapple cor r elat ion also
under est imat es t he efficiency of fine par t icles (smaller t han 5 micr ons).
Pressure Drop
Cyclone calculat es t he pr essur e dr op (Shepherd and Lapple, 1939)
1
as:
∆P U N
f t h
· 0.0030 ρ
2
Wher e:
ρ
f
= Densit y of t he fluid
U
t
= Inlet gas velocit y
N
h
= Inlet velocit y speeds
Use t he Input SolidsLoading sheet t o ent er values t o cor r ect for solids loading.
The inlet velocit y speed, N
h
, is:
N K
ab
D
k
e
·
2
Wher e:
K = Dimensionless r at io
a = Inlet height of t he cyclone
b = Inlet widt h of t he cyclone
D
e
= Out let diamet er of t he cyclone
The dimensionless r at io K is:
c
nl s
abD
V V
K
) 2 / ( 8 +
·
Where:
V
s
= Annular shaped volume above t he exit duct t o midlevel of
t he ent r ance duct
V
nl
= Effect ive volume of t he cyclone calculat ed by nat ur al lengt h l
D
c
= Body diamet er of t he cyclone
Unit Oper at ion Models 8-31
Ver sion 10
Chapter 8
The annular shaped volume V
s
above t he exit duct t o midlevel of t he ent rance duct is:
V
s a D D
s
c e
·
− − π( / ) ( ) 2
4
2 2
Cyclone Diameter
Cyclone calculat es t he diamet er of t he body of t he cyclone D
c
as:
D
b D
a D b D
c
f
p f
c
c c
·

×

¸

1
]
1
1
0.0502
Q
(
2
ρ
µ ρ ρ )
( / )
( / ) ( / )
.
.
1
2 2
0 454
Where:
Q
= Over flow gas flow r at e
ρ
f
= Densit y of t he fluid
µ
= Viscosit y of gas fluid
ρ
p
= Densit y of t he par t icles
In t his empir ical equat ion, unit s ar e:
Unit type Unit
Length Feet
Mass Pounds
Time Seconds
Dimension Ratios
Use t he Input Dimensions sheet t o ent er t he dimensions of a cyclone when
Mode=Simulat ion and Type=User -Specified. If you specify Type=User -Specified
Rat ios, you can use t he Input Rat ios sheet t o ent er dimension r at ios (dimension /
cyclone diamet er ) for a cyclone.
8-32 Unit Oper at ion Models
Ver sion 10
Solids
The dimension r at ios and some default values of t he t wo built -in configur at ions
ar e:
Dimension ratio (dimension/cyclone diameter) Type = High efficiency Type = Medium efficiency
Cyclone diameter 1.0 1.0
Inlet height 0.5 0.75
Inlet width 0.2 0.375
Length of overflow 0.5 0.875
Diameter of overflow 0.5 0.75
Length of cone section 1.5 1.50
Overall length 4.0 4.0
Diameter of underflow 0.375 0.375
Number of gas turn in cyclone 7.0 4.0
Maximum diameter (m) 1.5 5.0
Minimum diameter (m) 0.1 0.1
Cyclone calculat es t he dimensions of t he built -in cyclones using t hese r at ios and
t he cyclone diamet er you specify. The built -in configur at ions (Type=High or
Medium) may not be t he best designs. It is r ecommended t hat you ent er
dimensions or dimension r at ios, if available.
Vane Constant
Use t he Vane Const ant field on t he Input Specificat ions sheet t o specify t he vane
const ant . The vane const ant var ies wit h t he configur at ion of t he inlet duct . In t he
common configur at ion, t he inlet duct t er minat es at t he wall of t he cyclone. The
vane const ant is 16. To r educe fr ict ion loss, ext end t he duct int o t he int er ior of t he
cyclone. When t he duct is in t he middle of t he cyclone separ at or , t he vane const ant
is 7.5.
Cyclone Dimensions
The next figur e shows t he Cyclone geomet r y. The t able following t he figur e shows
t he Cyclone dimensions.
Unit Oper at ion Models 8-33
Ver sion 10
Chapter 8
a
D
e
D
c
b
s
h
H
B
Cyclone Geometry
The Cyclone design configur at ions ar e:
Term Description High efficiency High throughput
D
c
Body diameter 1.0 1.0
a Inlet height 0.5 0.75
b Inlet width 0.2 0.375
s Outlet length 0.5 0.875
D
e
Outlet diameter 0.5 0.75
h Cylinder height 1.5 1.50
H Overall height 4.0 4.0
B Dust outlet diameter 0.375 0.375
8-34 Unit Oper at ion Models
Ver sion 10
Solids
Solids Loading Correction
The feed concent r at ion of solids affect s t he separ at ion efficiency. Concent r at ion
higher t han 1 0
3
. gm m usually leads t o higher efficiency. Smolik (1975)
2, 3
pr esent ed t he following r elat ionship bet ween t he efficiency and solids
concent r at ion:
1
1


·
¸
¸

_
,

E
E
c
c
T
T
a
* *
Wher e:
c
*
=
"Low loading" solids concent r at ion, 1.0 gm/ m
3
c = Solids concent r at ion
E
T
*
= Tot al efficiency
E
T
= "Low loading" t ot al efficiency
α = Exponent
Smolik gives values of α · 0.182. This for m can only ser ve as a guide, because t he
effect of dust concent r at ion depends on t he nat ur e of t he solids, t he humidit y of t he
gas, and many ot her fact or s t hat do not figur e in t he exist ing cor r elat ions.
The act ual pr essur e dr ops wit h dust -laden gases ar e nor mally lower t han t hose
obt ained wit h clean gas. Smolik gives an empir ical cor r elat ion for t he effect of
feed concent r at ion on pr essur e in t he for m:


p
p
c
*
· − 1 β
γ
Wher e:
c =
Solids concent r at ion in t he feed, g / m
3
∆p * = Pr essur e dr op
∆p = Pr essur e dr op wit h clean gas
β γ , = Const ant s depending on t he mat er ial
Smolik gives values of β γ · 0.02 and 0.6.
Unit Oper at ion Models 8-35
Ver sion 10
Chapter 8
References
1. Shepher d, G.B. and Lapple, C.E., "Flow Pat t er n and Pr essur e Dr op in
Cyclone Dust Collect or s," Industrial and Engineering Chemistry, 31, pp. 972-
984 (1939).
2. Smolik, J . et al., Air Pollut ion Abat ement , Par t I. Scr ipt um No. 401-2099 (in
Czech). Technical Univer sit y of Pr ague (1975). Quot ed by Svar ovsky, L.,
"Solid-Gas Separ at ion," Handbook of Powder Technology, Williams, J .C. and
Allen, T. (Eds.), Amst er dam: Elsevier , 1981.
3. Svar ovsky, L., S olid-Gas S eparation, Chapt er 3, New Yor k: Elsevier , 1981.
8-36 Unit Oper at ion Models
Ver sion 10
Solids
VScrub
Venturi Scrubber
Use VScr ub t o simulat e vent ur i scr ubber s.
Vent ur i scr ubber s r emove solid par t icles fr om a gas st r eam by dir ect cont act wit h
an at omized liquid st r eam.
You can use VScr ub t o r at e or size vent ur i scr ubber s.
Flowsheet Connecti vi ty for VScrub
Gas
Liquid
Feed Gas
with Solids
Liquid and
Solids
Materi al Streams
Inlet One st r eam for solids wit h at least one solids subst r eam
One st r eam for t he at omized liquid
Outlet One st r eam for t he cleaned gas
One st r eam for t he liquid wit h solid par t icles
Unit Oper at ion Models 8-37
Ver sion 10
Chapter 8
Speci fyi ng VScrub
Use t he VScr ub Input Specificat ions sheet t o specify oper at ing condit ions and
par amet er s for sizing or r at ing calculat ions.
To perform these
calculations Set Mode = Enter scrubber VScrub calculates
Rating Simulation Throat Diameter
Throat Length
Separation efficiency
Pressure drop
Sizing

Design Separation efficiency Liquid flow rate
Throat diameter
Throat length
Pressure drop

Beca use t he r equi r ed l i qui d fl ow r a t e i s va r i ed t o meet t he effi ci ency, t he ma t er i a l ba l a nce i s
not satisfied i f t he ca l cul a t ed l i qui d fl ow r a t e i s d i ffer ent fr om t he r a t e you ent er .
In bot h modes, VScr ub also calculat es t he par t icle size dist r ibut ions of t he solids in
t he out let st r eams.
VScr ub assumes t hat t he liquid st r eam is int r oduced befor e or at t he beginning of
t he scr ubber t hr oat . It also assumes t he separ at ion of t he solid par t icles fr om t he
gas st r eam occur s only at t he scr ubber t hr oat .
Use t he following for ms t o ent er specificat ions and view r esult s for VScr ub:
Use this form To do this
Input Specify operating parameters and throat operating conditions
Block Options Override global values for physical properties, simulation options, diagnostic
message levels, and report options for this block
Results View summary of VScrub results and material and energy balances
8-38 Unit Oper at ion Models
Ver sion 10
Solids
Pressure Drop
VScr ub calculat es t he pr essur e dr op (Yung, S. et al., 1977)
1
∆ p acr oss t he t hr oat of
t he scr ubber as:
( )
∆p
V
g
Q
Q
x x x
l t
c
l
g
·
¸
¸

_
,

− + −
2
1
2
2 4 2
ρ
Wher e:
ρ
l
= Densit y of t he liquid
V
t
= Relat ive velocit y of gas t o liquid at t he t hr oat
g
c
= Conver sion fact or in Newt on’s law of mot ion
Q
Q
l
g
= Liquid t o gas volume flow r at e
x = Dimensionless t hr oat lengt h defined by:
x
l C
D
t D g
d l
· +
3
16
1
ρ
ρ
Wher e:
l
t
= Thr oat lengt h
C
D
= Dr ag coefficient , as a funct ion of t he Reynolds number
(Dickinson and Marshall, 1968)
2
N
Re
.
C
N
N
D
· + + . ( . )
.
22
24
1 015
0 6
Re
Re
ρ
g
= Densit y of t he gas
ρ
l
= Densit y of t he liquid
D
d
= Dr op diamet er (Saut er mean), defined by (Nukiyama, S.,
Tanasawa, Y. 1939)
3
:
585
597
1000
0 5
0 45 1 5
V
Q
Q
t
l
l
l
l l
l
g
σ
ρ
µ
σ ρ
¸
¸

_
,
+

¸

1
]
1
1

¸

1
]
1
1
.
. .
Wher e:
σ
l
= Sur face t ension
µ
l
= Viscosit y of liquid
Unit Oper at ion Models 8-39
Ver sion 10
Chapter 8
Separation Efficiency
The separ at ion efficiency (Yung, S., et al., 1978)
4
η
o
is defined as:
η
o
Mass flow rate of particles in outlet liquid stream
Mass flow rate of particles in inlet gas stream
·
·

S
Total inlet flow rate of solids
i i
η
Wher e:
η
i
= Efficiency for size incr ement i
S
i
= Mass flow r at e of size incr ement i
References
1. Yung, S. et al., J ournal of the Air Pollution Control Association , 27, 348
(1977).
2. Dickinson, D.R. and Mar shall, W.R., AIChE J ournal, 14, 541, (1968).
3. Nukiyama, S. and Tanasawa, Y., Transcripts of the S ociety of Mechanical
Engineers (J apan), 5, 63 (1939).
4. Yung, S. et al., Environmental S cience and Technology, 12, 456 (1978).
8-40 Unit Oper at ion Models
Ver sion 10
Solids
ESP
Electrostati c Preci pi tator
Use ESP t o simulat e dr y elect r ost at ic pr ecipit at or s.
Dr y elect r ost at ic pr ecipit at or s separ at e solids fr om a gaseous st r eam.
Elect r ost at ic pr ecipit at or s have ver t ically mount ed collect ing plat es wit h
dischar ge wir es. The wir es ar e par allel and posit ioned midway bet ween t he
plat es.
The cor ona dischar ge of t he high-volt age wir e elect r odes fir st char ges t he solid
par t icles in t he inlet gas st r eam. Then t he elect r ost at ic field of t he collect ing
plat e elect r odes r emoves t he solids fr om t he gas st r eam.
You can use ESP t o size or r at e elect r ost at ic pr ecipit at or s.
Flowsheet Connecti vi ty for ESP
Feed
Gas
Solids
Materi al Streams
Inlet One mat er ial st r eam wit h at least one solids subst r eam
Outlet One mat er ial st r eam for t he cleaned gas
One mat er ial st r eam for t he solids
Each solids subst r eam must have a par t icle size dist r ibut ion (PSD) at t r ibut e.
Unit Oper at ion Models 8-41
Ver sion 10
Chapter 8
Speci fyi ng ESP
Use t he Input Specificat ions sheet t o specify par amet er s for sizing or r at ing
calculat ions.
To perform these
calculations Set Mode= Enter ESP calculates
Rating Simulation Number of plates
Plate height
Plate length
Separation efficiency
Power required
Corona voltage
Pressure drop
Precipitator width
Sizing Design Separation efficiency Number of plates
Precipitator dimensions
Power required
Pressure drop
You can specify maximum dimensions for sizing calculat ions on t he Input
Specificat ions sheet .
Use t he following for ms t o ent er specificat ions and view r esult s for ESP:
Use this form To do this
Input Specify operating parameters and dielectric constants and precipitator
dimensions
BlockOptions Override global values for physical properties, simulation options, diagnostic
message levels, and report options for this block
Results View summary of ESP results and material and energy balances
Operating Ranges
The velocit y of gas should be bet ween 1 and 2.5 m/sec (for plat e spacing 200 and
300 mm). If t he gas velocit y is lar ger t han 3 m/s or less t han 0.5 m/s, t hen t he
models for efficiency and pr essur e dr op ar e not valid. This is because t he t r anspor t
of fine par t icles by t ur bulent diffusion may become mor e significant t han t r anspor t
by elect r ost at ic for ce.
ESP models wir e-and-plat e pr ecipit at or s wit h r elat ively high dust concent r at ion
( ). ≥ 10
11
particles / m or 0.1 kg / m
3 3
If t he par t icle concent r at ion is t oo low, ESP
may over est imat e t he r esult s. ESP is not suit able for a cylindr ical elect r ost at ic
pr ecipit at or .
8-42 Unit Oper at ion Models
Ver sion 10
Solids
Separati on Effi ci ency
The separ at ion efficiency is defined as (Cr awfor d, M. 1976)
1
:
η
ov
Mass outlet flow rate of solids
Total mass flow rate of the inlet solids substream
·
η
πµ
ov
nvs
nvo
s ps c
C
C
X L q E C
dWV
· −

¸

1
]
1
1
3
exp
( )
Wher e:
C
nvs
= Par t icle concent r at ion at X
s
C
nvo
= Par t icle concent r at ion at inlet
X
s
= Point at which all par t icles have acquir ed a sat ur at ion char ge
L
= Plat e lengt h
q
ps = Par t icle sat ur at ion char ge
E
c
= Collect ing field st r engt h ( . ( )) · 0 25 E
o
C
= Conningham cor r ect ion fact or
µ
= Viscosit y of t he gas
d
= Par t icle diamet er
W
= Dist ance bet ween wir es and plat es
V
= Act ual gas velocit y t hr ough t he pr ecipit at or
The point at which all par t icles have acquir ed a sat ur at ion char ge X
s
, is defined
as:
X
dW s V C C
E C E Ws E r
s
w nvo nvs
o c c w
·


µ
ε
2
0 0
0332 08
( )
. ( . )
Wher e:
s
w
= Dist ance bet ween t wo wir es
ε
o
=
Elect r ic per missivit y const ant ·

8 85 10
12
. x c / vm
E
o
= Cor ona field st r engt h
2
r
o
= Cor ona r adius
Unit Oper at ion Models 8-43
Ver sion 10
Chapter 8
The collect ing field st r engt h E
c
, is defined as:
E V f
T P
TP
T P
TP r
c B
o
o
o
o o
· +
¸
¸

_
,

¸

1
]
1
1

0 25 0 03 . .
Where:
V
B
= Br eakdown volt age
f
= Roughness fact or of wir e
T
o
= At mospher ic t emper at ur e
P
o
= At mospher ic pr essur e
T
= Temper at ur e
P
= Pr essur e
The par t icle concent r at ion at t he point wher e t he par t icles fir st have sat ur at ion
charge, C
nvs
is:
C
k
kd
E Ws E r
Ws E E r Ws r
nvs
c w o o
w c o o w o
·
+ −
+ −
0 212 2 08
0 427 2 0533
2
. ( ) .
. ( . )
Wher e:
k
= Dielect r ic const ant ( / ) · ε ε
o
The par t icle sat ur at ion char ge, q
ps
is:
q
k d
k
E
E r
Ws
r
Ws
ps
o
c
o o
w
o
w
·
+
+ −
¸
¸

_
,

¸

1
]
1
1
3
2
2
3
2 5 2
3
125
2
πε . .
Pressure Drop
ESP calculat es t he pr essur e dr op acr oss t he pr ecipit at or as:
∆p V
g g
· 45 5
2
. ρ
Wher e:
ρ
g = Gas densit y
V
g = Gas velocit y
8-44 Unit Oper at ion Models
Ver sion 10
Solids
Required Power
The power r equir ed
2
P
w
t o meet a specified separ at ion efficiency is:
P Q
w ov
· − 52 75 1 . ln( ) η
Wher e:
Q
= Volumet r ic gas flow r at e
Gas Veloci ty
The models used in ESP ar e valid for inlet gas velocit ies r anging fr om 0.5 t o 3
m/s. Out side t his r ange, t r anspor t by t ur bulent diffusion becomes mor e
significant t han by elect r ost at ic for ce and lar ge er r or s should be expect ed.
Parti cle Di ameter
You can use ESP t o model t he separ at ion of fine par t icles wit h diamet er s r anging
fr om 0.01 t o 10 micr ons. ESP is accur at e when t he inlet par t icle concent r at ion is
high ( ). ≥ 10
11
particles / m or 0.1 kg / m
3 3
If t he concent r at ion is t oo low, t he model
t ends t o over est imat e t he separ at ion efficiency.
References
1. Cr awfor d, M., Air Pollution Control Theory, Chapt er 8: Elect r ost at ic
Pr ecipit at ion, pp. 298-358. New Yor k: McGr aw-Hill, 1976.
2. Whit e, H.J ., Industrial Electrostatic Precipitation, 204, pp. 91-92 (1963).
Unit Oper at ion Models 8-45
Ver sion 10
Chapter 8
HyCyc
Hydrocyclone Solids Separator
Use HyCyc t o simulat e hydr ocyclones. Hydr ocyclones separ at e solids fr om t he inlet
liquid st r eam by t he cent r ifugal for ce of a liquid vor t ex.
You can use HyCyc t o r at e or size hydr ocyclones. In simulat ion mode (r at ing),
HyCyc calculat es t he par t icle diamet er wit h 50% separ at ion efficiency fr om t he
user -specified hydr ocyclone diamet er . In design mode (sizing), HyCyc det er mines
t he hydr ocyclone diamet er r equir ed t o achieve t he user -specified separ at ion
efficiency of t he solids wit h t he desir ed par t icle size.
In bot h calculat ion modes, pr essur e dr op and t he par t icle size dist r ibut ion of t he
out let solids st r eams ar e det er mined.
Flowsheet Connecti vi ty for HyCyc
Feed
Liquid
Solids
Materi al Streams
Inlet One liquid st r eam wit h at least one solids subst r eam
Outlet One st r eam for t he cleaned liquid wit h r esidual solids
One st r eam for solids
Each inlet solids subst r eam must have a par t icle size dist r ibut ion (PSD)
at t r ibut e.
8-46 Unit Oper at ion Models
Ver sion 10
Solids
Speci fyi ng HyCyc
Use t he Input Specificat ions sheet t o specify hydr ocyclone oper at ing condit ions.
To perform these calculations Enter HyCyc calculates
Rating Simulation Mode
Hydrocyclone Diameter
Separation efficiency
Particle diameter with 50% separation
efficiency
Pressure drop, particle size distribution of
outlet solids stream
Sizing Design Mode
Separation Efficiency
Hydrocyclone diameter
Pressure drop, particle size
distribution of outlet solids stream
To obt ain pr act ical dimensions when sizing hydr ocyclones, ent er t he:
• Maximum diamet er of t he hydr ocyclone
• Maximum pr essur e dr op allowed acr oss t he hydr ocyclone
HyCyc designs mult iple hydr ocyclones in par allel if one of t he following condit ions
exist s:
• The calculat ed diamet er is gr eat er t han t he maximum specified diamet er .
• The calculat ed pr essur e dr op is gr eat er t han t he maximum specified pr essur e
dr op.
Use t he following for ms t o ent er specificat ions and view r esult s for HyCyc:
Use this form To do this
Input Specify simulation parameters, dimensions, tangential velocity correlation
parameters, and separation efficiency
BlockOptions Override global values for physical properties, simulation options, diagnostic
message levels, and report options for this block
Results View summary of HyCyc results and material and energy balances
Operating Ranges
HyCyc uses empir ical and semi-empir ical cor r elat ions. Expect unr eliable r esult s
when oper at ing condit ions (Br adley, D., 1965)
1
ar e out side t he r anges of
exper iment al dat a on which t he models ar e based. In gener al, your dat a should fall
wit hin t hese r anges:
• Par t icle diamet er bet ween and (5 t o 200 micr omet er s)
• Hydr ocyclone diamet er bet ween 0.01 and 0.6 m
• Pr essur e dr op bet ween 35 and 345 kPa
• Separ at ion efficiency bet ween 2% and 98%
Unit Oper at ion Models 8-47
Ver sion 10
Chapter 8
The solids concent r at ion should be less t han 11% of t he volume fr act ion, or less
t han 25% of t he weight fr act ion.
Separation Efficiency
Separ at ion efficiency E is defined as:
E
mass underflow rate of solids
mass feedflow rate of solids
·
Reduced efficiency E′ is defined as t he fr act ion of feed solids t hat go t o t he
under flow minus t he fr act ion of t he feed liquid t hat also goes t o t he under flow.
′ ·


E
E R
R
f
f
1
Wher e R
f
is t he volumet r ic r at io of under flow t o feed flow (see Mat er ial Split ,
t his chapt er ).
The r educed efficiency is obt ained fr om t he following equat ion
2
:
′ · − − −
¸
¸

_
,

¸

1
]
1
1
¹
'
¹
¹
¹
¹
;
¹
¹
¹
E
d
d
100 1 0115
50
3
exp .
Wher e:
d = Diamet er of t he solid par t icles t o be separ at ed
d
50
= Par t icle diamet er for which 50% of feed passes t hr ough under flow
In t ur n,
50
d is obt ained fr om t he following equat ion which includes oper at ional
and geomet r ic par amet er s (Br adley, D., 1965)
1
:
d D
D
D R
Q
c
i
n
c f
50
2
0 5
3 0 38
1
2
·


¹
'
¹
¹
;
¹
( . )
( )
( )
tan
.
α
µ
σ ρ
θ
8-48 Unit Oper at ion Models
Ver sion 10
Solids
Wher e:
Q = Volumet r ic flow r at e at inlet
D
c
= Chamber diamet er
D
i
= Inlet diamet er
n = Power of R in t he t angent ial velocit y dist r ibut ion funct ion
α = Inlet velocit y loss coefficient
σ = Densit y of solid
R
f
= Under flow r at e/feed r at e
θ = Cone angle
ρ = Densit y of liquid
µ = Viscosit y of liquid
Material Split
HyCyc split s t he feed accor ding t o t he following empir ical cor r elat ion (Moder , J .M.
and Dahlst r om, D.A., 1952)
3
:
S
D
D
Q
u
o
·

β ( )
. . 4 4 44
Wher e:
S = Volume split = under flow r at e/over flow r at e
β = A const ant , 6.13
D
u
= Diamet er for under flow
D
o
= Diamet er for over flow
Q = Inlet volumet r ic flow r at e (gal/min)
Unit Oper at ion Models 8-49
Ver sion 10
Chapter 8
The flow r at io
f
R

(under flow r at e/feed r at e) is t hen obt ained by:
1
1
1
− ·
+
R
S
f
Tangential Velocity
The following empir ical cor r elat ion gives t he t angent ial velocit y V (Dahlst r om,
D.A., 1954)
4
in a hydr ocyclone at a r adius R:
VR constant V
D
n
i
c
n
· ·
¸
¸

_
,
α
2
Wher e:
α = Inlet velocit y loss coefficient
V
i
= Inlet velocit y
D
c
= Diamet er of t he hydr ocyclone
n = Exponent of r adial dependence
R = Radius
For most cases, α and n ar e det er mined exper iment ally t o be 0.45 and 0.8. These
t wo var iables ar e t hen used t o det er mine d
50
.
Di mensi on Rati os
Common hydr ocyclones have t he following r anges of dimension r at ios
(dimension/ chamber diameter):
Inlet diameter: 1/7 to 1/3
Length: 4 to 12
Overflow diameter: 1/8 to 1/2.3
Underflow diameter: 1/10 to 1/5
Cone angle: 9 deg. to 20 deg.
8-50 Unit Oper at ion Models
Ver sion 10
Solids
Pressure Drop
For t he pr essur e dr op cor r elat ion t o be valid (over flow diamet er /under flow
diamet er ) should be 0.6 t o 2.0. HyCyc uses t he empir ical pr essur e dr op
cor r elat ion (Dahlst r om, D.A., 1954)
4
:
Q
H
D D
o i 0 5
0 9
6 38
.
.
. ( ) · ×
Wher e:
Q = Volumet r ic flow r at e (US gallons/minut e) at t he inlet
H = Height of fluid (feet ) or lengt h of vor t ex finder
D
o
= Over flow diamet er
D
i
= Inlet diamet er
Hydrocyclone Di mensi ons
The next figur e shows t he HyCyc geomet r y.
Inlet D
i
L
θ
D
o
D
c
D
u
Hydrocyclone Dimensions
Unit Oper at ion Models 8-51
Ver sion 10
Chapter 8
The following t able descr ibes t he HyCyc dimensions.
Term Description
D
c
Chamber diameter
D
i
Inlet diameter
D
o
Overflow diameter
D
u
Underflow diameter
L Length of hydrocyclone
θ Cone angle
References
1. Br adley, D., The Hydrocyclone, 1
st
edit ion., Per gamon Pr ess, London (1965).
2. Yoshioka, H. and Hat t a, Y., Kagaku Kagolar , Chemical Engineering, J apan,
19, 633 (1955).
3. Moder , J .M. and Dahlst r om, D.A., Chemical Engineering Progress, 48,75
(1952).
4. Dahlst r om, D.A., “Miner al Engineer ing Techniques,” Chemical Engineering
Progress S ymposium S eries 50, No. 15, 41 (1954).
8-52 Unit Oper at ion Models
Ver sion 10
Solids
CFuge
Centrifuge Filter
Use CFuge t o simulat e cent r ifuge filt er s. The cent r ifuge filt er s separ at e liquids
and solids by t he cent r ifugal for ce of a r ot at ing basket .
Use CFuge t o r at e or size cent r ifuge filt er s.
CFuge assumes t hat t he separ at ion efficiency of t he solids equals 1, so t hat t he
out let filt r at e st r eam cont ains no r esidual solids.
Flowsheet Connecti vi ty for CFuge
Feed
Liquid
Solids
Materi al Streams
Inlet One mat er ial st r eam wit h at least one solids subst r eam
Outlet One mat er ial st r eam for t he liquid
One mat er ial st r eam for t he solids
If you specify t he par t icle size dist r ibut ion (PSD), CFuge calculat es t he aver age
par t icle size.
Unit Oper at ion Models 8-53
Ver sion 10
Chapter 8
Speci fyi ng CFuge
Use t he Input Specificat ions sheet t o specify oper at ing condit ions and t he Input
Filt er Cake sheet t o specify filt er cake pr oper t ies.
To perform these
calculations Enter CFuge calculates
Rating Diameter
Rate of revolution
Filter cake properties
Filtrate flow rate
Filter cake moisture content
Height of centrifuge basket
Sizing List of centrifuge diameters and rates
of revolution
Filter cake moisture content (CFuge
estimates if not entered)
Filtrate flow rate
Filter cake moisture content
Height of centrifuge basket
For sizing calculat ions, CFuge also calculat es t he liquid-handling capacit ies of all
of t he cent r ifuges you specify. CFuge select s t he cent r ifuge wit h a liquid-handling
capacit y gr eat er t han or equal t o t he r equir ed filt r at e flow r at e. If mor e t han one
cent r ifuge sat isfies t his cr it er ion, CFuge select s t he one wit h t he smallest
capacit y. If none of t he cent r ifuges sat isfies t his cr it er ion, CFuge select s t he one
wit h t he highest filt r at e flow r at e.
In bot h r at ing and sizing calculat ions, CFuge calculat es t he cont ent and height of
t he cent r ifuge basket .
Use t he following for ms t o ent er specificat ions and view r esult s for CFuge:
Use this form To do this
Input Specify centrifuge and filter cake parameters and centrifuge dimensions
BlockOptions Override global values for physical properties, simulation options, diagnostic message
levels, and report options for this block
Results View summary of CFuge results and material and energy balances
Fi lter Cake Characteri sti cs
Use t he Input Filt er Cake sheet t o specify:
• Cake r esist ance
• Moist ur e Cont ent
• Spher icit y
• Medium r esist ance
• Por osit y
• The aver age diamet er of t he solid par t icles in t he cake
8-54 Unit Oper at ion Models
Ver sion 10
Solids
The filt er cake moist ur e cont ent is t he r at io of t he mass flow r at e of liquid t o t hat
of t he solid in t he out let solids st r eam. The filt er cake moist ur e cont ent is an
impor t ant design par amet er . You should pr ovide it if possible. If you do not ent er
it , CFuge calculat es an est imat e fr om t he aver age par t icle diamet er and cake
par amet er s (Dombr owski, H.S., and Br ownell, L.E., 1954)
1
.
If you ent er t he par t icle size dist r ibut ion (PSD) of t he inlet solid st r eam, CFuge
calculat es t he aver age par t icle diamet er , so you do not need t o ent er aver age
diamet er on t he Input Filt er Cake sheet .
Fi ltrate Flow Rate
CFuge calculat es t he filt r at e volumet r ic flow r at e fr om:
Q F WM
l
· −
1
ρ
( )
Wher e:
F = Feed liquid volumet r ic flow r at e
M = Moist ur e cont ent , mass of liquid/mass of dr ied solid
(specified as Moist ur e Cont ent on t he Filt er Cake sheet or
calculat ed by t he model)
W = Dr y solids feed r at e
ρ
l
= Liquid densit y
Pressure Drop
CFuge calculat es t he pr essur e dr op (Gr ace, H.P., 1953)
2
acr oss t he filt er cake as:
∆p
r r
l
·
− ρ ω
2
2
2
1
2
2
( )
Wher e:
ω = Rot at ional speed
r
1
= Radius of liquid sur face
r
2
= Radius of inner wall of bowl
ρ
l
= Liquid densit y
Unit Oper at ion Models 8-55
Ver sion 10
Chapter 8
Separati on Effi ci ency
Separ at ion efficiency, E, is defined as:
E
underflow rate of solids
feedflow rate of solids
·
CFuge assumes t hat t he separ at ion efficiency of t he solids equals 1, so t hat t he
out let filt r at e st r eam cont ains no r esidual solids.
References
1. Dombr owski, H.S., and Br ownell, L.E., Industrial and Engineering
Chemistry, 46, 6, 1207 (1954).
2. Gr ace, H.P., Chemical Engineering Progress, 49, 8, 427 (1953).
8-56 Unit Oper at ion Models
Ver sion 10
Solids
Fi lter
Rotary Vacuum Filter
Use Filt er t o simulat e cont inuous r ot ar y vacuum filt er s. You can use Filt er t o
r at e or size r ot ar y vacuum filt er s.
Filt er assumes t he separ at ion efficiency of t he solids equals 1, so t hat t he out let
filt r at e st r eam cont ains no r esidual solids.
Flowsheet Confi gurati on for Fi lter
Feed
Filtrate
Solids
Materi al Streams
Inlet One mat er ial st r eam wit h at least one solids subst r eam
Outlet One mat er ial st r eam for t he liquid filt r at e
One mat er ial st r eam for t he solids
Speci fyi ng Fi lter
Use t he Input Specificat ions sheet t o specify oper at ing condit ions and
par amet er s.
Unit Oper at ion Models 8-57
Ver sion 10
Chapter 8
To perform these
calculations Enter Filter calculates
Rating Simulation
Diameter
Width
Rate of revolution
Filter cake characteristics (optional)
Pressure drop
across filter
Sizing Design
Maximum allowable pressure drop across the filter cake and
medium
Rate of revolution
Filter cake characteristics (optional)
Width to diameter ratio (optional)
Diameter
Width
In bot h calculat ion modes, ASPEN PLUS det er mines t he following:
• Filt r at e volumet r ic flow r at e
• Cake t hickness
• Mass fr act ion of solids in t he solids filt er cake
Use t he following for ms t o ent er specificat ions and view r esult s for Filt er :
Use this form To do this
Input Specify filter and filter cake parameters
BlockOptions Override global values for physical properties, simulation options, diagnostic
message levels, and report options for this block
Results View summary of Filter results and material and energy balances
Fi lter Cake Characteri sti cs
Filt er assumes:
• The cake t hickness is gr eat er t han 0.00635 m.
• The capillar y number is gr eat er t han 1.
• The filt er cake is incompr essible or compact ed unifor mly t hr oughout it s
t hickness
2
When t he specific cake r esist ance α at t he r equir ed pr essur e dr op ∆P is not
available, Filt er can est imat e it using t he following empir ical cor r elat ion:
( ) α α ·
O
k
P ∆
Wher e:
α
O = Specific cake r esist ance at unit pr essur e dr op
k
= Cake compr essibilit y
8-58 Unit Oper at ion Models
Ver sion 10
Solids
You can use t his equat ion for int er polat ion and shor t -r ange ext r apolat ion when
some exper iment al dat a of α
O
and ∆P ar e available. α
O
is t he int er cept of t he
log-log plot of α ver sus ∆P. α and α
O
bot h have t he unit s det er mined by t he
specified unit s set , and ∆P is always in Pascals.
Use t he Aver age Diamet er field on t he Filt er Cake sheet t o specify t he aver age
diamet er of solid par t icles in t he filt er cake. If you ent er t he par t icle size
dist r ibut ion (PSD) of t he inlet solid st r eam, Filt er calculat es t he aver age par t icle
size.
Pressure Drop
Filt er calculat es t he pr essur e dr op
1
acr oss t he filt er cake wit h:
Q RHV RH
p V
W
· ·

¸

1
]
1
ω
ωθ
µα
2
1 2

/
Wher e:
Q = Filt r at e volume flow r at e
ω = Angular velocit y
R = Radius
H = Widt h
V = Filt r at e volume per unit ar ea
∆p = Pr essur e dr op
θ = Wet t ing angle
µ = Viscosit y
α = Filt r at ion r esist ance
W = Solid mass per unit ar ea
Separation Efficiency
Separ at ion efficiency, E, is defined as:
E
underflow rate of solids
feedflow rate of solids
·
Unit Oper at ion Models 8-59
Ver sion 10
Chapter 8
Filt er assumes t he separ at ion efficiency of t he solids equals 1, so t hat t he out let
filt r at e st r eam cont ains no r esidual solids.
References
1. Br ownell, L.E. and Kat z, D. I., Chemical Engineering Progress, 43, 11, 601
(1947).
2. Dombr owski, H.S. and Br ownell, L.E., Industrial and Engineering Chemistry,
46, 6, 1207 (1954).
Addi ti onal Readi ng:
Br ownell, L.E. and Kat z, D. I., Chemical Engineering Progress, 43, 10, 537
(1947).
Dahlst r om, D.A. and Silver blat t , C.E., S olid/ Liquid S eparation Equipment S cale
Up, Chapt er 2, Pur chas, D.B., Ed., Uplands Pr ess Lt d. (1977).
Silver blat t , C.E., Risbud, H., and Tiller , F.M., Chemical Engineering, 127 (Apr il
27, 1974).
8-60 Unit Oper at ion Models
Ver sion 10
Solids
Unit Oper at ion Models 8-61
Ver sion 10
Chapter 8
SWash
Single-Stage Solids Washer
Use SWash t o simulat e solids washer s in which dissolved component s in t he
ent r ained liquid of a solids st r eam ar e r ecover ed by a washing liquid. SWash
simulat es a single-st age solids washer ; it does not consider t he pr esence of a
vapor phase.
SWash calculat es t he flow r at es and composit ions of t he out let solids and liquid
st r eams fr om a user -specified liquid-t o-solid mass r at io of t he out let solids
st r eam and t he mixing efficiency of t he washer . For non-adiabat ic oper at ions,
SWash det er mines t he out let t emper at ur e when out let pr essur e and heat dut y
ar e given. Alt er nat ively, SWash calculat es t he r equir ed heat dut y when out let
t emper at ur e and pr essur e ar e specified.
Flowsheet Connecti vi ty for SWash
Liquid
Solids
Liquid
Solids
Heat (optional) Heat (optional)
Materi al Streams
Inlet One st r eam for t he solids par t icles wit h an ent r ained liquid
One st r eam for t he washing liquid
Outlet One st r eam for t he washed solids par t icles
One st r eam for t he washing liquid and ent r ained liquid fr om t he inlet
solids st r eam
Heat Streams
Inlet One st r eam for heat dut y (opt ional)
Outlet One st r eam for net heat dut y (opt ional)
8-62 Unit Oper at ion Models
Ver sion 10
Solids
If you specify only pr essur e on t he Input Out let Flash sheet , SWash uses t he inlet
heat st r eam as a dut y specificat ion. Ot her wise, SWash only uses t he inlet heat
st r eam t o calculat e t he net heat dut y. The net heat dut y is t he inlet heat st r eam
minus t he act ual (calculat ed) heat dut y.
You can use an out let heat st r eam for t he net heat dut y.
Speci fyi ng SWash
You must specify t he mixing efficiency of t he washer and t he liquid-t o-solid mass
r at io of t he out let solids st r eam. For non-adiabat ic oper at ions, you must specify
t he pr essur e of t he washer and one of t he following:
• The t emper at ur e of t he washer
• Heat dut y (or an inlet heat st r eam wit hout an out let heat st r eam)
Alt er nat ively, SWash calculat es t he r equir ed heat dut y when out let t emper at ur e
and pr essur e ar e specified.
SWash assumes adiabat ic oper at ions if neit her t emper at ur e nor heat dut y is
specified.
Use t he following for ms t o ent er specificat ions and view r esult s for SWash:
Use this form To do this
Input Specify operating parameters, flash specifications, and convergence parameters
BlockOptions Override global values for physical properties, simulation options, diagnostic message
levels, and report options for this block
Results View summary of SWash results and material and energy balances
Mi xi ng Effi ci ency
The mixing efficiency of t he washer , E, is defined as:
E
x x
x x
IN
S
OUT
S
IN
S
OUT
L
·


Wher e:
x
IN
S
= Mass fr act ion of dissolved component s in t he ent r ained
liquid of t he inlet solids st r eam
x
OUT
S
= Mass fr act ion of dissolved component s in t he ent r ained
liquid of t he out let solids st r eam
x
OUT
L
= Mass fr act ion of dissolved component s in t he out let liquid
st r eam
Unit Oper at ion Models 8-63
Ver sion 10
Chapter 8
Bypass Fracti on
The bypass fr act ion is t he fr act ion of liquid in t he feed t hat bypasses t he mixing,
when mixing efficiency is less t han 1. It is calculat ed as:
Bypass fraction mixing efficiency
liquid to solid ratio specified for SWash
liquid to solid ratio in inlet solids stream
· − ×
− −
− −
( ) 1
8-64 Unit Oper at ion Models
Ver sion 10
Solids
CCD
Counter-Current Decanter
CCD simulat es a count er -cur r ent decant er or a mult ist age washer . CCD
calculat es t he out let flow r at es and composit ions fr om:
• Mixing efficiency
• Liquid-t o-solid mass r at io of each st age
CCD can calculat e:
• The heat dut y pr ofile fr om a specified t emper at ur e pr ofile
• The t emper at ur e pr ofile fr om a specified heat dut y pr ofile
CCD does not consider a vapor phase.
Flowsheet Connecti vi ty for CCD
Overflow Solids
(Top feed)
Product From
Overflow
(optional)
Feed To
Overflow
(optional)
Washing
Liquid
(Bottom feed)
Underflow
Product From
Underflow
(optional)
Feed To
Underflow
(optional)
Nstage
1
Materi al Streams
Inlet One solids inlet mat er ial st r eam (t op feed)
One liquid inlet mat er ial st r eam (bot t om feed)
Any number of opt ional inlet mat er ial side st r eams per st age
Outlet One t op pr oduct st r eam (over flow)
One bot t om pr oduct st r eam (under flow)
One opt ional st r eam per st age for t he solids (under flow)
One opt ional st r eam per st age for t he liquid (over flow)
Any number of pseudopr oduct st r eams (opt ional)
Unit Oper at ion Models 8-65
Ver sion 10
Chapter 8
Any number of pseudopr oduct st r eams can r epr esent int er nal under flows or
over flows. A pseudopr oduct st r eam does not affect t he r esult s of t he simulat ion.
Speci fyi ng CCD
Use t he CCD Input Specificat ions sheet t o ent er t he number of st ages, pr essur e,
mixing efficiency, and liquid-t o-solid mass r at io.
Use t he CCD Input St r eams t o ent er feed, pr oduct , and opt ional heat st r eam
locat ions.
On t he CCD Input Temp-Dut yPr ofiles sheet , not e t he following:
If you enter CCD calculates
Stage temperature Stage heat duty
Stage heat duty Stage temperature
Stage overall heat transfer
coefficient
Stage temperature
You cannot ent er bot h t emper at ur e pr ofiles and heat dut ies or over all heat
t r ansfer coefficient s. If you ent er st age heat dut y and/or an over all heat t r ansfer
coefficient , and you do not ent er values for all st ages, t he syst em assumes
unspecified values t o be zer o. Ent er t he medium t emper at ur e of each st age when
you ent er over all heat t r ansfer coefficient s. Use t he Est imat ed Temper at ur e field
t o ent er est imat ed st age t emper at ur es.
Note CCD int er polat es unspecified values and, by default , assumes
t hem t o be t he same as t he ambient t emper at ur e.
Use t he CCD Input PseudoSt r eam sheet t o t r ansfer t he int er nal over flow or
under flow of a st age t o a pseudost r eam.
Use t he following for ms t o ent er specificat ions and view r esult s for CCD:
Use this form To do this
Input Specify operating parameters, temperature profile parameters,
pseudostream information, and convergence parameters
BlockOptions Override global values for physical properties, simulation options,
diagnostic message levels, and report options for this block
Results View summary of CCD results, material and energy balances, and stage
profiles
8-66 Unit Oper at ion Models
Ver sion 10
Solids
Component Attri butes
CCD does not consider t he mixing of component at t r ibut es and PSDs. CCD
assumes all out let solids st r eams have t he same at t r ibut es and PSD as t he solids
feed st r eam t o st age one. CCD also assumes all out let liquid st r eams have t he
same at t r ibut es and PSD as t he liquid feed st r eam t hr oughout t he final st ages.
Multi stage Washer Profi les
For any CCD pr ofile, such as mixing efficiency, liquid-t o-solid-r at io, t emper at ur e,
dut y, ent er a value for ever y st age, as infor mat ion becomes available. If you ent er
only some of t he values for some st ages, CCD gener at es t he complet e pr ofile by
linear int er polat ion of t he given values. If you ent er only one value, CCD
assumes a const ant pr ofile of t hat value t hr oughout t he washer .
Mi xi ng Effi ci ency
The mixing efficiency of st age n is defined as:
E
x x
x x
IN
S
OUT
S
IN
S
OUT
L
·


Wher e:
x
IN
S
= Mass fr act ion of dissolved component s in t he ent r ained liquid of t he
t ot al inlet solids st r eam t o st age n.
x
OUT
S
= Mass fr act ion of dissolved component s in t he ent r ained liquid of t he
t ot al out let solids st r eam fr om st age n.
x
OUT
L
= Mass fr act ion of dissolved component s in t he out let liquid st r eam
fr om st age n.
Unit Oper at ion Models 8-67
Ver sion 10
Chapter 8
Medi um Temperature
The dut y for each st age is calculat ed accor ding t o t he following equat ions:
Q UA Tcalc Tmed
i i i i
· − ( )
Wher e:
Q
i
= Heat dut y for st age i
UA
i
= Pr oduct of heat t r ansfer coefficient and ar ea for st age i
Tcalc
i
= Calculat ed out let t emper at ur e of st age i
Tmed
i
= Temper at ur e of t he heat t r ansfer medium at st age i
y y y y
8-68 Unit Oper at ion Models
Ver sion 10
Solids
Unit Oper at ion Models 9-1
Ver sion 10
Chapter 9
9 User Models
This chapt er descr ibes t he models t hat allow you t o wr it e your own unit
oper at ion models as For t r an subr out ines. These subr out ines must follow t he
guidelines descr ibed in t he AS PEN PLUS User Models r efer ence manual. The
models ar e:
Model Description Purpose Use For
User User-defined unit operation
model
Model a unit operation using a user-supplied
Fortran subroutine
Unit operations with four (or
fewer) inlet and outlet
streams
User2 User-defined unit operation
model
Model a unit operation using a user-supplied
Fortran subroutine.
Unit operations with no limit
on number of streams
9-2 Unit Oper at ion Models
Ver sion 10
User Models
User
User-Supplied Unit Operation Model
User can model any unit oper at ion model. You must wr it e a For t r an subr out ine
t o calculat e t he values of t he out let st r eams based on t he inlet st r eams and
par amet er s you specify.
User and User 2 differ only in t he number of inlet and out let st r eams allowed and
t he ar gument list s t o t he model subr out ine. User is limit ed t o a maximum of four
mat er ial and one heat or wor k inlet st r eam and a maximum of four mat er ial and
one heat or wor k out let st r eam. User 2 has no limit s on t he number of inlet and
out let st r eams.
Flowsheet Connecti vi ty for User
Heat (optional)
Work (optional)
Heat (optional)
Material
Work (optional)
Materi al Streams
Inlet One t o four inlet mat er ial st r eams
Outlet One t o four out let mat er ial st r eams
Heat Streams
Inlet One heat st r eam (opt ional)
Outlet One heat st r eam (opt ional)
Work Streams
Inlet One wor k st r eam (opt ional)
Outlet One wor k st r eam (opt ional)
Unit Oper at ion Models 9-3
Ver sion 10
Chapter 9
Speci fyi ng User
You must specify t he name of t he subr out ine model on t he Input Specificat ions
sheet . You have t he opt ion of specifying:
• A r epor t subr out ine name
• Size of t he int eger and r eal ar r ays (INT and REAL) passed t o t he user model
subr out ine
• Values of t he int eger and r eal ar r ays passed t o t he user model subr out ine
• Lengt h of int eger and r eal wor kspace vect or s
• Ther modynamic condit ions of each out let st r eam
• Type of flash calculat ions (vapor , liquid, t wo-phase, t hr ee-phase)
For infor mat ion on wr it ing For t r an subr out ines for user models, see t he
AS PEN PLUS User Models r efer ence manual.
Use t he following for ms t o ent er specificat ions and view r esult s for User :
Use this form To do this
Input Specify name and parameters for user subroutine, calculation options, and
outlet stream conditions and flash convergence parameters
BlockOptions Override global values for physical properties, simulation options, diagnostic
message levels, and report options for this block
Results View summary of User results and material and energy balances
9-4 Unit Oper at ion Models
Ver sion 10
User Models
User2
User-Supplied Unit Operation Model
User 2 can model any unit oper at ion model. You must wr it e a For t r an subr out ine
t o calculat e t he values of t he out let st r eams based on t he inlet st r eams and
par amet er s you specify.
User and User 2 differ only in t he number of inlet and out let st r eams allowed and
t he ar gument list s t o t he model subr out ine. User 2 has no limit s on t he number of
inlet and out let st r eams. User is limit ed t o a maximum of four mat er ial and one
heat or wor k inlet st r eam, and a maximum of four mat er ial and one heat or wor k
out let st r eam.
Flowsheet Connecti vi ty for User2
Heat (optional)
Work (optional)
Heat (optional)
Material
Work (optional)
Materi al Streams
Inlet At least one inlet mat er ial st r eam
Outlet At least one out let mat er ial st r eam
Heat Streams
Inlet Any number of heat st r eams (opt ional)
Outlet Any number of heat st r eams (opt ional)
Work Streams
Inlet Any number of wor k st r eams (opt ional)
Outlet Any number of wor k st r eams (opt ional)
Unit Oper at ion Models 9-5
Ver sion 10
Chapter 9
Speci fyi ng User2
You must specify t he name of t he subr out ine model on t he User 2 Input
Specificat ions sheet . You have t he opt ion of specifying:
• A r epor t subr out ine name
• Size of t he int eger and r eal ar r ays (INT and REAL) passed t o t he user model
subr out ine
• Values of t he int eger and r eal ar r ays passed t o t he user model subr out ine
• Lengt h of int eger and r eal wor kspace vect or s
• Ther modynamic condit ions of each out let st r eam
• Type of flash calculat ions (vapor , liquid, t wo-phase, t hr ee-phase)
For infor mat ion on wr it ing For t r an subr out ines for user models, see AS PEN
PLUS User Models r efer ence manual.
Use t he following for ms t o ent er specificat ions and view r esult s for User 2:
Use this form To do this
Input Specify name and parameters for user subroutine, calculation options, and outlet
stream conditions and flash convergence parameters
BlockOptions Override global values for physical properties, simulation options, diagnostic
message levels, and report options for this block
Results View summary of User2 results and material and energy balances
y y y y
9-6 Unit Oper at ion Models
Ver sion 10
User Models
Unit Oper at ion Models 10-1
Ver sion 10
Chapter 10
10 Pressure Relief
This chapt er cont ains det ailed r efer ence infor mat ion on t he ASPEN PLUS
Pr es-Relief model for pr essur e r elief calculat ions. For infor mat ion on using
Pr es-Relief, see t he AS PEN PLUS User Guide, Chapt er 33.
This chapt er descr ibes t he following t opics:
• Specifying Pr es-Relief
• Scenar ios
• Rules t o size t he r elief valve piping
• Compliance wit h codes
• St r eam and vessel composit ions and condit ions
• React ions
• Relief syst em
• Dat a t ables for pipes and r elief devices
• Valve cycling
• Vessel t ypes
• Disengagement models
• St op cr it er ia
• Solut ion pr ocedur e for dynamic scenar ios
• Flow equat ions
• Calculat ion and conver gence met hods
• Vessel insulat ion cr edit fact or
10-2 Unit Oper at ion Models
Ver sion 10
Pressure
Relief
Pres-Reli ef
Pressure Relief Model
Use Pr es-Relief t o do eit her of t he following:
• Det er mine t he st eady-st at e flow r at ing of pr essur e r elief syst ems
• Dynamically model vessels under going pr essur e r elief due t o a fir e or heat
input specified by t he user . You may specify t hat r eact ions occur in t he vessel.
Speci fyi ng Pres-Reli ef
Use Pr es-Relief t o do eit her of t he following:
• Det er mine t he st eady-st at e flow r at ing of pr essur e r elief syst ems
• Dynamically model vessels under going pr essur e r elief due t o a fir e or heat
input specified by t he user . You may specify t hat r eact ions occur in t he vessel
Use t he Set up for m t o specify t he pr essur e r elief scenar io, gener al specificat ions
such as t he dischar ge pr essur e and t he est imat ed flow r at e, inlet st r eam
condit ions, init ial vessel condit ions, design r ules, and any r eact ions (dynamic
scenar ios only) t hat occur .
Use t he Relief Device for m t o specify t he r elief syst em. You must select a r elief
device and specify it s char act er ist ics. You must also specify t he vessel neck and
t he number of inlet and t ail pipe sect ions t o be used.
Use t he Dynamic Input for m t o specify t he r equir ed par amet er s for dynamic
scenar ios. These include vessel specificat ions, disengagement models and det ails
specific t o t he chosen scenar io. For t he fir e scenar io, you must specify t he fir e
st andar d and t he cr edit s t o be used. When t he scenar io is Dynamic r un wit h
specified heat flux, you must specify t he heat input par amet er s.
When t he number of inlet and t ail pipe sect ions exceeds 0, you must specify t he
det ails for each sect ion in t he Inlet Pipes and Tail Pipes for ms.
For dynamic scenar ios, use t he Oper at ions for m t o specify one or mor e var iables
t o be used as st op cr it er ia. The simulat ion will st op when t he value of any of
t hese var iables exceeds t he user -specified limit .
Unit Oper at ion Models 10-3
Ver sion 10
Chapter 10
Use t he following for ms t o ent er specificat ions and view r esult s for Pr es-Relief:
Use this form To do this
Setup Specify pressure relief scenario, general specifications, initial stream conditions, design
rules, and any reactions that occur (required input)
Relief Device Specify the type of relief device and the characteristics of the device (required input)
Inlet Pipes Specify piping, fittings, and valves immediately upstream of the relief device (optional
input)
Tail Pipes Specify piping, fittings, and valves immediately downstream of the relief device (optional
input)
Dynamic Input Specify parameters describing the dynamic event (required for dynamic scenarios)
Operations Specify criteria that will terminate the dynamic simulation (required for dynamic
scenarios)
Convergence Override default methods and convergence parameters for the algorithms involved in the
pressure relief simulation (optional input)
Block Options Override default methods and options for property calculation, simulation, diagnostics,
and reporting (optional input)
Results Review calculated results and profiles for the steady-state scenarios
Dynamic Results Review calculated results and profiles for the dynamic scenarios
Scenari os
Scenar ios ar e sit uat ions t hat cause vent ing t hr ough t he pr essur e r elief syst em t o
occur . Pr es-Relief suppor t s t he following scenar ios:
• Dynamic r un wit h vessel engulfed by fir e
• Dynamic r un wit h specified heat flux int o vessel
• St eady st at e flow r at ing of r elief syst em
• St eady st at e flow r at ing of r elief valve
Dynami c Run wi th Vessel Engulfed by Fi re
Use t his scenar io t o model a vessel engulfed by fir e. You must specify t he vessel
geomet r y and init ial composit ion. ASPEN PLUS can comput e t he ener gy input
for t his scenar io accor ding t o t he following st andar ds:
• NFPA-30
• API-520
• API-2000
10-4 Unit Oper at ion Models
Ver sion 10
Pressure
Relief
ASPEN PLUS assumes t he calculat ed ener gy input is const ant dur ing t he ent ir e
vent ing t r ansient . ASPEN PLUS uses cr edit fact or s for dr ainage, wat er -spr ay,
fir e-fight ing equipment , and insulat ion t o r educe ener gy input , if appr opr iat e for
t he chosen st andar d. You may specify a t ot al cr edit fact or inst ead of individual
cr edit fact or s. You must specify t he fir e dur at ion t ime. This is a dynamic
scenar io. The vessel cont ent s and r elief r at e change as a funct ion of t ime.
The following t ables descr ibe how ASPEN PLUS calculat es wet t ed ar ea, ener gy
input , and cr edit fact or s for each of t he t hr ee st andar ds.
Calculation of Wetted Area
Vessel type NFPA-30 API-2000 API-520
Horizontal 75% of total exposed
area
75% of total area or area to a height of
30 ft. above grade, whichever is greater
Wetted area up to 25 ft. above grade
(based on specified liquid level)
Vertical Area up to 30 ft.
above grade. Bottom
plate is included if
exposed
Area up to 30 ft. above grade. If on
ground, bottom plate is not included.
Wetted area up to 25 ft above grade
(based on specified liquid level).
Bottom plate is included if exposed.
Sphere 55% of total exposed
area
55% of surface area, or surface area to
a height 30 ft. above grade, whichever
is greater
Up to a maximum horizontal diameter
or up to height of 25 ft. above grade,
whichever is greater
Calculation of Q (Btu/hr), Based on Area (sq-ft)
NFPA-30

and API-2000
Area range Heat input
20 < area < 200 Q=20,000Area
200 < area < 1000 Q=199,300(Area
0.566
)
1000 < area < 2800 Q=963,400(Area
0.338
)
2800 < area Q=21000(Area
0.82
)

For NFPA-30 , QMAX=14,090,000 at 2800 square feet if operating pressure < 1 PS IG
API-520
Heat input
Q=34,500(Area
0.82
)
Unit Oper at ion Models 10-5
Ver sion 10
Chapter 10
Calculation of Credit Factors
Type NFPA-30 API-2000 API-520
Insulation only .3 F=K(1660-TF)/21,000t

You must specify F
Same as API-2000
Drainage only .5
(Area > 200 sq. ft.)
1. Not defined
Water and drainage .3 1. Not defined
Water, insulation, and
drainage
.15
(Area > 200 sq. ft.)
NSUL Not defined
Insulation and drainage .15
(Area > 200 sq. ft.)
Not defined Not defined
Drainage and prompt fire
fighting effort
No credit Not defined 0.6*INSUL
Portable No credit factors allowed Not defined Not defined

S ee Vessel Insulation Credit Factor, this chapter.
Dynami c Run wi th Speci fi ed Heat Flux i nto Vessel
This scenar io is similar t o t he fir e exposur e scenar io, except it can model any
ener gy input . ASPEN PLUS can comput e t he ener gy input for t his scenar io in
t hr ee ways depending on whet her you specify:
• A const ant dut y
• A dut y pr ofile
• An ar ea for heat t r ansfer , a heat t r ansfer coefficient , and a sour ce fluid
t emper at ur e
This scenar io is a dynamic scenar io and is t ypically used for elect r ical heat er s
and ot her ener gy sour ces.
Steady State Flow Rati ng of Reli ef System
Use t his scenar io t o find t he flow r at e t hr ough a specified r elief syst em at t he
specified composit ion. For t his scenar io, you must ent er your own:
• Relief r at e
• Piping descr ipt ion
• Feed st r eam composit ion
• Feed st r eam condit ion
10-6 Unit Oper at ion Models
Ver sion 10
Pressure
Relief
Steady State Flow Rati ng of Reli ef Valve
Use t his scenar io t o find t he flow r at e t hr ough a valve, given t he composit ion and
condit ion at t he ent r ance t o t he valve. This is t he simplest scenar io. It is similar
t o t he st eady st at e flow r at ing of r elief syst em scenar io, except no piping is
allowed.
Compli ance wi th Codes
Pr es-Relief allows t wo t ypes of r uns:
• Code capacit y
• Act ual capacit y
The pr imar y pur pose of t he code capacit y r un is t o ensur e t hat t he capacit y of t he
r elief syst em, r at ed as r equir ed by code, exceeds t he maximum capacit y dict at ed
by t he scenar io. The maximum pr essur e r eached dur ing t he r elief event must be
less t han t he code allowable accumulat ion. The Code Capacit y r un includes t he:
• ASME valve r at ing fact or of .90
• Valve flow coefficient
• A combinat ion coefficient
The combinat ion coefficient is only included if a r upt ur e disk/r elief valve
combinat ion is being designed. Typical combinat ion coefficient s for NBBI
cer t ified combinat ions ar e close t o 1.00. If t he combinat ion is not cer t ified, t he
ASME code r equir es a combinat ion coefficient of .90. The pr imar y pur pose of t he
act ual capacit y r un is t o pr ovide t he best est imat e of t he act ual flow t hr ough t he
syst em. Design of downst r eam equipment (ot her t han t he t ail pipe) is one
example why you might need t his infor mat ion. The act ual capacit y r un cont ains
t he valve flow coefficient , but not t he ASME valve r at ing fact or of .90 or t he
combinat ion coefficient .
Stream and Vessel Composi ti ons and Condi ti ons
For t he st eady-st at e scenar ios, you must specify t he composit ion and condit ions
(t wo of t emper at ur e, pr essur e, and vapor fr act ion) of t he feed st r eam. You can do
t his on t he Set up St r eams sheet in t wo ways:
• Refer ence an ASPEN PLUS st r eam
• Give t he composit ion and condit ions of t he st r eam as input t o Pr es-Relief
Unit Oper at ion Models 10-7
Ver sion 10
Chapter 10
For t he dynamic scenar ios, you must specify t he composit ion and t he condit ions
in t he vessel at t he beginning of t he pr essur e r elief calculat ions. Do t his by
r efer encing an ASPEN PLUS st r eam, or by specifying t he composit ion and t wo of
t emper at ur e, pr essur e, and vapor fr act ion on t he Set up Vessel Cont ent s sheet .
As wit h t he st eady-st at e scenar ios, you may r efer ence an ASPEN PLUS st r eam
or give t he composit ion and condit ions as input t o Pr es-Relief. When vapor
fr act ion is not specified, you may also specify:
• Init ial liquid fill fr act ion (fillage) of t he vessel
• Pad-gas pr essur e and Component ID
Only t wo of t emper at ur e, pr essur e, and vapor fr act ion can be specified or
r efer enced fr om a st r eam.
Rules to Si ze the Reli ef Valve Pi pi ng
ASPEN PLUS uses sever al r ules (3% r ule, X% r ule, and 97% r ule) t o size t he
inlet and out let piping wit h PSVs. The r ules use t he following t er minology:
DS P = Differ ent ial set pr essur e
CBP = Const ant back pr essur e
Psta = St at ic pr essur e
Ptot = St at ic pr essur e + velocit y pr essur e
IDP = Inlet pr essur e dr op
Pt ot (vessel) - Pt ot (valve in)
BBP = Built -up back pr essur e
Pst a (valve out ) - CBP
These r ules ar e applied for bot h act ual and code capacit y r uns and ar e applied at
t he conver ged solut ion for t he st eady-st at e scenar ios.
For dynamic scenar ios, t he 3% Rule and X% Rule ar e applied once, at 10%
over pr essur e. If all pr essur es ar e above 10% over pr essur e, t he t est is not
per for med and a war ning is issued. If all pr essur es ar e below 10% over pr essur e,
t he highest pr essur e value is scaled up t o 10% over pr essur e, and t he scaled
values ar e used in applying t he r ule. The 97% r ule is applied when t he pr essur e
at t he valve inlet is at or above 10% over pr essur e.
None of t he r equir ed st andar ds ment ions any of t hese r ules except for t he X%
r ule wit h X=10. The X% r ule is ment ioned in t he non-mandat or y appendix of t he
ASME code.
10-8 Unit Oper at ion Models
Ver sion 10
Pressure
Relief
3% Rule
Accor ding t o t he 3% r ule, t he t ot al pr essur e loss in t he inlet must be less t han 3%
of t he differ ent ial set pr essur e when t he flow r at e is equal t o t he code capacit y of
t he valve at 10% over pr essur e.
IDP DSP ≤ 0 03 .
For cases wher e t he over pr essur e does not r each 10%, adjust t he pr essur e dr op
r ule by mult iplying by t he r at io of t he maximum flowing pr essur e t o 10%
over pr essur e (psig).
IDP
RP
SP
≤ 0 03
11
.
.
X% Rule
Accor ding t o t he X% r ule, t he built -up back pr essur e must be less t han X% of t he
differ ent ial set pr essur e when t he flow r at e is equal t o t he code capacit y of t he
valve at 10% over pr essur e.
BBP
X
DSP ≤
100
For cases wher e t he over pr essur e does not r each 10% adjust t he pr essur e dr op
r ule by mult iplying by t he squar e of t he r at io of t he maximum flowing pr essur e
t o 10% over pr essur e (psig).
BBP
X RP
PS

¸
¸

_
,

100 11
2
.
97% Rule
Accor ding t o t he 97% r ule, 97% of t he differ ent ial set pr essur e must be available
acr oss t he valve anyt ime t he over pr essur e is equal t o or above 10% wit h a flow
t hr ough t he valve based on code capacit y.
RP CBP IDP BBP DSP − − − ≥ 0 97 .
For cases wher e t he over pr essur e does not r each 10%, apply t he r ule at peak
over pr essur e.
Unit Oper at ion Models 10-9
Ver sion 10
Chapter 10
Recommendati ons for Speci fi c Valve Types
For st a nd a r d spr i ng l oa d ed va l ves or pop a ct i on pi l ot va l ves wi t h
unba l a nced pi l ot s vent ed t o t he d i scha r ge:
The differ ent ial set pr essur e is t he set pr essur e minus t he const ant back
pr essur e.
DSP SP CBP · −
Size t he inlet piping using t he 3% r ule.
Size t he out let piping using t he 97% r ule.
-Or -
Size t he out let piping wit h t he X% r ule using X = 10.
For ba l a nced bel l ows spr i ng l oa d ed va l ves:
The differ ent ial set pr essur e is t he set pr essur e.
DSP SP ·
Size t he inlet piping using t he 3% r ule.
Size t he out let piping wit h t he X% r ule using X = 30.
For mod ul a t i ng pi l ot oper a t ed va l ves wi t h ba l a nced pi l ot s or pi l ot s
vent ed t o a t mospher e:
The differ ent ial set pr essur e is t he set pr essur e.
DSP SP ·
You can use t he scenar io r equir ed flow r at her t han t he valve capacit y for
pr essur e dr op calculat ions as an opt ion. This can easily be simulat ed by changing
t he input or ifice ar ea unt il t he over pr essur e r eaches 10%.
Ther e is no inlet pr essur e dr op r ule.
Size t he out let piping wit h t he X% r ule using X = 50.
Reacti ons
If t he pr ot ect ed vessel is a ver t ical, hor izont al, API, spher ical , or user -specified
t ank, you may model it wit h or wit hout r eact ions. Specify t he r eact ions by giving
t he React ions ID on t he Set up React ions sheet .
10-10 Unit Oper at ion Models
Ver sion 10
Pressure
Relief
Reli ef System
The vent ing syst em consist s of:
• A vessel neck
• One or t wo sect ions of inlet pipe
• The r elief device it self
• One or t wo sect ions of t ail pipe
In a simulat ion, t he syst em being modeled may consist of an inlet pipe wit hout a
r elief device, or a r elief device connect ed t o t he vessel wit hout an inlet pipe. The
t ail pipe is opt ional.
Reli ef Devi ces
Pr es-Relief can model t he following t ypes of r elief devices:
• Safet y r elief valves (PSVs; bot h liquid and gas/2-phase)
• Rupt ur e disks (PSDs)
• Emer gency r elief valves (ERVs)
• SRV/r upt ur e disk combinat ions
• Open vent pipes
Int er nal t ables (accessed fr om t he ReliefDevice Safet yValve sheet ) cont ain
sever al st andar d commer cially available valves, along wit h all t he mechanical
specificat ions and cer t ified coefficient s needed in t he r elief calculat ions. You may
choose one valve fr om t he t ables, or ent er your own valve specificat ions and
coefficient s.
For liquid ser vice valves, you must also specify t he full-lift over pr essur e. This
allows ASPEN PLUS t o simulat e some of t he older st yle valves which do not
achieve full lift unt il 25% over pr essur e is r eached.
For gas/2-phase ser vice valves, you must also specify t he aver age opening and
closing fact or s. The valve does not open unt il t he pr essur e dr op acr oss t he valve
r eaches (opening fact or * Dif-Set p). The valve closes when t he pr essur e dr op
acr oss it r eaches (closing fact or * Dif-Set p).
In an act ual capacit y r un, t he r upt ur e disk is modeled as a bit of r esist ance using
t he pipe model. The default value of L/D is 8 for a r upt ur e disk wit h a diamet er
of 2 inches or less and 15 if t he diamet er is gr eat er t han 2 inches. You can
over r ide t he default by specifying a value on t he Relief Device Rupt ur e Disk
sheet .
In t he code capacit y r un, t he r upt ur e disk is modeled as an ideal nozzle wit h a
cer t ified dischar ge coefficient . If no cer t ified dischar ge coefficient is available, a
value of 0.62 is suggest ed.
In a code capacit y r un in combinat ion wit h a safet y r elief valve, t he r esist ance of
t he r upt ur e disk is modeled by t he combinat ion coefficient in t he valve model.
Unit Oper at ion Models 10-11
Ver sion 10
Chapter 10
The emer gency r elief vent is modeled as a nozzle. A de-r at ing fact or of 0.9 is used
in a code capacit y r un.
Pi pi ng System
The inlet piping syst em can be made of one of t he following:
• One pipe sect ion
• Two sect ions of pipe plus a vessel neck, all wit h differ ent diamet er s
The t ail pipe can be made of one sect ion of pipe or of t wo sect ions of pipe wit h
differ ent diamet er s.
For each pipe sect ion, specify:
• Pipe diamet er
• Lengt h
• Elevat ion
• Whet her t he pipes ar e scr ewed t oget her or held t oget her wit h flanges or
welds
If pipes of differ ent diamet er s ar e used, r educer and expander r esist ance
coefficient s ("K" fact or s) can be specified. ASPEN PLUS uses t he equat ion
K=4*fr *(L/D) t o conver t fr om r esist ance coefficient s t o equivalent L/D, wher e t he
t er m "fr " is t he fr ict ion fact or . Opt ional infor mat ion for each sect ion consist s of
t he number of 90 degr ee elbows, st r aight t ees, br anched t ees, gat e valves,
but t er fly valves, t r ansflo valves, and cont r ol valves. You can add ot her fit t ings
not list ed by specifying t he L/D value. ASPEN PLUS calculat es a t ot al equivalent
L/D befor e modeling t he pipe sect ion.
You may also specify:
• Ambient t emper at ur e at t he inlet and out let of t he pipe
• A heat t r ansfer coefficient t o exchange heat wit h t he pipe cont ent s
While modeling t he pipe sect ion, ASPEN PLUS det ect s t he choked condit ion in
t he pipe by keeping t r ack of t he Mach Number as int egr at ion down t he pipe
pr oceeds. If t he Mach Number goes above 1.0, int egr at ion is st opped and a flag is
r et ur ned t o indicat e t hat t he pipe choked.
Pipeline pr essur e dr op modeling can wor k in t wo ways. You may specify one of
t he following:
• Rigor ous flashes ar e t o be done at each st ep in t he int egr at ion
• A flash t able is used dur ing pipe int egr at ion
10-12 Unit Oper at ion Models
Ver sion 10
Pressure
Relief
If you r equest a t able, specify t he number of t emper at ur e and pr essur e point s in
t he t able. At each t emper at ur e-pr essur e pair , ASPEN PLUS per for ms a flash and
calculat es all necessar y pr oper t ies (densit y, viscosit y, sur face t ension, and so on).
As int egr at ion pr oceeds, ASPEN PLUS int er polat es in t his t able t o get t he
necessar y pr oper t ies. If pr oper t ies out side t he t able ar e needed, a r igor ous flash
is per for med at t hat point . In gener al, t he pipe int egr at ion pr oceeds fast er if t he
flash t able is used. Sever al cor r elat ions ar e available, depending on t he pipe
inclinat ion. The default met hod for all inclinat ions (holdup and fr ict ional
pr essur e loss) is Beggs and Br ill. Ot her available opt ions ar e:
• Dar cy
• Lockhar t -Mar t inelli
• Dukler for fr ict ional loss
• Lockhar t -Mar t inelli, Slack, and Flanigan for holdup
Data Tables for Pi pes and Reli ef Devi ces
Pr es-Relief includes sever al cust omizable t ables t hat list t he available opt ions for
pipes, gener al pur pose valves, safet y r elief valves, emer gency r elief vent s, and
r upt ur e disks. You can modify t he t ables by changing dat a files. Then pr ocess t he
files t hr ough ModelManager Table Building Syst em (MMTBS).
Pi pes
Pr es-Relief includes a t able of act ual diamet er s for sever al st eel pipe schedules.
Use t his t able when choosing t he piping for t he inlet and t ail pipes. You can modify
t his t able by including mor e pipe mat er ials and/or schedules. The following sect ion
shows t he t able or ganizat ion.
Unit Oper at ion Models 10-13
Ver sion 10
Chapter 10
fir st mat er ial of const r uct ion
# of t ypes
fir st t ype
# of diamet er s
nominal diamet er act ual diamet er
nominal diamet er act ual diamet er
.
.
second t ype
# of diamet er s
nominal diamet er act ual diamet er
nominal diamet er act ual diamet er
.
.
second mat er ial of const r uct ion
# of t ypes
fir st t ype
# of diamet er s
nominal diamet er act ual diamet er
nominal diamet er act ual diamet er
.
.
second t ype
nominal diamet er act ual diamet er
nominal diamet er act ual diamet er
.
.
General-Purpose Valves
For gener al-pur pose valves in t he inlet or t ail pipes, Pr es-Relief includes a t able of
various manufact urers’ valves fr om 1 inch t o 10 inches. The valves include:
• Dur co Plug
• Tufline Plug
• J amesbury Ball
• AGCO Select or
• KTM Ball (L-Por t and T-Por t )
10-14 Unit Oper at ion Models
Ver sion 10
Pressure
Relief
For each manufact ur er , t he t able cont ains:
• Valve t ype (for example., L-Por t or T-Por t )
• Nominal diamet er
• Por t ar ea
• Flow coefficient
The t able is or ganized as follows:
fir st manufact ur er
# of t ypes
fir st t ype
# of diamet er s
nominal diamet er por t ar ea flow coeff
nominal diamet er por t ar ea flow coeff
.
.
second t ype
# of diamet er s
nominal diamet er por t ar ea flow coeff
nominal diamet er por t ar ea flow coeff
.
.
Safety Reli ef Valves
Pr es-Relief includes a t able of manufact ur er s’ safet y r elief valves. It cont ains
valves for liquid and gas/2-phase ser vice. For each valve, t he t able cont ains:
• Ser vice
• Type
• Manufact ur er
• Ser ies, size (for example, 3L4)
• Thr oat diamet er
• Inlet diamet er
• Out let diamet er
• Dischar ge coefficient
• Over pr essur e fact or (for liquid ser vice valves)
Unit Oper at ion Models 10-15
Ver sion 10
Chapter 10
The t able is or ganized as follows:
Ser vice (Liquid, Gas, or 2-phase)
# of t ypes
fir st t ype
# of manufact ur er s
fir st manufact ur er
# of ser ies
fir st ser ies
# of sizes
fir st size
# of t hr oat diamet er s
t hr oat diam inlet diam out let diam dischg coeff over pr fact or
t hr oat diam inlet diam out let diam dischg coeff over pr fact or
.
.
t hr oat diam inlet diam out let diam dischg coeff over pr fact or
t hr oat diam inlet diam out let diam dischg coeff over pr fact or
Emergency Reli ef Vents
This t able cont ains:
• Nominal diamet er
• Effect ive diamet er
• Allowed set point for sever al Pr ot ect oseal and Gr ot h emer gency r elief vent s
You must specify an over -pr essur e fact or . The t able is or ganized as follows:
fir st manufact ur er
# of t ypes
fir st t ype
# of nominal diamet er s
nominal diamet er effect ive diamet er allowed set point
nominal diamet er effect ive diamet er allowed set point
.
.
Rupture Di sks
This t able cont ains manufact ur er s’ infor mat ion on r upt ur e disks. Each ent r y
cont ains:
• A manufact urer
• Type
• Nominal diamet er
• Act ual diamet er
• Dischar ge coefficient
10-16 Unit Oper at ion Models
Ver sion 10
Pressure
Relief
The t able is or ganized as follows:
fir st manufact ur er
# of t ypes
fir st t ype
# of nominal diamet er s
fir st nominal diam act ual diam dischar ge coeff
second nominal diam act ual diam dischar ge coeff
.
.
Valve Cycli ng
If a r elief valve is t oo lar ge for a given applicat ion, valve cycling may occur . In t his
sit uat ion, t he pr essur e in t he vessel builds up t o a point wher e t he valve opens, but
t hen closes almost immediat ely because enough mat er ial is r eleased t o lower t he
vessel pr essur e below t he closing pr essur e. In some simulat ions, t he valve may
open and close sever al t imes per second. The simulat ion may r un for a long t ime,
just opening and closing t he valve over and over .
To st op such a simulat ion, you can specify whet her or not t o st op cycling, and
how many openings and closings of t he valve ar e allowed in a specified amount of
t ime.
Vessel Types
You must ent er vessel geomet r y for t he dynamic scenar ios. You can choose one of
t he following vessel t ypes:
• Ver t ical Vessel
• Hor izont al Vessel
• API Tank
• Spher e
• Heat exchanger shell
• Vessel jacket
• User -specified
If you choose user -specified, you must specify sur face ar ea and volume. Sur face
ar ea is also r equir ed for vessel jacket . Maximum Allowable Wor king Pr essur e
(MAWP) wit h cor r esponding t emper at ur e is r equir ed for all vessel t ypes. Some
vessel t ypes r equir e diamet er , lengt h, and volume of int er nals.
Unit Oper at ion Models 10-17
Ver sion 10
Chapter 10
Verti cal Vessel, Hori zontal Vessel, and API Tank
If you choose ver t ical vessel, hor izont al vessel, or API t ank, choose one of t hese
head t ypes:
• Flanged and dished
• Ellipsoidal
• User -specified
If you choose user -specified head t ype, you must specify t he ar ea and volume of a
head.
Sphere
If t he pr ot ect ed vessel is a spher e, you must specify:
• Diamet er
• MAWP wit h cor r esponding t emper at ur e
• Volume of int er nals
Heat Exchanger Shell
If t he pr ot ect ed vessel is a heat exchanger shell, in addit ion t o t he it ems specified
for a ver t ical vessel you must also specify whet her t he vessel is mount ed
ver t ically or hor izont ally.
Vessel Jacket
If t he pr ot ect ed vessel is a vessel jacket , you must specify:
• MAWP wit h cor r esponding t emper at ur e
• Volume of int er nals
• J acket volume
User-Speci fi ed
If t he pr ot ect ed vessel is user -specified, you must specify:
• Volume
• Ar ea
• MAWP wit h cor r esponding t emper at ur e
• Volume of int er nals
10-18 Unit Oper at ion Models
Ver sion 10
Pressure
Relief
Di sengagement Models
The following disengagement opt ions ar e available:
Option Description
Homogeneous Vapor fraction leaving vessel is the same as vapor fraction in vessel
All-vapor All vapor leaving vessel
All-liquid All liquid leaving vessel
Bubbly DIERS bubbly model
Churn-turbulent DIERS churn-turbulent model
User-specified Homogeneous venting until vessel vapor fraction reaches the user-specified value,
then all vapor venting
For t he bubbly and chur n-t ur bulent met hods, ASPEN PLUS uses t he DIERS
“swit ch-point ” calculat ions t o comput e t he point at which t ot al vapor -liquid
disengagement occur s. Use t he bubbly and chur n-t ur bulent models only for
ver t ical or API t anks.
Stop Cri teri a
For dynamic scenar ios, st op cr it er ia need t o be specified which will t er minat e t he
simulat ion. You must :
• Select a specificat ion t ype
• Ent er a value for t he specificat ion at which t he simulat ion will st op
• Select a component and subst r eam for component -r elat ed specificat ion t ypes
• Specify which appr oach dir ect ion (above or below) t o use in st opping t he
simulat ion
You may select fr om t he following specificat ion t ypes:
• Simulat ion t ime
• Vapor fr act ion in t he vessel
• Mole fr act ion of a specified component
• Mass fr act ion of a specified component
• Conver sion of a specified component
• Tot al moles or moles of a specified component
• Tot al mass or mass of a specified component
• Vessel t emper at ur e
• Vessel pr essur e
• Vent mole flow r at e or mole flow r at e of a component
• Vent mass flow r at e or mass flow r at e of a component
Unit Oper at ion Models 10-19
Ver sion 10
Chapter 10
You must also select t he locat ion of t he st op cr it er ia specificat ion. You may select
fr om t he following locat ions:
• Vessel
• Relief vent syst em
• Accumulat or
Cer t ain r est r ict ions apply depending on t he locat ion select ed.
When locat ion = vessel, mole and mass flow r at e ar e not allowed.
When locat ion = vent accumulat or , only t he following specificat ions ar e allowed:
• Mass fr act ion of a specified component
• Mole fr act ion of a specified component
• Tot al moles of a specified component
• Tot al mass of a specified component
When locat ion = vent , only t he flowing specificat ions ar e allowed:
• Mass fr act ion of a specified component
• Mole fr act ion of a specified component
• Vent molar flow r at e
• Vent mass flow r at e
Soluti on Procedure for Dynami c Scenari os
The pr oblem t o be solved is:
Given t he init ial condit ions in t he vessel, a descr ipt ion of t he pr essur e r elief
syst em, and t he heat flow int o t he vessel, calculat e t he flow r at e t hr ough t he
pr essur e r elief syst em and det er mine if t he pr essur e r elief syst em meet s code
r equir ement s.
The pr oblem is solved as out lined below. This algor it hm is for t he Heat -Input and
Fir e Scenar ios.
1. Given t he heat input t o t he vessel, solve t he ener gy balance and flash
equat ions along wit h t he r eact ion equat ions for t he vessel at t he pr esent t ime
st ep. If any of t he t er minat ion cr it er ia ar e met , go t o St ep 6. The opt ions for
specifying t er minat ion cr it er ia include:
• Time for scenar io exceeded
• Specified vapor fr act ion r eached
• Vessel cont ent s have r eached specified value
• Pr essur e in t he vessel is gr eat er t han t he maximum allowed
2. If t he pr essur e in t he vessel is less t han t he device opening pr essur e,
incr ement t ime and go t o St ep 1.
10-20 Unit Oper at ion Models
Ver sion 10
Pressure
Relief
3. Calculat e t he maximum flow r at e possible t hr ough t he pr essur e r elief syst em.
This value is calculat ed by finding t he smallest diamet er of any pipe or valve
in t he syst em, and calculat ing t he sonic velocit y t hr ough t hat diamet er .
4. Calculat e t he pr essur e at t he end of t he vessel neck, aft er each sect ion of t he
inlet pipe, aft er t he pr essur e r elief device, and aft er each sect ion of t he t ail
pipe based on t he cur r ent flow est imat e. If t he pr essur e at t he end of any
sect ion is less t han t he user -specified dischar ge pr essur e, it is not necessar y
t o do t he calculat ions for t he next sect ion.
5. If t he pr essur e at t he end of t he pr essur e r elief syst em is wit hin t oler ance of
t he user -specified dischar ge pr essur e, incr ement t ime and go t o St ep 1.
Ot her wise, calculat e a new guess for t he flow t hr ough t he r elief syst em and
go t o St ep 4.
6. Given t he flow at any t ime, check wher e t he choke point is. If t he choke point
is not at t he pr essur e r elief valve, t he syst em is unaccept able. Check if any
applicable codes ar e violat ed. If so, t he syst em is unaccept able.
Flow Equati ons
Pi pe Flow
This is t he gener al differ ent ial equat ion for flow t hr ough a const ant diamet er pipe:
υ υ υ
υ
dp G d f
D
dL g dL + +
¸
¸

_
,

¸

1
]
1
+ ·
2
2
4
2
0 sinΦ (1)
Wher e:
υ = Specific volume of st r eam
p = St at ic (flowing) pr essur e of st r eam
G = Mass flow r at e per unit ar ea
f = Fr ict ion fact or
D = Inside diamet er of pipe
L = Equivalent pipe lengt h
g = Acceler at ion due t o gr avit y
sin Φ = Ver t ical r ise/equivalent pipe lengt h
Unit Oper at ion Models 10-21
Ver sion 10
Chapter 10
Φ r epr esent s t he physical angle of t he pipe wit h r espect t o t he hor izont al only if
t he equivalent pipe lengt h is t he same as t he physical flow pat h lengt h (t hat is,
only pipe, no fit t ings or ot her r esist ances). The pot ent ial ener gy t er m in t he
equat ion assumes t hat t he ver t ical elevat ion is dist r ibut ed evenly along t he
ent ir e equivalent lengt h.
For example, you have only a single 20 met er lengt h of pipe t hat r ises a t ot al of
six met er s, t hen
sin . Φ · ·
6
20
0 3
If t he same syst em also includes a fit t ing r esist ance of 5 equivalent met er s, t hen:
sin . Φ ·
+
·
6
20 5
0 24
Equat ion (1) applies t o any flow syst em (all vapor , non -flashing liquid, flashing
t wo-phase, non-flashing t wo-phase, et c.). All t hat is needed t o solve t he equat ion
is t he pr oper r elat ionship bet ween t he pr essur e (p) and t he st r eam specific
volume ( υ ). This r elat ionship is det er mined by t he t ype of const r aint chosen.
For adiabat ic flow, t he defining equat ion is:
H KE PE CONSTANT + + ·
Wher e:
H = St r eam ent halpy
KE = Kinet ic ener gy of st r eam
PE = Pot ent ial ener gy of st r eam
Bet ween point s 1 and 2:
H KE PE H KE PE
1 1 1 2 2 2
+ + · + +
Thus:
H H KE PE
2 1
· − − ∆ ∆
ASPEN PLUS flash r out ines can be used t o calculat e ent halpy at point 2.
10-22 Unit Oper at ion Models
Ver sion 10
Pressure
Relief
Nozzle Flow
ASPEN PLUS calculat es nozzle flow by t reat ing t he flow as adiabat ic t hrough a
per fect nozzle which has no fr ict ion losses and is shor t enough so t hat any pot ent ial
ener gy effect s can be neglect ed. The act ual flow is t hen calculat ed by applying a
cor r ect ion fact or (t he flow coefficient , Cd) t o t he flow calculat ed as if t he nozzle
behaved as per fect . Fr ict ionless flow is descr ibed by:
udu dp + · υ 0 (2)
Wher e:
u = St r eam linear velocit y
υ = Specific volume of st r eam
For adiabat ic flow:
d U PV
u
PE + + +
¸
¸

_
,
·
2
2
0
Wher e:
U = Int er nal ener gy
PV = Pr essur e-volume pr oduct
Neglect ing PE, and combining t he definit ion of ent halpy (H = U + PV) int o t his
equat ion gives:
dH udu + · 0 (3)
Combining (2) and (3) gives:
dH dp ·υ (4)
By definit ion:
dH dp ·υ (5)
(4) and (5) yield:
Tds · 0
or
ds · 0
Thus, adiabat ic fr ict ionless flow is isent r opic.
Unit Oper at ion Models 10-23
Ver sion 10
Chapter 10
The flow equat ion (2) can be int egr at ed t o descr ibe t he flow t hr ough a per fect
nozzle as follows:
Let p
0
= The upst r eam st agnat ion pr essur e wher e t he velocit y is zer o (u
0
= 0).
Let p
1
= The pr essur e in t he nozzle t hr oat at which t he flow is acceler at ed t o
velocit y u.
Thus, t he int egr at ed for m of (2) becomes:
1
2
2
01
1
u dp
p
p
· −

υ
which can be r e-wr it t en (not ing t hat u = G υ ):
G dp
p
p
2
1
2
2
0
1
υ υ · −

(6)
Equat ion (6) pr ovides t he means t o calculat e t he flow r at e t hr ough a per fect
nozzle given t he upst r eam st agnat ion pr essur e and t he pr oper p-v r elat ionship
(which is isent r opic). As one int egr at es (6) fr om p
0
t o p
1
, a maximum G indicat es
t hat t he flow has become choked at t he cur r ent value of p. (6) also ser ves as a
met hod for conver t ing bet ween st agnat ion and st at ic pr essur es at any point in
t he flow syst em (pipe or nozzle).
Calculati on and Convergence Methods
ASPEN PLUS uses t he same equat ions used t o model t he safet y r elief valve as t o
model t he conver sion fr om st agnat ion t o flowing pr essur e and back again. To be
complet ely accur at e, t he valve should be modeled as in equat ion (6) in t he Nozzle
Flow sect ion, this chapter. This model r equir es t hat const ant ent r opy flashes be
per for med at each point in t he int egr at ion of equat ion (6). This is a ver y t ime
consuming calculat ion, so sever al opt ions ar e pr ovided t o speed up t he calculat ions.
Fir st , you can choose t o do const ant ent halpy flashes r at her t han const ant ent r opy
flashes t hr ough t he nozzle. This speeds up t he calculat ions by an or der of
magnit ude, since t he const ant ent r opy flash is modeled by a ser ies of const ant
ent halpy flashes converging on ent ropy.
ASPEN PLUS also pr ovides a shor t cut met hod t o calculat e molar volume as a
funct ion of pr essur e dur ing t he nozzle int egr at ion. This met hod was developed by
L. L. Simpson
1
and gives ver y good r esult s. Inst ead of doing a flash calculat ion t o
calculat e t he molar volume at each point in t he int egr at ion, t wo flashes ar e done
at t he st ar t and par amet er s ar e calculat ed which allow you t o calculat e t he molar
volume at ot her pr essur es wit hout doing flashes.
10-24 Unit Oper at ion Models
Ver sion 10
Pressure
Relief
Vessel Insulati on Credi t Factor
When Fir e St andar d API-520 or API-2000 is used, you may claim an insulat ion
cr edit fact or calculat ed fr om t he for mula:
( )
F
k Tf
t
·
− 1660
21000
Wher e:
k = Ther mal conduct ivit y of insulat ion, in Br it ish t her mal unit s per
hour per squar e foot per degr ee Fahr enheit per inch at mean
t emper at ur e.
Tf = Temper at ur e of vessel cont ent s at r elieving condit ions, in degr ees
Fahr enheit .
t = Thickness of insulat ion, in inches.
Assuming a k value of 4.0, and Tf of 0.0, t he following t able, which was t aken
fr om API-2000, gives values of F for var ious values of insulat ion t hickness:
Insulation thickness (t) F Factor
6 inches (152 millimeters) 0.05
8 inches (203 millimeters) 0.037
10 inches (254 millimeters) 0.03
12 inches (305 millimeters)
or more
0.025
Unit Oper at ion Models 10-25
Ver sion 10
Chapter 10
References
Simpson, L.L., "Est imat e Two-Phase Flow in Safet y Devices," Chemical
Engineering, August , 1991, pp. 98-102.
Addi ti onal Readi ng
"Sizing, Select ion, and Inst allat ion of Pr essur e-Relieving Devices in Refiner ies"
Par t I - Sizing and Select ion, API Recommended Pr act ice 520, Amer ican
Pet r oleum Inst it ut e, 1220 L St r eet Nor t hwest , Washingt on, D.C. 20005.
"Vent ing At mospher ic and Low Pr essur e St or age Tanks," (Non-r efr iger at ed and
Refr iger at ed), API St andar d 2000, Amer ican Pet r oleum Inst it ut e, 1220 L St r eet
Nor t hwest , Washingt on, D.C. 20005.
y y y y
10-26 Unit Oper at ion Models
Ver sion 10
Pressure
Relief
Unit Oper at ion Models A-1
Ver sion 10
Appendix A
A Sizing and Rating for
Trays and Packings
ASPEN PLUS has ext ensive capabilit ies t o size, r at e, and per for m pr essur e dr op
calculat ions for t r ayed and packed columns. Use t he following Tr ay/Packing for ms
t o ent er specificat ions:
• Tr aySizing
• Tr ayRat ing
• PackSizing
• PackRat ing
These capabilit ies ar e available in t he following column unit oper at ion models:
• RadFr ac
• Mult iFr ac
• Pet r oFr ac
You can choose fr om t he following five commonly-used t r ay t ypes:
• Bubble caps
• Sieve
• Glit sch Ballast
®
• Koch Flexit r ay
®
• Nut t er Float Valve
ASPEN PLUS can model a var iet y of r andom packings. You can also use any of
t he following t ypes of st r uct ur ed packings:
• Goodloe
®
• Glit sch Gr id
®
• Nor t on Int alox St r uct ur ed Packing
• Sulzer BX, CY, Mellapak, and Ker apak
• Koch Flexipac, Flexer amic, Flexigr id
A-2 Unit Oper at ion Models
Ver sion 10
Sizing and
Rating for
Trays and
Packings
For sizing and r at ing calculat ions, ASPEN PLUS divides a column int o sect ions.
Each sect ion can have a differ ent t r ay t ype, packing t ype, and diamet er . The t r ay
det ails can var y fr om sect ion t o sect ion. A column can have an unlimit ed number
of sect ions. In addit ion, you can size and r at e t he same sect ion wit h differ ent
t ypes of t r ays and packings.
The calculat ions ar e based on vendor -r ecommended pr ocedur es whenever t hese
ar e available. When vendor pr ocedur es ar e not available, well-est ablished
lit er at ur e met hods ar e used.
ASPEN PLUS calculat es sizing and per for mance par amet er s such as:
• Column diamet er
• Flooding appr oach or appr oach t o maximum capacit y
• Downcomer backup
• Pr essur e dr op
These par amet er s ar e based on:
• Column loadings
• Tr anspor t pr oper t ies
• Tr ay geomet r y
• Packing char act er ist ics
You can use t he comput ed pr essur e dr op t o updat e t he column pr essur e pr ofile.
Si ngle-Pass and Multi -Pass Trays
You can use t he column models in ASPEN PLUS t o:
• Size one- and t wo-pass t r ays
• Rat e t r ays wit h up t o four passes
Schemat ics of one-, t wo-, t hr ee-, and four -pass t r ays ar e shown in t he next four
figur es. ASPEN PLUS per for ms and r epor t s r at ing calculat ions for all panels.
When specifying Weir height s, cap posit ioning, and number of valves:
For Specify
One-pass tray A single value
Two-pass tray Up to two values, one for each panels A and B
Three-pass tray Up to three values, one for each panel (A, B and C)
Four-pass tray Up to four values, one for each panel (A, B, C and D)
Unit Oper at ion Models A-3
Ver sion 10
Appendix A
The values for t he number of caps and number of valves applies for each panel.
For example, t wo-pass t r ays have t wo A panels for t r ay AA, and t wo B panels for
t r ay BB. Ther efor e, t he number of caps per panel is t he number of caps per t r ay
divided by t wo. Similar consider at ion is necessar y for t hr ee- and four -pass t r ays.
If you specify only one value for mult i-pass t r ays, t hat value applies t o all panels.
When specifying downcomer clear ance and widt h:
For Specify
One-pass tray A single value for the side downcomer
Two-pass tray Up to two values, one for the side downcomer, one for the center downcomer
Three-pass tray Up to two values, one for the side downcomer, one for the off-center downcomer
Four-pass tray Up to three values: one for the side downcomer, one for the center downcomer, and one for
the off-center downcomer
A-4 Unit Oper at ion Models
Ver sion 10
Sizing and
Rating for
Trays and
Packings
DC-WTOP
WEIR-HT
DC-HT
DC-
WBOT
O
u
t
l
e
t

W
e
i
r

L
e
n
g
t
h
Column Diameter
DC-CLEAR
A One-Pass Tray
Unit Oper at ion Models A-5
Ver sion 10
Appendix A
DC-
WTOP
DC-CLEAR
DC-CLEAR
Panel A
Panel B
WEIR-HT
DC-HT
DC-HT
DC-
WBOT
DC-
WBOT
Tray AA
Side
Downcomer
Tray BB
Center
Downcomer
Below
CTR. DC
CTR. DC
~
~
~
~
~
~
DC-WTOP
Column Diameter
O
u
t
l
e
t

W
e
i
r

L
e
n
g
t
h
A Two-Pass Tray
A-6 Unit Oper at ion Models
Ver sion 10
Sizing and
Rating for
Trays and
Packings
DC-WTOP
DC-WBOT
DCOF
Panel A. B. C.
Panel A. B. C.
Panel C. B. A.
B A C
DC-WTOP DC-WTOP
B A
OFF-CTR.DC
OFF-CTR.DC
WEIR-HT
DC-HT
DC-
CLEAR
Column Diameter
O
u
t
l
e
t

W
e
i
r

L
e
n
g
t
h
A Three-Pass Tray
Unit Oper at ion Models A-7
Ver sion 10
Appendix A
OFF-CTR.DC OFF-CTR.DC
SIDE DC
CTR.DC
DC-WTOP DC-WTOP
WEIR-HT
DC-HT
DC-WBOT DC-WBOT
Panel A. B.
Panel C. D.
Panel A. B.
DCOF
DC-
CLEAR
D D
C
A A B B
Column Diameter
O
u
t
l
e
t

W
e
i
r

L
e
n
g
t
h
A Four-Pass Tray
A-8 Unit Oper at ion Models
Ver sion 10
Sizing and
Rating for
Trays and
Packings
Modes of Operati on for Trays
ASPEN PLUS pr ovides t wo modes of oper at ion for t r ays:
• Sizing
• Rat ing
In eit her mode, you can divide a column int o any number of sect ions. Each
sect ion can have a differ ent column diamet er , t r ay t ype, and t r ay geomet r y. You
can r e-r at e or r e-design t he same sect ion wit h differ ent t r ay t ypes and/or
packings.
ASPEN PLUS per for ms t he calculat ions one sect ion at a t ime. In sizing mode,
t he column model det er mines t r ay diamet er t o sat isfy t he flooding appr oach you
specified for each st age. The lar gest diamet er is select ed.
In r at ing mode, you specify t he column sect ion diamet er and ot her t r ay det ails.
For each st age, t he column model calculat es t r ay per for mance and hydr aulic
infor mat ion such as flooding appr oach, downcomer backup, and pr essur e dr op.
Floodi ng Calculati ons for Trays
For bubble caps and sieve t r ays, ASPEN PLUS pr ovides t wo pr ocedur es for
calculat ing t he appr oach t o flooding. The fir st pr ocedur e is based on t he Fair
1
met hod. The second uses t he Glit sch pr ocedur e
2
for ballast t r ays. This pr ocedur e
de-r at es t he calculat ed flooding appr oach by 15% for bubble caps and by 5% for
sieve t r ays. All ot her hydr aulic calculat ions ar e based on t he Fair and Bolles
1,3
met hods. For sizing calculat ions, you can also supply your own calculat ion
pr ocedur e:
= Specify On form
Flooding calculation method = USER TraySizing or PackSizing
Subroutine name UserSubroutines
For valve t r ays (Glit sch Ballast , Koch Flexit r ay, and Nut t er Float Valve t r ays),
ASPEN PLUS uses pr ocedur es fr om vendor design bullet ins.
2,4,5
Unit Oper at ion Models A-9
Ver sion 10
Appendix A
Bubble Cap Tray Layout
RadFr ac uses cap diamet er only for t r ay t ype CAPS. Valid ent r ies ar e:
Cap Diameter Default Weir Height
Inches Millimeters Inches Millimeters
3 76.2 2.75 69.85
4 101.6 3.00 76.20
6 152.4 3.25 82.55
Use t he cap diamet er t o r et r ieve cap char act er ist ics based on st andar d cap
designs.
For columns with diameter The default is
Up to 48 in (1219.2 mm). 3 in (76.2 mm)
Greater than 48 in (1219.2
mm)
4 in (101.6 mm)
The following t able list s st andar d cap designs:
Materials Stainless Steel
Nominal Size, in 3 4 6
Cap
U.S. Standard gauge 16 16 16
OD, in 2.999 3.999 5.999
ID, in 2.875 3.875 5.875
Height overall, in 2.500 3.000 3.750
Number of slots 20 26 39
Type of slots Trapezoidal Trapezoidal Trapezoidal
Slot width, in
Bottom 0.333 0.333 0.333
Top 0.167 0.167 0.167
Slot height, in 1.000 1.250 1.500
Height shroud ring, in 0.250 0.250 0.250
continued
A-10 Unit Oper at ion Models
Ver sion 10
Sizing and
Rating for
Trays and
Packings
Materials Stainless Steel
Nominal size, in 3 4 6
Riser
U.S. Standard gauge 16 16 16
OD, in 1.999 2.624 3.999
ID, in 1.875 2.500 3.875
Standard heights, in
0.5-in skirt height 2.250 2.500 2.750
1.0-in skirt height 2.750 3.000 3.250
1.5-in skirt height 3.250 3.500 3.750
Riser-slot seal, in 0.500 0.500 0.500
Cap areas, in
Riser 2.65 4.80 11.68
Reversal 4.18 7.55 17.80
Annular 3.35 6.38 14.55
Slot 5.00 8.12 14.64
Cap 7.07 12.60 28.30
Area ratios
Reversal/riser 1.58 1.57 1.52
Annular/riser 1.26 1.33 1.25
Slot/riser 1.89 1.69 1.25
Slot/cap 0.71 0.65 0.52
Pressure Drop Calculati ons for Trays
Nor mally, RadFr ac, Mult iFr ac, and Pet r oFr ac t r eat t he st ages you ent er as
equilibr ium st ages. You must ent er over all efficiency t o:
• Conver t t he calculat ed pr essur e dr op per t r ay t o pr essur e dr op per
equilibr ium st age
• Comput e t he column pr essur e dr op
If you do not ent er over all efficiency, t hese models assume 100% efficiency. If you
specify Mur phr ee or vapor izat ion efficiency, you should not ent er over all
efficiency. RadFr ac, Mult iFr ac, and Pet r oFr ac will t r eat t he st ages as act ual
t r ays.
Unit Oper at ion Models A-11
Ver sion 10
Appendix A
Foami ng Calculati ons for Trays
Suggest ed values for Ballast t r ays ar e:
Service System Foaming Factor
Non-foaming systems 1.00
Fluorine systems 0.90
Moderate foamers, such as oil
absorbers, amine, and glycol
regenerators
0.85
Heavy foamers, such as
amine and glycol absorbers
0.73
Severe foamers, such as MEK
units
0.60
Foam stable systems, such as
caustic regenerators
0.30
Suggest ed values for Flexit r ays ar e:
Service System Foaming Factor
Depropanizers 0.85-0.95
Absorbers 0.85
Vacuum towers 0.85
Amine regenerators 0.85
Amine contactors 0.70-0.80
High pressure deethanizers 0.75-0.80
Glycol contactors 0.70-0.75
Suggest ed values for Float valve t r ays ar e:
Service System Foaming Factor
Non foaming 1.00
Low foaming 0.90
Moderate foaming 0.75
High foaming 0.60
A-12 Unit Oper at ion Models
Ver sion 10
Sizing and
Rating for
Trays and
Packings
Packed Columns
The calculat ions for packings ar e based on t he height equivalent of a t heor et ical
plat e (HETP). HETP=packed height /number of st ages. The HETP is r equir ed.
You can pr ovide it using one of t he following met hods:
• Ent er it dir ect ly on t he PackSizing or PackRat ing for ms
• Ent er t he packing height on t he same for m
Packi ng Types and Packi ng Factors
ASPEN PLUS can handle a wide var iet y of packing t ypes, including differ ent
sizes and mat er ials fr om var ious vendor s.
For r andom packings, t he calculat ions r equir e packing fact or s. ASPEN PLUS
st or es packing fact or s for t he var ious sizes, mat er ials, and vendor s allowed in a
dat abank. If you pr ovide t he following infor mat ion, ASPEN PLUS r et r ieves t hese
packing fact or s aut omat ically for calculat ions:
• Packing t ype
• Size
• Mat er ial
You may specify t he vendor on t he PackSizing or PackRat ing for m.
Is the vendor
specified? ASPEN PLUS uses
Yes The packing factor published by the vendor
No A value compiled from various literature sources
†,††

Fair, J .R., et al., "Liquid-Gas S ystems," Perry’s Chemical Engineers’ Handbook, R.H. Perry and D.
Green, ed., 6th ed. (New York: McGraw Hill, 1984).
††
Tower Packings, Bulletin No. 15 (Tokyo: Tokyo S pecial Wire Netting Company).
You can ent er t he packing fact or dir ect ly t o over r ide t he built -in values. ASPEN
PLUS uses t he packing t ype t o select t he pr oper calculat ion pr ocedur e.
Modes of Operati on for Packi ng
The column models have t wo modes of oper at ion for packing:
• Sizing
• Rat ing
Unit Oper at ion Models A-13
Ver sion 10
Appendix A
In eit her mode, you can divide a column int o any number of sect ions. Each
sect ion can have differ ent packings. You can r e-r at e or r e-design t he same sect ion
wit h differ ent packings and/or t r ay t ypes. ASPEN PLUS per for ms t he
calculat ions one sect ion at a t ime.
In sizing mode, ASPEN PLUS det er mines t he column sect ion diamet er fr om:
• The appr oach t o t he maximum capacit y
• A design capacit y fact or you specify
You can impose a maximum pr essur e dr op per unit height (of packing or per
sect ion) as an addit ional const r aint . Once ASPEN PLUS has det er mined t he
column sect ion diamet er , it r e-r at es t he st ages in t he sect ion wit h t he calculat ed
diamet er .
In r at ing mode, you specify t he column diamet er . ASPEN PLUS calculat es t he
appr oach t o maximum capacit y and pr essur e dr op.
Maxi mum Capaci ty Calculati ons for Packi ng
ASPEN PLUS pr ovides sever al met hods for maximum capacit y calculat ions. For
r andom packings you can use:
Method For this type of packings
Mass Transfer, Ltd. (MTL)

MTL
Norton
††
Norton IMTP
Koch
†††
Koch
Eckert All other random packings

Cascade Mini-Ring Design Manual (Tokyo: Dodwell & Company, Ltd., 1984).
††
Intalox High-Performance S eparation S ystems, Bulletin IHP-1 (Akron: Norton Company, 1987).
†††
McNulty, K.J ., "Hydraulic Model for Packed Tower Design." Paper presented at the American Institute
of Chemical Engineers S pring Meeting in Houston, 1993.
For st r uct ur ed packings, ASPEN PLUS pr ovides vendor pr ocedur es for each t ype.
If you specify t he maximum capacit y fact or , ASPEN PLUS bypasses t he
maximum capacit y calculat ions.
The definit ion of appr oach t o maximum capacit y depends on t he t ype of packings.
A-14 Unit Oper at ion Models
Ver sion 10
Sizing and
Rating for
Trays and
Packings
For Nor t on IMTP and Int alox st r uct ur ed packings, appr oach t o maximum
capacit y r efer s t o t he fr act ional appr oach t o t he maximum efficient capacit y.
Efficient capacit y is t he oper at ing point at which efficiency of t he packing
det er ior at es due t o liquid ent r ainment . The efficient capacit y is appr oximat ely 10
t o 20% below t he flood point .
For Sulzer st r uct ur ed packings (BX, CY, Ker apak, and Mellapak), appr oach t o
maximum capacit y r efer s t o t he fr act ional appr oach t o maximum capacit y.
Maximum capacit y is t he oper at ing point at which a pr essur e dr op of 12 mbar /m
(1.47 in-wat er /ft ) of packing is obt ained. At t his condit ion, st able oper at ion is
possible, but t he gas load is higher t han t hat at which maximum separ at ion
efficiency is achieved.
The gas load cor r esponding t o t he maximum capacit y is 5 t o 10% below t he flood
point . Sulzer r ecommends a usual design r ange bet ween 0.5 and 0.8 for appr oach
t o flooding.
For all ot her packings, appr oach t o maximum capacit y r efer s t o t he fr act ional
appr oach t o t he flood point .
Because t her e ar e differ ent definit ions for appr oach t o maximum capacit y, sizing
r esult s ar e not on t he same basis for packings fr om differ ent vendor s, even when
you use t he same value for appr oach t o maximum capacit y. Dir ect per for mance
compar ison of packings fr om differ ent vendor s is not r ecommended.
The capacit y fact or is:
CS VS
V
L V
·

ρ
ρ ρ
Wher e:
CS = Capacit y fact or
VS = Super ficial velocit y of vapor t o packing
ρ
V = Densit y of vapor t o packing
ρ
L = Densit y of liquid fr om packing
Unit Oper at ion Models A-15
Ver sion 10
Appendix A
Pressure Drop Calculati ons for Packi ng
For r andom packings, ASPEN PLUS pr ovides sever al built -in met hods t o
comput e t he pr essur e dr op.
Vendor Pressure drop method
MTL Vendor

Norton Vendor procedure
††, †††,

Koch Vendor procedure
♦♦
Not specified Eckert GPDC
♦♦♦
, Norton GPDC
††, †††,

,

Prahl GPDC
§
, Tsai GPDC
§§

Cascade Mini-Ring Design Manual (Tokyo: Dodwell & Company, Ltd., 1984).
††
Dolan, M.J . and S trigle, R.F., "Advances in Distillation Column Design," CEP, Vol.76, No.11
(November 1980), pp. 78-83.
†††
Intalox High-Performance S eparation S ystems, Bulletin IHP-1 (Akron: Norton Company, 1987).

Intalox Metal Tower Packing, Bulletin IM82 (Akron: Norton Company, 1979).
♦♦
McNulty, K.J ., "Hydraulic Model for Packed Tower Design." Paper presented at the American Institute
of Chemical Engineers S pring Meeting in Houston, 1993.
♦♦♦
Fair, J .R., et al., "Liquid-Gas S ystems," Perry’s Chemical Engineers’ Handbook, R.H. Perry and D.
Green, ed., 6th ed. (New York: McGraw Hill, 1984), pp. 18-22.
§
McNulty, K.J . and Hsieh, C.L., "Hydraulic Performance and Efficiency of Koch Flexipac S tructured
Packings." Paper presented at American Institute of Chemical Engineers Annual Meeting in Los
Angeles, 1982.
§§
Tsai, T.C. "Packed Tower Program Has S pecial Features," Oil and Gas J ournal, Vol. 83 No. 35
(S eptember, 1985), p. 77.
If you specify t he vendor , ASPEN PLUS uses t he vendor pr ocedur e. If you do not
specify t he vendor , you can choose one of four differ ent pr essur e dr op met hods. If
you do not specify a met hod, ASPEN PLUS uses t he Ecker t gener alized pr essur e
dr op cor r elat ion (GPDC).
A-16 Unit Oper at ion Models
Ver sion 10
Sizing and
Rating for
Trays and
Packings
For st r uct ur ed packings, vendor pr essur e dr op cor r elat ions ar e available for all
packings:
Packing type Pressure drop method
Goodloe Vendor procedure

Glitsch Grid Vendor procedure
††
Norton Intalox Structured Packings Vendor procedure
†††
Sulzer BX, CY, Mellapak, and Kerapak Vendor procedure

Koch Flexipac, Flexeramic, and Flexigrid Vendor procedure
♦♦

Goodloe, Bulletin 520A (Dallas: Glitsch, Inc., 1981).
††
Glitsch Grid-Grid/ Ring Combination Bed, Bulletin No. 7070 (Dallas: Glitsch, Inc., 1978).
†††
Norton Company, private communication, 1992.

S piegel, L. and Meier, W., "Correlations of the Performance Characteristics of the Various Mellapak
Types." Paper presented at the 4th International S ymposium of Distillation and Absorption, Brighton,
England, 1987.
♦♦
McNulty, K.J ., "Hydraulic Model for Packed Tower Design." Paper presented at the American Institute
of Chemical Engineers S pring Meeting in Houston, 1993.
Li qui d Holdup Calculati ons for Packi ng
ASPEN PLUS per for ms liquid holdup calculat ions for bot h r andom and
st r uct ur ed packings. The calculat ions use t he St ichlmair
6
cor r elat ion. The
St ichlmair cor r elat ion r equir es t hese par amet er s:
• Packing void fr act ion and sur face ar ea
• Thr ee St ichlmair cor r elat ion const ant s
ASPEN PLUS pr ovides t hese par amet er s for a var iet y of packings in t he built -in
packing dat abank. If t hese par amet er s ar e missing for a par t icular packing,
ASPEN PLUS will not per for m liquid holdup calculat ions for t hat packing.
You can also ent er t hese par amet er s t o pr ovide missing values, or t o over r ide t he
dat abank values.
Unit Oper at ion Models A-17
Ver sion 10
Appendix A
Pressure Profi le Update
You can updat e t he pr essur e pr ofile using:
• Comput ed pr essur e dr ops for t he r at ing mode of bot h t r ays and packings
• The sizing mode of packings
If you choose t o updat e t he pr essur e pr ofile, t he column models solve t he t r ay or
packing calculat ion pr ocedur es simult aneously wit h t he column-descr ibing
equat ions. For updat ing t he pr essur e pr ofile dur ing calculat ions check Updat e
Sect ion Pr essur e Pr ofile on t he following for ms:
• Tr ayRat ing
• PackSizing
• PackRat ing
Also, you can fix t he pr essur e at t he t op or bot t om of t he column and you can
specify t his opt ion on t he above for ms. The st age pr essur es become addit ional
var iables. ASPEN PLUS uses t he pr essur e specificat ions given on t he
Pr es-Pr ofile for m t o:
• Init ialize t he column pr essur e pr ofile
• Fix t he pr essur e dr op of st ages for which t he pr essur e pr ofile is not updat ed
Physi cal Property Data Requi rements
Sever al physical pr oper t ies t hat ar e not nor mally used for heat and mat er ial
balance calculat ions ar e r equir ed for column sizing and r at ing. These pr oper t ies
ar e:
• Liquid and vapor densit ies
• Liquid sur face t ension
• Liquid and vapor viscosit ies
The physical pr oper t y met hod t hat you specify for a unit oper at ion model must be
able t o pr ovide t he r equir ed pr oper t ies. In addit ion, t he physical pr oper t y
par amet er s needed t o calculat e t he r equir ed pr oper t ies must be available for all
component s in t he column. See t he descr ipt ions of pr oper t ies in t he AS PEN
PLUS User Guide Volume 1, for det ails on specifying physical pr oper t y met hods
and det er mining pr oper t y par amet er r equir ement s.
A-18 Unit Oper at ion Models
Ver sion 10
Sizing and
Rating for
Trays and
Packings
References
1. Fair , J .R., et al., “Liquid-Gas Syst ems,” Perry’s Chemical Engineers'
Handbook, R.H. Per r y and D. Gr een, ed. 6
t h
ed., New Yor k: McGr aw Hill,
1984.
2. Ballast Tray Design Manual , Glit sch, Inc., Bullet in No. 4900, 3
r d
ed.,
Dallas:1980.
3. Smit h, B.D., “Tr ay Hydr aulics: Bubble Cap Tr ays” and “Tr ay Hydr aulics:
Per for at ed Tr ays,” Design of Equilibrium S tage Processes, New Yor k:
McGr aw Hill, 1963, pp. 474-569.
4. Koch Flexitray Design Manual, Koch Engineer ing Co., Inc. Bullet in No. 90,
Wichit a.
5. Nutter Float Valve Design Manual , Tulsa: Nut t er Engineer ing Co., 1976.
6. St ichlmair , J ., et al., "Gener al Model for Pr edict ion of Pr essur e Dr op and
Capacit y of Count er cur r ent Gas/Liquid Packed Columns," Gas S eparation
and Purification, Vol. 3 (1989), p. 22.
y y y y
Unit Oper at ion Models Index-1
Ver sion 10
Index
A
Absorbers
MultiFrac 4-30
RadFrac 4-23
RateFrac 4-62
Aerotran
flash specifications 3-27
flowsheet connectivity 3-26
overview 3-26
physical properties 3-28
solids 3-28
specifying 3-27
AGA method
Pipe model 6-39
Pipeline 6-51
Air separation
MultiFrac 4-30
Air-cooled heat exchangers
Aerotran 3-26
Algorithms
convergence 4-22, 4-25, 4-27, 4-28, 4-42, 4-58
inside-out 4-26, 4-43
Newton 4-22, 4-26, 4-42, 4-44
nonideal 4-22, 4-26
standard 4-26, 4-42, 4-43
sum-rates 4-22, 4-26, 4-42, 4-43
Angel-Welchon-Ros correlation
Pipe model 6-38
Pipeline 6-49
ASME method
Compr 6-10
MCompr 6-15
Azeotropic distillation
RadFrac 4-22
B
Baffle geometry
HeatX 3-13
Baghouses
FabFl 8-23
resistance coefficients 8-25
separation efficiency 8-26
Ballast trays
values A-11
Batch reactors
RBatch 5-25
Beggs and Brill correlation
Pipe model 6-37
Pipeline 6-48
Beggs and Brill correlation parameters
Pipe model 6-38
Pipeline 6-50
B-JAC
Aerotran interface 3-26
Hetran interface 3-23
Bolles method
tray flooding calculations A-8
Bond work index (BWI)
Crusher 8-14, 8-17
Brake horsepower
Compr 6-12
MCompr 6-17
Bubble cap trays
cap diameter A-9
C
Cavitation index
Valve model 6-29
CCD
component attributes 8-66
flowsheet connectivity 8-64
medium temperature 8-67
mixing efficiency 8-66
overview 8-64
profiles 8-66
pseudostreams 8-65
specifying 8-65
Centrifuge filters
CFuge 8-52
CFuge
filter cake 8-53
filtrate flow rate 8-54
flowsheet connectivity 8-52
overview 8-52
Index-2 Unit Oper at ion Models
Ver sion 10
CFuge (continued)
pressure drop 8-54
rating 8-53
separation efficiency 8-55
sizing 8-53
specifying 8-53
Chilton-Colburn analogy
RateFrac 4-77, 4-84
ClChng
flowsheet connectivity 7-6
overview 7-6
specifying 7-6
stream class change 7-6
Coal
grinding 8-18
Column configuration
RateFrac 4-70
Columns
Distl 4-6
DSTWU 4-3
Extract 4-87
MultiFrac 4-30
packings A-12
PetroFrac 4-48
physical property requirements A-17
pressure drop calculations A-1
RadFrac 4-11, 4-16
RateFrac 4-62
rating A-1
SCFrac 4-8
sizing A-1
Component ratio
RateFrac 4-75
Component separators
Sep 2-12
Sep2 2-14
Compr
ASME method 6-10
flowsheet connectivity 6-9
GPSA method 6-10
isentropic efficiency 6-12
mechanical efficiency 6-12
Mollier method 6-10
net work load 6-10
overview 6-9
performance curves 6-10
polytropic efficiency 6-11
specifying 6-10
steam pressure 6-9
Compressors
Compr 6-9
Heater model 3-2
Compressors (continued)
MCompr 6-13
Condensers
PetroFrac 4-51
RateFrac 4-71
Connecting streams
RateFrac 4-70
Continuous stirred tank reactor
RCSTR 5-16
Convergence
algorithms 4-42, 4-43
RateFrac 4-76
Convergence algorithms
PetroFrac 4-58
RadFrac 4-25
Coolers
Heater model 3-2
RadFrac 4-17
RateFrac 4-73
Crude units
SCFrac 4-8
Crusher
Bond work index (BWI) 8-14, 8-17
breakage functions 8-14
flowsheet connectivity 8-13
Hardgrove grindability index (HGI) 8-14, 8-18
overview 8-13
power requirement 8-16
primary crusher 8-16
reduction ratios 8-16
secondary crusher 8-16
selection functions 8-14
specifying 8-14
Cryogenic applications
RadFrac 4-23
Crystallizer
crystal growth rate 8-7
crystal nucleation rate 8-8
flowsheet connectivity 8-3
magma recirculation 8-5
overview 8-3
particle size distribution (PSD) 8-9, 8-10
population balance 8-8
recirculation 8-5
saturation calculation 8-6
solubility 8-5
specifying 8-4
supersaturation 8-6
Cyclone
design calculations 8-28
diameter calculation 8-31
dimension ratios 8-31
Unit Oper at ion Models Index-3
Ver sion 10
Cyclone (continued)
dimensions 8-28, 8-32
efficiency correlations 8-29
flowsheet connectivity 8-27
geometry 8-32
Leith and Licht correlation 8-29
operating ranges 8-29
overview 8-27
pressure drop 8-30
rating calculations 8-28
separation efficiency 8-29
Shepherd and Lapple correlation 8-29
solids loading correction 8-34
specifying 8-28
vane constant 8-32
D
Darcy correlation
Pres-Relief 10-12
Decanter model
flowsheet connectivity 2-8
Gibbs free energy 2-10
KLL coefficients 2-10
liquid phases 2-10
liquid-liquid distribution coefficients 2-10
overview 2-8
phase-splitting methods 2-10
separation efficiencies 2-11
solids entrainment 2-11
specifying 2-9
Decanters
CCD 8-64
Decanter model 2-8
Flash3 2-5
RadFrac 4-18, 4-29
Design mode
RateFrac 4-74
Design mode convergence
RadFrac 4-26
Design specification convergence
MultiFrac 4-44
DIERS calculations
Pres-Relief 10-18
Distillation
Distl 4-6
DSTWU 4-3
MultiFrac 4-30
RateFrac 4-62
SCFrac 4-8
Distl
Edmister approach 4-6
flowsheet connectivity 4-6
overview 4-6
specifying 4-7
DSTWU
flowsheet connectivity 4-4
Gilliland’s method 4-3
overview 4-3
reflux ratio 4-3
specifying 4-4
Underwood’s method 4-3
Winn’s method 4-3
Dukler correlation
Pipe model 6-37
Pipeline 6-48
Pres-Relief 10-12
Dupl
flowsheet connectivity 7-4
overview 7-4
specifying 7-5
Dynamic scenario algorithm
Pres-Relief 10-19
E
Eaton correlation
Pipe model 6-38
Pipeline 6-49
Edmister approach
Distl 4-6
Efficiencies
Compr 6-12
MCompr 6-16, 6-17
RadFrac 4-20
Electrostatic precipitators
ESP 8-40
Emergency relief vents (ERV)
Pres-Relief 10-15
Equilibrium constants
REquil 5-9
RGibbs 5-13
Equilibrium reactors
REquil 5-8
RGibbs 5-10
ESP
flowsheet connectivity 8-40
gas velocity 8-41, 8-44
operating range 8-41
overview 8-40
particle separation 8-42, 8-44
Index-4 Unit Oper at ion Models
Ver sion 10
ESP (continued)
power requirement 8-44
pressure drop 8-43
separation efficiency 8-42
specifying 8-41
Ethylene plant primary fractionators
MultiFrac 4-30
PetroFrac 4-48
Evaporators
Flash2 2-2
Flash3 2-5
Exchanger configuration
HeatX 3-11
Exchanger geometry
HeatX 3-5
Extract
flowsheet connectivity 4-87
overview 4-87
specifying 4-88
F
FabFl
calculation options 8-23
filtering time 8-24
flowsheet connectivity 8-23
operating ranges 8-24
overview 8-23
resistance coefficients 8-25
separation efficiency 8-26
specifying 8-23
Fabric filters
FabFl 8-23
Fair method
tray flooding calculations A-8
Feed furnaces
PetroFrac 4-54
Feed stream conventions
RateFrac 4-68
Feed streams
PetroFrac 4-53
Film coefficients
HeatX 3-10, 3-15
Filter model
filter cake characteristics 8-57
flowsheet connectivity 8-56
overview 8-56
pressure drop 8-58
separation efficiency 8-58
specifying 8-56
Filters
CFuge 8-52
FabFl 8-23
Filter model 8-56
Flanigan correlation
Pipe model 6-38
Pipeline 6-50
Pres-Relief 10-12
Flash tables
zone analysis 3-21
Flash2
electrolytes 2-4
flowsheet connectivity 2-2
overview 2-2
solids 2-4
specifying 2-3
Flash3
electrolytes 2-6
flowsheet connectivity 2-5
overview 2-5
solids 2-6
specifying 2-6
streams 2-5
Flashes
Flash2 2-2
Flash3 2-5
Flexitrays
values A-11
Float valve trays
values A-11
Fractionators
PetroFrac 4-48
Free-water calculations
MultiFrac 4-46
PetroFrac 4-60
RadFrac 4-20
RateFrac 4-74
FSplit
flowsheet connectivity 1-5
overview 1-5
specifying 1-6
G
Gas-solid separators
Cyclone 8-27
ESP 8-40
FabFl 8-23
VScrub 8-36
General purpose valves
Pres-Relief 10-13
Unit Oper at ion Models Index-5
Ver sion 10
Gibbs free energy
Decanter model 2-10
REquil 5-9
RGibbs 5-10
Gilliland’s correlation
DSTWU 4-3
Glitsch Ballast method
tray flooding calculations A-8
GPSA method
Compr 6-10
MCompr 6-15
H
Hagedorn-Brown correlation
Pipe model 6-37
Pipeline 6-49
Hardgrove grindability index (HGI)
Crusher 8-14, 8-18
Hazen-Williams method
Pipe model 6-40
Pipeline 6-52
Heat exchangers
Aerotran 3-26
computational structure 3-21
equations 3-8
Heater model 3-2
HeatX 3-5
Hetran 3-23
MHeatX 3-19
multistream 3-19
zone analysis 3-21
Heat transfer coefficient
HeatX 3-9
Heater model
electrolytes 3-4
flowsheet connectivity 3-3
overview 3-2
solids 3-4
specifying 3-3
Heaters
Heater model 3-2
MultiFrac 4-38
RadFrac 4-17
RateFrac 4-73
Heat-interstaged columns
MultiFrac 4-30
HeatX
baffle geometry 3-13
electrolytes 3-17
exchanger configuration 3-11
HeatX (continued)
exchanger geometry 3-5
film coefficients 3-10, 3-15
flash specifications 3-17
flowsheet connectivity 3-6
heat transfer coefficient 3-9
log-mean temperature difference 3-8
model correlations 3-15
nozzle geometry 3-15
option sets 3-17
overview 3-5
physical properties 3-17
pressure drop 3-13, 3-14, 3-15
pressure drop calculations 3-10, 3-15
rating calculations 3-5, 3-6, 3-7, 3-8, 3-9
shell-side film coefficient 3-13
solids 3-17
specifying 3-6
streams 3-6
TEMA shells 3-11
tube geometry 3-14
tube-side film coefficient 3-14
zone analysis 3-5
HETP
packings calculations A-12
RateFrac 4-75
Hetran
flash specifications 3-24
flowsheet connectivity 3-23
overview 3-23
physical properties 3-25
solids 3-25
specifying 3-24
Hughmark method
Pipe model 6-37
Pipeline 6-48
HyCyc
dimension ratios 8-49
dimensions 8-50, 8-51
feed splitting 8-48
flowsheet connectivity 8-45
geometry 8-50
operating ranges 8-46
overview 8-45
particle velocity 8-49
pressure drop correlation 8-50
rating 8-46
separation efficiency 8-47
sizing 8-46
solids separation 8-45
specifying 8-46
velocity correlation 8-49
Index-6 Unit Oper at ion Models
Ver sion 10
Hydraulic turbines
Pump model 6-2
Hydrocyclones
HyCyc 8-45
I
Inside-out algorithms
MultiFrac 4-43
RadFrac 4-26
Isentropic compressors
Compr 6-9, 6-12
MCompr 6-13
Isentropic turbines
Compr 6-9
MCompr 6-13
K
Kettle reboilers
RadFrac 4-16
Knock-out drums
Decanter model 2-8
Flash2 2-2
Flash3 2-5
L
Leith and Licht correlation
Cyclone 8-29
Liquid-liquid extraction
Extract 4-87
Liquid-solid separators
CFuge 8-52
Filter model 8-56
HyCyc 8-45
LNG exchanger
MHeatX 3-19
Lockhart-Martinelli correlation
Pipe model 6-37
Pipeline 6-49
Pres-Relief 10-12
Log-mean temperature
HeatX 3-8
M
Manipulators
ClChng 7-6
Dupl 7-4
Manipulators (continued)
Mult 7-2
MCompr
ASME method 6-15
brake horsepower 6-17
flow coefficient 6-19
flowsheet connectivity 6-14
GPSA method 6-15
head coefficient 6-18
isentropic efficiency 6-16
mechanical efficiency 6-17
Mollier method 6-15
overview 6-13
parasitic pressure loss 6-17
polytropic efficiency 6-16
specific diameter 6-18
specific speed 6-18
specifying 6-14, 6-15
MHeatX
computational structure 3-21
electrolytes 3-22
flash tables 3-21
flowsheet connectivity 3-19
LNG exchanger 3-19
overview 3-19
solids 3-22
specifying 3-20
zone analysis 3-19, 3-20, 3-21
Mixer model
flowsheet connectivity 1-2
overview 1-2
specifying 1-3
Mixers
Heater model 3-2
Mixer model 1-2
Model correlations
HeatX 3-15
Mollier method
Compr 6-10
MCompr 6-15
Mult
flowsheet connectivity 7-2
overview 7-2
specifying 7-3
MultiFrac
algorithms 4-43
connecting streams 4-36
convergence algorithms 4-42, 4-43
design mode 4-42
design specification convergence 4-44
efficiencies 4-41
ethylene plant primary fractionator 4-30
Unit Oper at ion Models Index-7
Ver sion 10
MultiFrac (continued)
feed stream conventions 4-35
flow rate 4-38, 4-42
flow ratio 4-40
flowsheet connectivity 4-32
free-water calculations 4-46
heaters 4-38
initialization methods 4-45
Murphree efficiency 4-41
Newton algorithm 4-44
overview 4-30
packings 4-47
physical properties 4-46
property methods 4-46
rating mode 4-42
solids 4-46
specifying 4-33, 4-34
stream definitions 4-34
streams 4-32, 4-33, 4-35, 4-36, 4-42
sum-rates algorithm 4-43
trays 4-47
vaporization efficiency 4-41
Multistage fractionation units
MultiFrac 4-30
Murphree efficiency
MultiFrac 4-41
PetroFrac 4-57
RadFrac 4-21
RateFrac 4-65, 4-75
N
Napthali-Sandholm algorithm
RadFrac 4-26
Nested convergence
RadFrac 4-27
Newton algorithm
MultiFrac 4-44
RadFrac 4-22, 4-26
RateFrac 4-76
Nonequilibrium fractionation
RateFrac 4-62
Nozzle geometry
HeatX 3-15
O
Oliphant method
Pipe model 6-39
Pipeline 6-51
Orkiszewski correlation
Pipe model 6-37
Pipeline 6-49
P
Packings
calculations A-12
capacity calculations A-13
liquid holdup calculations A-16
MultiFrac 4-47
PetroFrac 4-61
pressure drop calculations A-15
pressure profile A-17
RateFrac 4-70
rating A-12
sizing A-12
specifying A-1
Stichlmair correlation A-16
types A-1, A-12, A-13
Panhandle methods
Pipe model 6-40
Pipeline 6-51
Particle separation
ESP 8-42, 8-44
PetroFrac
condensers 4-51
convergence algorithms 4-58
design mode 4-59
efficiencies 4-57
ethylene plant primary fractionator 4-48
feed furnace 4-51, 4-54
feed streams 4-53
flowsheet connectivity 4-49
free-water calculations 4-60
liquid runback 4-56
main column 4-50, 4-51
Murphree efficiency 4-57
overview 4-48
packings 4-61
physical properties 4-60
property methods 4-60
pumparounds 4-56
rating mode 4-59
reboilers 4-51
side strippers 4-51, 4-57
solids 4-61
specifying 4-51
streams 4-49
trays 4-61
vaporization efficiency 4-57
Index-8 Unit Oper at ion Models
Ver sion 10
Petroleum refining fractionation
MultiFrac 4-30
PetroFrac 4-48
Petroleum/petrochemical applications
RadFrac 4-22
Physical properties
columns A-17
HeatX 3-17
Physical property methods
RateFrac 4-74
Pinch points
estimating 3-21
Pipe model
AGA method 6-39
Angel-Welchon-Ros correlation 6-38
Beggs and Brill correlation 6-37
Beggs and Brill correlation parameters 6-38
closed-form methods 6-39
Design-Spec convergence loop 6-34
downstream and upstream integration 6-33
Dukler correlation 6-37
Eaton correlation 6-38
erosional velocity 6-34
fittings modeling 6-35
Flanigan correlation 6-38
flash options 6-32
flowsheet connectivity 6-30
fraction factor correlations 6-35
Hagedorn-Brown correlation 6-37
Hazen-Williams method 6-40
holdup correlations 6-35
Hughmark method 6-37
integration direction 6-33
liquid holdup correlations 6-35
Lockhart-Martinelli correlation 6-37
methane gas systems 6-34
Oliphant method 6-39
Orkiszewski correlation 6-37
overview 6-30
Panhandle methods 6-40
physical property calculations 6-32
pressure drop calculations 6-33
pressure specification 6-31
Slack correlation 6-38
Smith method 6-39
specifying 6-31
stream specification 6-32
two-phase correlations 6-35
valve modeling 6-35
Weymouth method 6-39
Pipeline
AGA method 6-51
Angel-Welchon-Ros correlation 6-49
Beggs and Brill correlation 6-48
Beggs and Brill correlation parameters 6-50
closed-form methods 6-50
Design-Spec convergence loop 6-46
downstream and upstream integration 6-45
Dukler correlation 6-48
Eaton correlation 6-49
erosional velocity 6-46
Flanigan correlation 6-50
flowsheet connectivity 6-42
fraction factor correlations 6-47
Hagedorn-Brown correlation 6-49
Hazen-Williams method 6-52
holdup correlations 6-47
Hughmark method 6-48
integration direction 6-45
liquid holdup correlations 6-47
Lockhart-Martinelli correlation 6-49
methane gas systems 6-47
nodes and segments 6-44
Oliphant method 6-51
Orkiszewski correlation 6-49
overview 6-42
Panhandle methods 6-51
physical property calculations 6-45
pressure drop calculations 6-45
Slack correlation 6-49
Smith method 6-51
specifying 6-43
stream specification 6-44
two-phase correlations 6-47
Weymouth method 6-51
Pipes
Pipe model 6-30
Pipeline 6-42
Piping system
Pres-Relief 10-11
Plug flow reactors
RPlug 5-21
Polytropic compressors
Compr 6-9, 6-11
MCompr 6-13
Pres-Relief
3% rule 10-8
97% rule 10-8
Beggs and Brill correlation 10-12
calculation methods 10-23
Unit Oper at ion Models Index-9
Ver sion 10
Pres-Relief (continued)
capacity runs 10-6
code compliance 10-6
convergence methods 10-23
credit factors 10-4
Darcy correlation 10-12
data tables 10-12–10-16
DIERS calculations 10-18
disengagement options 10-18
Dukler correlation 10-12
dynamic scenarios 10-2, 10-7, 10-16, 10-18, 10-19
energy input calculations 10-4
fire scenario 10-3
flow equations 10-20
heat exchanger shell 10-17
heat flux scenario 10-5
insulation credit factor 10-24
Lockhart-Martinelli correlation 10-12
manufacturers' tables 10-12–10-16
nozzle flow equation 10-22
overview 10-2
pipe diameters 10-12
pipe flow equation 10-20
pipe specifications 10-11
reactions 10-9
relief system 10-10
relief system flow rating scenario 10-5
relief valve flow rating scenario 10-6
rupture disks 10-15
safety relief valves 10-14
sample solution 10-19
scenarios 10-3
sizing rules 10-7, 10-9
Slack correlation 10-12
specifying 10-2, 10-10, 10-11
spheres 10-17
steady-state scenarios 10-6
stop criteria 10-18
streams 10-7
user-specified vessel 10-17
valve cycling 10-16
valve types 10-10, 10-13
vents 10-15
vessel geometry 10-16
vessel head types 10-17
vessel jacket 10-17
wetted area calculations 10-4
X% rule 10-8
Pressure changers
Compr 6-9
MCompr 6-13
Pipe model 6-30
Pressure changers (continued)
Pipeline 6-42
Pump model 6-2
Valve model 6-20
Pressure drop
HeatX 3-13, 3-14, 3-15
Pressure drop calculations
HeatX 3-10, 3-15
Pressure drop models
Pipe model 6-30
Pipeline 6-42
Pressure relief systems
Pres-Relief 10-2
Pump model
flow coefficient 6-7
flowsheet connectivity 6-2
head coefficient 6-7
net positive suction head (NPSH) 6-4
overview 6-2
specific speed 6-5
specifying 6-3
suction specific speed 6-6
Pumparounds
RadFrac 4-18
Pumps
Heater model 3-2
Pump model 6-2
R
RadFrac 4-23
absorbers 4-23
algorithms 4-22
azeotropic distillation 4-22
column configuration 4-13, 4-16
convergence algorithms 4-22, 4-25
convergence methods 4-26, 4-27, 4-28
coolers 4-17
decanters 4-18, 4-29
design mode 4-24
design mode convergence 4-26
design specifications 4-27
efficiencies 4-20
feed streams 4-14
flowsheet connectivity 4-12
free-water calculations 4-20
heaters 4-17
inside-out algorithms 4-26
kettle reboilers 4-16
Murphree efficiency 4-21
Napthali-Sandholm algorithm 4-26
Index-10 Unit Oper at ion Models
Ver sion 10
RadFrac (continued)
Newton algorithm 4-22, 4-26
nonideal systems 4-22
overview 4-11
petroleum/petrochemical applications 4-22
physical properties 4-28
property methods 4-28
pumparounds 4-18
rating mode 4-23
reactive distillation 4-25
reboilers 4-16
salt precipitation 4-25
simultaneous convergence 4-28
solids handling 4-28
specifying 4-12
stage numbering 4-14
streams 4-12
strippers 4-23
thermosyphon reboilers 4-16
three-phase calculations 4-20, 4-23
two-phase calculations 4-23
UA calculations 4-17
vaporizaton efficiency 4-20
Rate-based modeling
RateFrac 4-62, 4-65
RateFrac
bubble-cap tray column 4-81
Chilton-Colburn analogy 4-77, 4-84
column configuration 4-70
column numbering 4-67
component ratio 4-75
connecting streams 4-70
convergence 4-76
coolers 4-73
correlations 4-76, 4-77
design mode 4-74
efficiencies 4-65, 4-75
equilibrium stages 4-72
feed stream conventions 4-68
flowsheet connectivity 4-63
Fortran subroutines 4-77
free-water calculations 4-74
heat transfer coefficients 4-84
heaters 4-73
HETP 4-65, 4-75
interfacial areas 4-76, 4-77, 4-79, 4-81, 4-82
mass transfer coefficients 4-76, 4-77, 4-79, 4-81, 4-82
Murphree efficiency 4-65
Newton algorithm 4-76
overview 4-62
packing specifications 4-70
RateFrac (continued)
physical property method 4-74
rate-based modeling 4-65
rating mode 4-74
reactions 4-72
reactive distillation 4-72
segments 4-71, 4-75
side duties 4-73
sieve tray column correlations 4-82
solution times 4-76
specifying 4-64, 4-66, 4-70
stream definitions 4-68
streams 4-63
tray column 4-79
tray column correlations 4-81, 4-82
tray specifications 4-70
utility exchangers 4-73
valve tray column 4-79
Rating mode
RateFrac 4-74
RBatch
batch operation 5-29
cycle time 5-28
flowsheet connectivity 5-25
mass balances 5-28
overview 5-25
reactions 5-28
specifying 5-26
stop criteria 5-28
temperature controller 5-27
RCSTR
flowsheet connectivity 5-16
overview 5-16
phase volume 5-17
reaction kinetics 5-17
residence time 5-18
scaling methods 5-19
solids reactions 5-18
specifying 5-17
variable scaling 5-19
Reactions
RateFrac 4-72
Reactive distillation
RadFrac 4-25
Reactors
RBatch 5-25
RCSTR 5-16
REquil 5-8
RGibbs 5-10
RPlug 5-21
RStoic 5-2
RYield 5-6
Unit Oper at ion Models Index-11
Ver sion 10
Reboilers
PetroFrac 4-51
RadFrac 4-16
Relief devices
Pres-Relief 10-10
REquil
equilibrium constants 5-9
flowsheet connectivity 5-8
Gibbs free energy 5-9
net heat duty 5-8
overview 5-8
solids 5-9
specifying 5-9
streams 5-8
RGibbs
chemical equilibrium 5-12
flowsheet connectivity 5-11
overview 5-10
phase equilibrium 5-12, 5-13
reactions 5-14
restricted chemical equilibrium 5-13
solids 5-14
specifying 5-11
Rigorous distillation
MultiFrac 4-30
PetroFrac 4-48
RadFrac 4-11
RateFrac 4-62
Rigorous extraction
Extract 4-87
RPlug
coolant 5-23
flowsheet connectivity 5-22
overview 5-21
reactions 5-24
solids 5-24
specifying 5-22
RStoic
flowsheet connectivity 5-3
heat of reaction 5-3, 5-4
overview 5-2
product selectivity 5-3, 5-4
specifying 5-3
stream specifications 5-3
RYield
calculation types 5-7
flowsheet connectivity 5-6
heat duty specification 5-7
overview 5-6
specifying 5-7
yield distribution 5-7
S
Salt precipitation
RadFrac 4-25
SCFrac
crude units 4-8
flowsheet connectivity 4-8
overview 4-8
specifying 4-9
vacuum towers 4-8
Screen
flowsheet connectivity 8-19
operating levels 8-20
overview 8-19
screen size correlation 8-21
selection function 8-20
separation efficiency 8-21
separation strength 8-20
specifying 8-19
Sep
flowsheet connectivity 2-12
inlet pressure 2-13
outlet stream conditions 2-13
overview 2-12
specifying 2-13
Sep2
flowsheet connectivity 2-14
inlet pressure 2-16
outlet stream conditions 2-16
overview 2-14
specifying 2-15
substreams 2-15
Separators
Decanter model 2-8
Flash2 2-2
Flash3 2-5
Sep 2-12
Sep2 2-14
Shell heat exchangers
Hetran 3-23
Shell-side film coefficient
HeatX 3-13
Shepherd and Lapple correlation
Cyclone 8-29
Shortcut distillation
Distl 4-6
DSTWU 4-3
SCFrac 4-8
Simultaneous convergence
RadFrac 4-28
Sizing recommendations
Pres-Relief 10-9
Index-12 Unit Oper at ion Models
Ver sion 10
Slack correlation
Pipe model 6-38
Pipeline 6-49
Pres-Relief 10-12
Smith method
Pipe model 6-39
Pipeline 6-51
Solids
Crystallizer 8-3
Flash2 2-4
Flash3 2-6
Heater model 3-4
MHeatX 3-22
RGibbs 5-14
Solids crushers
Crusher 8-13
Solids separators
CFuge 8-52
Crusher 8-13
Cyclone 8-27
ESP 8-40
FabFl 8-23
Filter model 8-56
HyCyc 8-45
Screen 8-19
VScrub 8-36
Solids washers
CCD 8-64
SWash 8-61
Splitters
FSplit 1-5
Sep 2-12
Sep2 2-14
SSplit 1-8
SSplit
flowsheet connectivity 1-8
overview 1-8
specifying 1-8
Stichlmair correlation
packings calculations A-16
Stoichiometric reactors
RStoic 5-2
Stream classes
changing 7-6
Stream definitions
RateFrac 4-68
Stream manipulators
ClChng 7-6
Dupl 7-4
Mult 7-2
Stream mixers
Mixer model 1-2
Stream multiplication
Mult 7-2
Stream pressure changers
Pump model 6-2
Stream splitters
FSplit 1-5
SSplit 1-8
Streams
combining 1-8
Flash3 2-5
splitting 2-12, 2-14
Strippers
MultiFrac 4-30
RadFrac 4-23
RateFrac 4-62
Substream splitters
SSplit 1-8
Sum-rates algorithm
MultiFrac 4-43
SWash
bypass fraction 8-63
flowsheet connectivity 8-61
mixing efficiency 8-62
overview 8-61
specifying 8-62
T
TEMA shells
HeatX 3-11
Thermosyphon reboilers
RadFrac 4-16
Three-phase calculations
RadFrac 4-20
Trays
Bolles method A-8
bubble cap A-9
downcomer specifications A-3
Flexitrays A-11
float valve A-11
flooding calculations A-8
foaming calculations A-11
MultiFrac 4-47
PetroFrac 4-61
pressure drop calculations A-10
pressure profile A-17
RateFrac 4-70
rating A-2, A-8
sizing A-2, A-8
specifying A-1
types A-1
Unit Oper at ion Models Index-13
Ver sion 10
Tube geometry
HeatX 3-14
Tube heat exchangers
Hetran 3-23
Tube-side film coefficient
HeatX 3-14
Turbines
Compr 6-9
MCompr 6-13
Pump model 6-2
U
Underwood’s method
DSTWU 4-3
Unit operation models
user-supplied 9-2, 9-4
User model
flowsheet connectivity 9-2
Fortran subroutines 9-3
overview 9-2
specifying 9-3
User2
flowsheet connectivity 9-4
Fortran subroutines 9-5
overview 9-4
specifying 9-5
V
Vacuum filters
Filter model 8-56
Vacuum towers
SCFrac 4-8
Valve model
calculation types 6-20
cavitation index 6-29
characteristic equation 6-26
choked flow 6-28
flow coefficient 6-24
flowsheet connectivity 6-20
overview 6-20
piping geometry factor 6-26
pressure drop calculation 6-20, 6-28
pressure drop ratio factor 6-22
pressure recovery factor 6-23
specifying 6-20
Valves
cycling 10-16
Heater model 3-2
Pipe model 6-35
Valves (continued)
safety relief 10-14
types used in Pres-Relief 10-10, 10-13–10-16
Valve model 6-20
Vaporization efficiency
MultiFrac 4-41
PetroFrac 4-57
RadFrac 4-20
Vents
Pres-Relief 10-15
Venturi scrubbers
VScrub 8-36
VScrub
flowsheet connectivity 8-36
overview 8-36
pressure drop 8-38
rating 8-37
separation efficiency 8-39
sizing 8-37
specifying 8-37
W
Weymouth method
Pipe model 6-39
Pipeline 6-51
Winn's method
DSTWU 4-3
Y
Yield reactors
RYield 5-6
Z
Zone analysis
HeatX 3-5
MHeatX 3-19, 3-20, 3-21
Index-14 Unit Oper at ion Models
Ver sion 10

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Use of ASPEN PLUS and This Manual
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Contents
About the Unit Operation Models Reference Manual For More Information..............................................................................................................x Technical Support ..................................................................................................................xi 1 Mixers and Splitters Mixer .....................................................................................................................................1-2 Flowsheet Connectivity for Mixer....................................................................................1-2 Specifying Mixer...............................................................................................................1-3 FSplit.....................................................................................................................................1-5 Flowsheet Connectivity for FSplit...................................................................................1-5 Specifying FSplit ...............................................................................................................1-6 SSplit.....................................................................................................................................1-8 Flowsheet Connectivity for SSplit ....................................................................................1-8 Specifying SSplit ...............................................................................................................1-8 2 Separators Flash2....................................................................................................................................2-2 Flowsheet Connectivity for Flash2..................................................................................2-2 Specifying Flash2 .............................................................................................................2-3 Flash3....................................................................................................................................2-5 Flowsheet Connectivity for Flash3..................................................................................2-5 Specifying Flash3 .............................................................................................................2-6 Decanter................................................................................................................................2-8 Flowsheet Connectivity for Decanter ..............................................................................2-8 Specifying Decanter .........................................................................................................2-9 Sep.......................................................................................................................................2-12 Flowsheet Connectivity for Sep ......................................................................................2-12 Specifying Sep .................................................................................................................2-13 Sep2 .....................................................................................................................................2-14 Flowsheet Connectivity for Sep2 ....................................................................................2-14 Specifying Sep2...............................................................................................................2-15 3 Heat Exchangers Heater ...................................................................................................................................3-2 Flowsheet Connectivity for Heater..................................................................................3-2 Specifying Heater .............................................................................................................3-3 HeatX ....................................................................................................................................3-5 Flowsheet Connectivity for HeatX...................................................................................3-5 Specifying HeatX ..............................................................................................................3-6 References...........................................................................................................................3-18

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MHeatX .............................................................................................................................. 3-19 Flowsheet Connectivity for MHeatX ............................................................................ 3-19 Specifying MHeatX........................................................................................................ 3-20 Hetran ................................................................................................................................ 3-23 Flowsheet Connectivity for Hetran .............................................................................. 3-23 Specifying Hetran.......................................................................................................... 3-24 Aerotran ............................................................................................................................. 3-26 Flowsheet Connectivity for Aerotran ........................................................................... 3-26 Specifying Aerotran....................................................................................................... 3-27 4 Columns DSTWU ................................................................................................................................ 4-3 Flowsheet Connectivity for DSTWU ................................................................................ 4-3 Specifying DSTWU........................................................................................................... 4-4 Distl ...................................................................................................................................... 4-6 Flowsheet Connectivity for Distl...................................................................................... 4-6 Specifying Distl ................................................................................................................ 4-7 SCFrac.................................................................................................................................. 4-8 Flowsheet Connectivity for SCFrac ................................................................................. 4-8 Specifying SCFrac ............................................................................................................ 4-9 RadFrac.............................................................................................................................. 4-11 Flowsheet Connectivity for RadFrac ............................................................................ 4-12 Specifying RadFrac........................................................................................................ 4-13 Free-Water and Rigorous Three-Phase Calculations .................................................. 4-20 Efficiencies ..................................................................................................................... 4-20 Algorithms...................................................................................................................... 4-22 Rating Mode................................................................................................................... 4-23 Design Mode................................................................................................................... 4-24 Reactive Distillation ...................................................................................................... 4-25 Solution Strategies ........................................................................................................ 4-25 Physical Properties........................................................................................................ 4-28 Solids Handling ............................................................................................................. 4-28 MultiFrac ........................................................................................................................... 4-30 Flowsheet Connectivity for MultiFrac .......................................................................... 4-31 Specifying MultiFrac ..................................................................................................... 4-33 Efficiencies ..................................................................................................................... 4-41 Algorithms...................................................................................................................... 4-42 Rating Mode................................................................................................................... 4-42 Design Mode................................................................................................................... 4-42 Column Convergence..................................................................................................... 4-43 Physical Properties........................................................................................................ 4-46 Free Water Handling..................................................................................................... 4-46 Solids Handling ............................................................................................................. 4-46 Sizing and Rating of Trays and Packings .................................................................... 4-47 PetroFrac............................................................................................................................ 4-48 Flowsheet Connectivity for PetroFrac.......................................................................... 4-49 Specifying PetroFrac...................................................................................................... 4-51 Efficiencies ..................................................................................................................... 4-57

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Unit Operation Models Version 10

Convergence....................................................................................................................4-58 Rating Mode....................................................................................................................4-59 Design Mode ...................................................................................................................4-59 Physical Properties.........................................................................................................4-60 Free Water Handling .....................................................................................................4-60 Solids Handling ..............................................................................................................4-61 Sizing and Rating of Trays and Packings .....................................................................4-61 RateFrac..............................................................................................................................4-62 Flowsheet Connectivity for RateFrac............................................................................4-63 The Rate-Based Modeling Concept................................................................................4-65 Specifying RateFrac .......................................................................................................4-66 Mass and Heat Transfer Correlations...........................................................................4-77 References...........................................................................................................................4-85 Extract ................................................................................................................................4-87 Flowsheet Connectivity for Extract...............................................................................4-87 Specifying Extract ..........................................................................................................4-88 5 Reactors RStoic ....................................................................................................................................5-2 Flowsheet Connectivity for RStoic ..................................................................................5-2 Specifying RStoic..............................................................................................................5-3 RYield....................................................................................................................................5-6 Flowsheet Connectivity for RYield..................................................................................5-6 Specifying RYield .............................................................................................................5-7 REquil ...................................................................................................................................5-8 Flowsheet Connectivity for REquil..................................................................................5-8 Specifying REquil .............................................................................................................5-9 RGibbs.................................................................................................................................5-10 Flowsheet Connectivity for RGibbs ...............................................................................5-10 Specifying RGibbs ..........................................................................................................5-11 References...........................................................................................................................5-15 RCSTR ................................................................................................................................5-16 Flowsheet Connectivity for RCSTR...............................................................................5-16 Specifying RCSTR ..........................................................................................................5-17 RPlug...................................................................................................................................5-21 Flowsheet Connectivity for RPlug.................................................................................5-21 Specifying RPlug ............................................................................................................5-22 RBatch ................................................................................................................................5-25 Flowsheet Connectivity for RBatch...............................................................................5-25 Specifying RBatch ..........................................................................................................5-26 6 Pressure Changers Pump .....................................................................................................................................6-2 Flowsheet Connectivity for Pump ...................................................................................6-2 Specifying Pump ...............................................................................................................6-3 Compr....................................................................................................................................6-9 Flowsheet Connectivity for Compr..................................................................................6-9 Specifying Compr ............................................................................................................6-10

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MCompr.............................................................................................................................. 6-13 Flowsheet Connectivity for MCompr ............................................................................. 6-13 Specifying MCompr........................................................................................................ 6-15 References .......................................................................................................................... 6-19 Valve................................................................................................................................... 6-20 Flowsheet Connectivity for Valve................................................................................. 6-20 Specifying Valve ............................................................................................................ 6-20 References .......................................................................................................................... 6-29 Pipe..................................................................................................................................... 6-30 Flowsheet Connectivity for Pipe ................................................................................... 6-30 Specifying Pipe .............................................................................................................. 6-31 Two-Phase Correlations ................................................................................................ 6-35 Closed-Form Methods.................................................................................................... 6-39 References .......................................................................................................................... 6-40 Pipeline .............................................................................................................................. 6-42 Flowsheet Connectivity for Pipeline............................................................................. 6-42 Specifying Pipeline ......................................................................................................... 6-43 Two-Phase Correlations ................................................................................................ 6-47 Closed-Form Methods.................................................................................................... 6-50 References .......................................................................................................................... 6-52 7 Manipulators Mult ...................................................................................................................................... 7-2 Flowsheet Connectivity for Mult...................................................................................... 7-2 Specifying Mult................................................................................................................ 7-3 Dupl ...................................................................................................................................... 7-4 Flowsheet Connectivity for Dupl...................................................................................... 7-4 Specifying Dupl................................................................................................................ 7-5 ClChng ................................................................................................................................. 7-6 Flowsheet Connectivity for ClChng................................................................................ 7-6 Specifying ClChng............................................................................................................ 7-6 8 Solids Crystallizer .......................................................................................................................... 8-3 Flowsheet Connectivity for Crystallizer .......................................................................... 8-3 Specifying Crystallizer ..................................................................................................... 8-4 References .......................................................................................................................... 8-11 Crusher............................................................................................................................... 8-13 Flowsheet Connectivity for Crusher............................................................................. 8-13 Specifying Crusher ........................................................................................................ 8-14 References .......................................................................................................................... 8-18 Screen ................................................................................................................................. 8-19 Flowsheet Connectivity for Screen ............................................................................... 8-19 Specifying Screen........................................................................................................... 8-19 References .......................................................................................................................... 8-22 FabFl .................................................................................................................................. 8-23 Flowsheet Connectivity for FabFl................................................................................. 8-23 Specifying FabFl............................................................................................................. 8-23

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References...........................................................................................................................8-26 Cyclone ................................................................................................................................8-27 Flowsheet Connectivity for Cyclone................................................................................8-27 Specifying Cyclone ..........................................................................................................8-28 References...........................................................................................................................8-35 VScrub.................................................................................................................................8-36 Flowsheet Connectivity for VScrub ................................................................................8-36 Specifying VScrub ...........................................................................................................8-37 References...........................................................................................................................8-39 ESP......................................................................................................................................8-40 Flowsheet Connectivity for ESP .....................................................................................8-40 Specifying ESP ................................................................................................................8-41 References...........................................................................................................................8-44 HyCyc ..................................................................................................................................8-45 Flowsheet Connectivity for HyCyc..................................................................................8-45 Specifying HyCyc ............................................................................................................8-46 References...........................................................................................................................8-51 CFuge ..................................................................................................................................8-52 Flowsheet Connectivity for CFuge ................................................................................8-52 Specifying CFuge............................................................................................................8-53 References...........................................................................................................................8-55 Filter ...................................................................................................................................8-56 Flowsheet Configuration for Filter................................................................................8-56 Specifying Filter .............................................................................................................8-56 References...........................................................................................................................8-59 SWash .................................................................................................................................8-61 Flowsheet Connectivity for SWash................................................................................8-61 Specifying SWash ...........................................................................................................8-62 CCD .....................................................................................................................................8-64 Flowsheet Connectivity for CCD ...................................................................................8-64 Specifying CCD...............................................................................................................8-65 9 User Models User .......................................................................................................................................9-2 Flowsheet Connectivity for User .....................................................................................9-2 Specifying User.................................................................................................................9-3 User2 .....................................................................................................................................9-4 Flowsheet Connectivity for User2 ...................................................................................9-4 Specifying User2...............................................................................................................9-5 10 Pressure Relief Pres-Relief...........................................................................................................................10-2 Specifying Pres-Relief ....................................................................................................10-2 Scenarios .........................................................................................................................10-3 Compliance with Codes ..................................................................................................10-6 Stream and Vessel Compositions and Conditions........................................................10-6 Rules to Size the Relief Valve Piping ............................................................................10-7 Reactions.........................................................................................................................10-9

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.....................................................................A-9 Pressure Drop Calculations for Trays .......................................................................... 10-18 Solution Procedure for Dynamic Scenarios....................................................................................................................................................................A-13 Pressure Drop Calculations for Packing .............................................................A-16 Pressure Profile Update ................................................................................................................................................................................................................................................... 10-10 Data Tables for Pipes and Relief Devices.................................................................................................... 10-24 References ..................................................................................... 10-16 Disengagement Models . 10-25 A Sizing and Rating for Trays and Packings Single-Pass and Multi-Pass Trays....................................................................................................A-12 Modes of Operation for Packing.........................................................................................................................................................................................................................A-8 Flooding Calculations for Trays.........................................A-18 Index viii Unit Operation Models Version 10 ................................................................. 10-16 Vessel Types.............................................. 10-12 Valve Cycling ...........................................................................................................................................................................................................................................................................................................................A-10 Foaming Calculations for Trays ...................Relief System .............A-17 Physical Property Data Requirements................... 10-19 Flow Equations ........................................................................................................................A-17 References ............................................................................................ 10-20 Calculation and Convergence Methods ..................................................................... 10-18 Stop Criteria ...... 10-23 Vessel Insulation Credit Factor...........................................................A-15 Liquid Holdup Calculations for Packing ...........................A-8 Bubble Cap Tray Layout ...................A-12 Packing Types and Packing Factors.......A-12 Maximum Capacity Calculations for Packing ..............................................................................................................A-11 Packed Columns ..........................A-2 Modes of Operation for Trays ...............................................................................................................................................................

important equations and correlations.About the Unit Operation Models Reference Manual Volume 1 of the ASPEN PLUS Reference Manuals. The reference information for each model includes a description of the model and its typical usage. Unit Operation Models. a discussion of the specifications you must provide for the model. includes detailed technical reference information for all ASPEN PLUS unit operation models and the Pres-Relief model. Models are grouped in chapters according to unit operation type. The information in this manual is also available in online help and prompts. An overview of all ASPEN PLUS unit operation models. a diagram of its flowsheet connectivity. Unit Operation Models Version 10 ix . and general information about the steps and procedures in using them is in the ASPEN PLUS User Guide as well as in the online help and prompts in ASPEN PLUS. and other relevant information.

tables of ASPEN PLUS databank parameters. The guide takes you step-by-step to learn the full power and scope of ASPEN PLUS. These manuals include background information about the unit operation models and the physical properties methods and models available in ASPEN PLUS. ASPEN PLUS Installation Guides These guides provide instructions on platform and network installation of ASPEN PLUS. and a wide range of other reference information. group contribution method functional groups. Chapter 3. The set comprises: • Unit Operation Models • Physical Property Methods and Models • Physical Property Data • User Models • System Management • Summary File Toolkit ASPEN PLUS application examples A suite of sample online ASPEN PLUS simulations illustrating specific processes is delivered with ASPEN PLUS. You can also order printed manuals from AspenTech. The help system contains both context-sensitive help and reference information. see the ASPEN PLUS User Guide. x Unit Operation Models Version 10 . using the powerful capabilities of ASPEN PLUS. ASPEN PLUS User Guide The three-volume ASPEN PLUS User Guide provides step-by-step procedures for developing and using an ASPEN PLUS process simulation model. ASPEN PLUS reference manual series ASPEN PLUS reference manuals provide detailed technical reference information. For more information about using ASPEN PLUS help. ASPEN PLUS Getting Started Building and Running a Process Model This tutorial includes several hands-on sessions to familiarize you with ASPEN PLUS.For More Information Online Help ASPEN PLUS has a complete system of online help and context-sensitive prompts. The guide is task-oriented to help you accomplish the engineering work you need to do. The set comprises: • • • ASPEN PLUS Installation Guide for Windows ASPEN PLUS Installation Guide for OpenVMS ASPEN PLUS Installation Guide for UNIX The ASPEN PLUS manuals are delivered in Adobe portable document format (PDF) on the ASPEN PLUS Documentation CD.

Gulf Region. visit the Technical Support homepage.com/ Technical resources To obtain in-depth technical support information on the Internet.aspentech. contact our Hotline for any of the following locations: If you are located in: North America & the Caribbean Phone Number +1-617/949-1021 +1-888/996-7001 (toll free) +54-1/326-9835 +55-11/5506-0756 +32-2/724-0100 +44-1223/312220 +81-3/3262-1743 +85-2/2838-6077 +54-1/394-8621 +55-11/5506-0567 +32-2/705-4034 +44-1223/366980 +81-3/3262-1744 +85-2/2833-5642 tecnoba@aspentech. Other information includes: • • • Frequently asked questions Product training courses Technical tips AspenTech Hotline If you need help from an AspenTech Customer Support engineer.com South America (Argentina office) (Brazil office) Europe.Technical Support World Wide Web For additional information about AspenTech products and services. you will receive a confirmation e-mail and you will then be able to access this information.com atuksupport@aspentech.com atesupport@aspentech.com atasupport@aspentech.com Fax Number +1-617/949-1724 E-Mail Address support@aspentech.aspentech. The most current Hotline contact information is listed.com atjsupport@aspentech. Register at: http://www.com tecnosp@aspentech. check the AspenTech World Wide Web home page on the Internet at: http://www. & Africa (Brussels office) (UK office) Japan Asia & Australia y y y y Unit Operation Models Version 10 xi .com/ts/ Approximately three days after registering.

xii Unit Operation Models Version 10 .

Chapter 1 1 Mixers and Splitters This chapter describes the unit operation models for mixing and splitting streams. Adding work streams Stream splitters. Perfect fluid-solid separators Unit Operation Models Version 10 1-1 . Adding heat streams. Stream mixing operations. Bleed valves Stream splitters. The models are: Model Mixer FSplit SSplit Description Stream mixer Stream splitter Substream splitter Purpose Combines multiple streams into one stream Divides feed based on splits specified for outlet streams Divides feed based on splits specified for each substream Use For Mixing tees.

A single Mixer block cannot mix streams of different types (material. Flowsheet Connectivity for Mixer Material (2 or more) Material Water (optional) Flowsheet for Mixing Material Streams Material Streams Inlet At least two material streams One water decant stream (optional) Outlet One material stream 1-2 Unit Operation Models Version 10 . Mixer combines material streams (or heat streams or work streams) into one stream. Select the Heat (Q) and Work (W) Mixer icons from the Model Library for heat and work streams respectively.Mixers and Splitters Mixer Stream Mixer Use Mixer to combine streams into one stream. work). Mixer models mixing tees or other types of mixing operations. heat.

When mixing heat or work streams.Chapter 1 Heat (2 or more) Heat Flowsheet for Adding Heat Streams Heat Streams Inlet At least two heat streams Outlet One heat stream Work (2 or more) Work Flowsheet for Adding Work Streams Work Streams Inlet At least two work streams Outlet One work stream Specifying Mixer Use the Mixer Input Flash Options sheet to specify operating conditions. Unit Operation Models Version 10 1-3 . Mixer does not require any specifications.

unless Mass Balance Only Calculations is specified on the Mixer BlockOptions SimulationOptions sheet or the Setup SimulationOptions Calculations sheet. Mixer performs an adiabatic calculation on the product to determine the outlet temperature. and applies the pressure drop to the minimum inlet stream pressure to compute the outlet pressure. If you specify pressure drop. simulation options. Mixer uses the minimum pressure from the inlet streams for the outlet pressure. An optional water decant stream can be used when free-water calculations are performed. Use the following forms to enter specifications and view results for Mixer: Use this form Input BlockOptions Results Dynamic To do this Enter operating conditions and flash convergence parameters Override global values for physical properties.Mixers and Splitters When mixing material streams. Mixer determines the minimum of the inlet stream pressures. If you do not specify the outlet pressure or pressure drop. You can select the following valid phases: Valid Phase Vapor-Only Liquid-Only Vapor-Liquid Vapor-Liquid-Liquid Liquid Free-Water † † Solids? Yes or no Yes or no Yes or no Yes or no Yes or no Yes or no Yes Number of phases? 1 1 2 3 1 2 1 Free Water? No No No No Yes Yes No Phase? V L     S Vapor-Liquid Free-Water Solid-Only † Check Use Free Water Calculations checkbox on the Setup Specifications Global sheet. you can specify either the outlet pressure or pressure drop. and report options for this block View Mixer simulation results Specify parameters for dynamic simulations 1-4 Unit Operation Models Version 10 . diagnostic message levels.

FSplit cannot split a stream into different types.Chapter 1 FSplit Stream Splitter FSplit combines streams of the same type (material. use an SSplit block. To model a splitter where the amount of each substream sent to each outlet can differ. Flowsheet Connectivity for FSplit Material (any number) Material (2 or more) Flowsheet for Splitting Material Streams Material Streams Inlet At least one material stream Outlet At least two material streams Unit Operation Models Version 10 1-5 . Select the Heat (Q) and Work (W) FSplit icons from the Model Library for heat and work streams respectively. For example. FSplit cannot split a material stream into a heat stream and a material stream. Use FSplit to model flow splitters. To model a splitter where the composition and properties of the output streams can differ. heat. or work streams) and divides the resulting stream into two or more streams of the same type. use a Sep block or a Sep2 block. such as bleed valves. All outlet streams have the same composition and conditions as the mixed inlet.

You can specify mole. mass. or standard liquid volume flow rate for one of the following: • • The entire stream A subset of key components in the stream 1-6 Unit Operation Models Version 10 .Mixers and Splitters Heat (any number) Heat (2 or more) Flowsheet for Splitting Heat Streams Heat Streams Inlet At least one heat stream Outlet At least two heat streams Work (any number) Work (2 or more) Flowsheet for Splitting Work Streams Work Streams Inlet At least one work stream Outlet At least two work streams Specifying FSplit To split material streams Give one of the following specifications for each outlet stream except one: • Fraction of the combined inlet flow • Mole flow rate • Mass flow rate • Standard liquid volume flow rate • Actual volume flow rate • Fraction of the residue remaining after all other specifications are satisfied FSplit puts any remaining flow in the unspecified outlet stream to satisfy material balance.

FSplit puts any remaining heat or work in the unspecified outlet stream to satisfy energy balance. when you specify the flow rate of a key component. and define the key components in the group on the Input KeyComponents sheet. For this reason. When FSplit has more than one inlet. and key components associated with split specifications Override global values for physical properties. Outlet streams have the same composition as the mixed inlet stream. diagnostic message levels.Chapter 1 To specify the flow rate of a component or group of components in an outlet stream. and report options for this block View split fractions for outlet streams. flash conditions and calculation options. the total flow rate of the outlet stream is greater than the flow rate you specify. specify a group of key components and the total flow rate for the group (the sum of the component flow rates) on the Input Specifications sheet. you can do one of the following: • • Enter the outlet pressure on the FSplit Input FlashOptions sheet Let the outlet pressure default to the minimum pressure of the inlet streams To split heat streams or work streams Specify the fraction of the combined inlet heat or work for each outlet stream except one. Use the following forms to enter specifications and view results for FSplit: Use this form Input BlockOptions Results To do this Enter split specifications. simulation options. and material and energy balance results Unit Operation Models Version 10 1-7 .

temperature. To model a splitter in which the composition and properties of the substreams in the output streams can differ. 1-8 Unit Operation Models Version 10 . and pressure as the corresponding substreams in the mixed inlet stream. Only the substream flow rates differ. Substreams in the outlet streams have the same composition. specify one of the following for all but one outlet stream: • • • • Fraction of the inlet substream Mole flow rate Mass flow rate Standard liquid volume flow rate SSplit puts any remaining flow for each substream in the unspecified stream. Use SSplit to model a splitter where the split of each substream among the outlet streams can differ. Flowsheet Connectivity for SSplit Material (any number) Material (2 or more) Material Streams Inlet At least one material stream Outlet At least two material streams Specifying SSplit For each substream. and mole and standard liquid volume flow rates when the substream is of type NC. You cannot specify standard liquid volume flow rate when the substream is of type CISOLID. use a Sep block or a Sep2 block.Mixers and Splitters SSplit Substream Splitter SSplit combines material streams and divides the resulting stream into two or more streams.

define a key component and specify the flow rate for the key component. you can specify the flow rate for a group of components in a substream of an outlet stream. To do this. temperature. To do this. define a key group of components and specify the total flow rate for the group (the sum of the component flow rates). The composition.Chapter 1 You can specify mole or mass flow rate for one of the following: • The entire substream • A subset of components in the substream You can specify the flow rate of a component in a substream of an outlet stream. • Let the outlet pressure default to the minimum pressure of the inlet streams. and other substream variables for all outlet streams have the same values as the mixed inlet. Use the following forms to enter specifications and view results for SSplit: Use this form Input BlockOptions Results To do this Enter split specifications. diagnostic message levels. Only the substream flow rates differ. when you specify the flow rate of a key. Substreams in outlet streams have the same composition as the corresponding substream in the mixed inlet stream. the total flow rate of the substream in the outlet stream is greater than the flow rate you specify. simulation options. you can do one of the following: • Enter the outlet pressure on the Input FlashOptions sheet. For this reason. flash conditions. and material and energy balance results y y y y Unit Operation Models Version 10 1-9 . and key components associated with split specifications Override global values for physical properties. Similarly. calculation options. When SSplit has more than one inlet. and report options for this block View split fractions of each substream in each outlet stream. pressure.

Mixers and Splitters 1-10 Unit Operation Models Version 10 .

The models are: Model Flash2 Description Two-outlet flash Purpose Separates feed into two outlet streams. Unit Operation Models Version 10 2-1 . when the details of the separation are unknown or unimportant Component separation operations. single-stage separators with two liquid phases and no vapor phase Component separation operations. flash drums. evaporators. single stage separators Flash3 Three-outlet flash Decanters. using rigorous vapor-liquid-liquid equilibrium Separates feed into two liquid outlet streams Separates inlet stream components into multiple outlet streams. Flash3. and liquid-liquid separators. using rigorous vaporliquid or vapor-liquid-liquid equilibrium Separates feed into three outlet streams. or purities Use For Flash drums. based on specified flows or split frractions Separates inlet stream components into two outlet streams. such as distillation and absorption.Chapter 2 2 Separators This chapter describes the unit operation models for component separators. split fractions. based on specified flows. and Decanter models. single-stage separators with two liquid phases Decanters. such as distillation and absorption. knock-out drums. when the details of the separation are unknown or unimportant Decanter Sep Liquid-liquid decanter Component separator Sep2 Two-outlet component separator You can generate heating or cooling curve tables for Flash2.

evaporators.) One water decant stream (optional) Outlet One material stream for the vapor phase You can specify liquid and/or solid entrainment in the vapor stream. the liquid outlet contains both liquid phases. knock-out drums. Flash2 performs vapor-liquid or vapor-liquid-liquid equilibrium calculations. Flash2 determines the thermal and phase conditions of a mixture of one or more inlet streams.Separators Flash2 Two-Outlet Flash Use Flash2 to model flashes. When you specify the outlet conditions. Flowsheet Connectivity for Flash2 Vapor Heat (optional) Material (any number) Water (optional) Heat (optional) Liquid Material Streams Inlet At least one material stream One material stream for the liquid phase. 2-2 Unit Operation Models Version 10 . (If three phases exist. and other singlestage separators.

Use the Input Entrainment sheet to specify liquid and solid entrainment in the vapor phase. The net heat duty is the sum of the inlet heat streams minus the actual (calculated) heat duty. You can use an optional outlet heat stream for the net heat duty. and entrainment specifications Specify heating or cooling curve tables and view tabular results Override global values for physical properties. Specifying Flash2 Use the Input Specifications sheet for all required specifications and valid phases. flash convergence parameters. Otherwise.Chapter 2 Heat Streams Inlet Any number of heat streams (optional) Outlet One heat stream (optional) If you give only one specification (temperature or pressure) on the Input Specifications Sheet. Use the following forms to enter specifications and view results for Flash2: Use this form Input Hcurves Block Options Results Dynamic To do this Enter flash specifications. Flash2 uses the inlet heat stream only to calculate the net heat duty. simulation options. and report options for this block View Flash2 simulation results Specify parameters for dynamic simulations Unit Operation Models Version 10 2-3 . Flash2 uses the sum of the inlet heat streams as a duty specification. diagnostic message levels. For valid phases you can choose the following options: You can choose the following options Vapor-Liquid Vapor-Liquid-Liquid Vapor-Liquid-FreeWater Solids? Yes or no Yes or no Yes or no Number of phases? 2 3 2 Free Water? No No Yes Use the Input FlashOptions sheet to specify temperature and pressure estimates and flash convergence parameters. Use the Hcurves form to specify optional heating or cooling curves.

Solid Substreams Materials in solid substreams do not participate in phase equilibrium calculations. 2-4 Unit Operation Models Version 10 . The salts are in the MIXED substream.Separators Solids All phases are in thermal equilibrium. Flash2 can simulate fluid phases with solids when the stream contains solid substreams or when you request electrolytes chemistry calculations. Electrolyte Chemistry Calculations You can request these on the Properties Specifications Global sheet or the BlockOptions Properties sheet. Solid salts participate in liquid-solid phase equilibrium and thermal equilibrium calculations. Solids leave at the same temperature as the fluid phases.

Flowsheet Connectivity for Flash3 Vapor Heat (optional) Material (any number) 1st Liquid Heat (optional) 2nd Liquid Material Streams Inlet At least one material stream One material stream for the first liquid phase One material stream for the second liquid phase Outlet One material stream for the vapor phase You can specify liquid entrainment of each liquid phase in the vapor stream.Chapter 2 Flash3 Three-Outlet Flash Use Flash3 to model flashes. Unit Operation Models Version 10 2-5 . Flash3 performs vapor-liquid-liquid equilibrium calculations. You can also specify entrainment for each solid substream in the vapor and first liquid phase. When you specify outlet conditions. and other single-stage separators in which two liquid outlet streams are produced. Flash3 determines the thermal and phase conditions of a mixture of one or more inlet streams. evaporators. knock-out drums. decanters.

Flash3 uses the inlet heat stream only to calculate the net heat duty. Flash3 uses the sum of the inlet heat streams as a duty specification. Solids leave at the same temperature as the fluid phases. or when you request electrolyte chemistry calculations. Use the following forms to enter specifications and view results for Flash3: Use this form Input Hcurves Block Options Results Dynamic To do this Enter flash specifications. Specifying Flash3 Use the Input Specifications sheet for all required specifications.Separators Heat Streams Inlet Any number of heat streams (optional) Outlet One heat stream (optional) If you give only one specification on the Input Specifications Sheet (temperature or pressure). Otherwise. flash convergence parameters. To specify optional heating or cooling curves. Solid Substreams Materials in solid substreams do not participate in phase equilibrium calculations. and entrainment specifications Specify heating or cooling curve tables and view tabular results Override global values for physical properties. Use the Input Entrainment sheet to specify solid entrainment. simulation options. The net heat duty is the sum of the inlet heat streams minus the actual (calculated) heat duty. and report options for this block View Flash3 simulation results Specify parameters for dynamic simulations Solids All phases are in thermal equilibrium. Flash3 can simulate fluid phases with solids when the stream contains solid substreams. You can use an optional outlet heat stream for the net heat duty. diagnostic message levels. use the Hcurves form. 2-6 Unit Operation Models Version 10 . key components.

The salts will not appear in the MIXED substream. Unit Operation Models Version 10 2-7 . Solid salts do participate in liquid-solid phase equilibrium and thermal equilibrium calculations. You can only specify apparent component calculations (Select Simulation Approach=Apparent Components on the BlockOptions Properties sheet).Chapter 2 Electrolyte Chemistry Calculations You can request these on the Properties Specifications Global sheet or on the Input BlockOptions Properties sheet.

decanters. and other single-stage separators without a vapor phase. Decanter determines the thermal and phase conditions of a mixture of one or more inlet streams. When you specify outlet conditions. Decanter can calculate liquid-liquid distribution coefficients using: • An activity coefficient model • An equation of state capable of representing two liquid phases • A user-specified Fortran subroutine • A built-in correlation with user-specified coefficients You can enter component separation efficiencies. Flowsheet Connectivity for Decanter Material (any number) Heat (optional) 1st Liquid 2nd Liquid Heat (optional) Material Streams Inlet At least one material stream One material stream for the second liquid phase Outlet One material stream for the first liquid phase You can specify entrainment for each solid substream in the first liquid phase. 2-8 Unit Operation Models Version 10 .Separators Decanter Liquid-Liquid Decanter Decanter simulates decanters and other single stage separators without a vapor phase. Decanter can perform: • Liquid-liquid equilibrium calculations • Liquid-free-water calculations Use Decanter to model knock-out drums. assuming equilibrium stage is present. Use Flash3 if you suspect any vapor phase formation.

and/or user subroutine for phase split calculations Specify heating or cooling curve tables and view tabular results Override global values for physical properties. The net heat duty is the sum of the inlet heat streams minus the actual (calculated) heat duty. simulation options. diagnostic message levels. efficiency. calculation options. Decanter uses the sum of the inlet heat streams as a duty specification. key components. Otherwise. Specifying Decanter You can operate Decanter in one of the following ways: • Adiabatically • With specified duty • At a specified temperature Use the Input Specifications sheet to enter: • Pressure • Temperature or duty Use the following forms to enter specifications and view results for Decanter: Use this form Input Properties Hcurves Block Options Results Dynamic To do this Specify operating conditions. and report options for this block Display simulation results Specify parameters for dynamic simulations Unit Operation Models Version 10 2-9 . Decanter uses the inlet heat stream only to calculate the net heat duty. KLL equation parameters. You can use an optional outlet heat stream for the net heat duty. valid phases.Chapter 2 Heat Streams Inlet Any number of heat streams (optional) Outlet One heat stream (optional) If you specify only pressure on the Input Specifications sheet. and entrainment Specify and/or override property methods.

When only one liquid phase exists and you want to avoid ambiguities. Decanter treats the phase with higher density as the second phase. 2-10 Unit Operation Models Version 10 .Separators Defining the Second Liquid Phase If two liquid phases are present at the decanter operating condition. unless the mole fraction of key components exceeds the threshold value When Two liquid phases are present One liquid phase is present Methods for Calculating the Liquid-Liquid Distribution Coefficients (KLL) When calculating liquid-liquid distribution coefficients (KLL). On the Input CalculationOptions sheet. Phase Splitting Decanter has two methods for solving liquid-liquid phase split calculations: • Equating fugacities of two liquid phases • Minimizing Gibbs free energy of the system You can select a method on the Input CalculationOptions sheet. you can override the default by: • • Specifying key components for identifying the second liquid phase on the Input Specifications sheet Optionally specifying the threshold key component mole fraction on the Input Specifications sheet Decanter treats the Phase with the higher mole fraction of key components as the second liquid phase Liquid phase as the first liquid phase. • Use a Fortran subroutine that you specify on the Properties KLLSubroutine sheet See ASPEN PLUS User Models for more information about writing Fortran subroutines. Enter correlation coefficients on the Properties KLLCorrelation sheet. by default. by default Decanter uses the physical property method specified for the block on the Properties PhaseProperty sheet or BlockOptions Properties sheet. you can override the default by doing one of the following: • Specify separate property methods for the two liquid phases using the Properties PhaseProperty sheet • Use a built-in KLL correlation.

they do not participate in phase equilibrium calculations. Unit Operation Models Version 10 2-11 . the following must be thermodynamically consistent: • Physical property models • Block property method You cannot use the Minimizing Gibbs free energy of the system method when: You specify Separate property methods for the two liquid phases The built-in correlation for liquid-liquid distribution coefficient ( KLL) calculations A user subroutine for liquid-liquid distribution coefficient (KLL) calculations On this sheet Properties PhaseProperty Input CalculationOptions Input Calculation Options Equating fugacities of two liquid phases is not restricted by physical property specifications. Decanter can calculate solutions that do not minimize Gibbs free energy. Efficiency Decanter outlet streams are normally at equilibrium. Solids Entrainment If solids substreams are present. but they do participate in enthalpy balance. If you select Liquid-FreeWater for Valid Phases on the Input CalculationOptions sheet. you cannot specify separation efficiencies. However. you can specify separation efficiencies on the Input Efficiency sheet to account for departure from equilibrium.Chapter 2 If you select Minimizing Gibbs free energy of the system. However. Decanter places any remaining solids in the second liquid outlet stream. You can use the Input Entrainment sheet to specify solids entrainment in the first liquid outlet stream.

If the composition and conditions of all outlet streams of the block you are modeling are identical.Separators Sep Component Separator Sep combines streams and separates the result into two or more streams according to splits specified for each component. When the details of the separation are unknown or unimportant. but the splits for each component are known. you can use an FSplit block instead of Sep. Flowsheet Connectivity for Sep Material (2 or more) Heat (optional) Material (any number) Material Streams Inlet At least one material stream Outlet At least two material streams Heat Streams Inlet No inlet heat streams streams (optional) Outlet One stream for the enthalpy difference between inlet and outlet material 2-12 Unit Operation Models Version 10 . you can use Sep in place of a rigorous separation model to save computation time .

Sep uses the inlet temperature and pressure. and convergence parameters for the mixed inlet and each outlet stream Override global values for physical properties. Outlet Stream Conditions Use the Sep Input Outlet Flash sheet to specify the conditions of the outlet streams. flash specifications. If you do not specify the conditions for a stream. simulation options. The inlet pressure defaults to the minimum inlet stream pressure. use the Sep Input Specifications sheet to specify one of the following for each component present: • Fraction of the component in the corresponding inlet substream • Mole flow rate of the component • Mass flow rate of the component • Standard liquid volume flow rate of the component Sep puts any remaining flow in the corresponding substream of the unspecified outlet stream. diagnostic message levels. and report options for this block View Sep simulation results Inlet Pressure Use the Sep Input Feed Flash sheet to specify either the pressure drop or the pressure at the inlet. Unit Operation Models Version 10 2-13 . Use the following forms to enter specifications and view results for Sep: Use this form Input BlockOptions Results To do this Enter split specifications.Chapter 2 Specifying Sep For each substream of each outlet stream except one. This is useful when Sep has more than one inlet stream.

You can use Sep2 in place of a rigorous separation model. Sep2 saves computation time when details of the separation are unknown or unimportant.Separators Sep2 Two-Outlet Component Separator Sep2 separates inlet stream components into two outlet streams. you can use FSplit instead of Sep2. but offers a wider variety of specifications. Sep2 is similar to Sep. Flowsheet Connectivity for Sep2 Material Material (any number) Material Heat (optional) Material Streams Inlet At least one material stream Outlet Two material streams Heat Streams Inlet No inlet heat streams streams (optional) Outlet One stream for the enthalpy difference between inlet and outlet material 2-14 Unit Operation Models Version 10 . If the composition and conditions of all outlet streams of the block you are modeling are identical. such as distillation or absorption. Sep2 allows purity (mole-fraction) specifications for components.

and report options for this block View Sep2 simulation results Unit Operation Models Version 10 2-15 . The number of specifications for each substream must equal the number of components in that substream. flash specifications. and convergence parameters for the mixed inlet and each outlet stream Override global values for physical properties. simulation options.Chapter 2 Specifying Sep2 Use the Input Specifications sheet to specify stream and/or component fractions and flows. Do not: • Specify the total flow of both outlet streams • Enter more than one flow or frac specification for each component • Enter both a mole-frac and a mass-frac specification for a component in a stream Use the following forms to enter specifications and view results for Sep2: Use this form Input Block Options Results To do this Enter split specifications. You can enter these stream specifications: • • • • Fraction of the total inlet stream going to either outlet stream Total mass flow rate of an outlet stream Total molar flow rate of an outlet stream (for substreams of type MIXED or CISOLID) Total standard liquid volume flow rate of an outlet stream (for substreams of type MIXED) You can enter these component specifications: • Fraction of a component in the feed going to either outlet stream • Mass flow rate of a component in an outlet stream • Molar flow rate of a component in an outlet stream (for substreams of type MIXED or CISOLID) • Standard liquid volume flow rate of a component in an outlet stream (for substreams of type MIXED) • Mass fraction of a component in an outlet stream • Mole fraction of a component in an outlet stream (for substreams of type MIXED or CISOLID) Sep2 treats each substream separately. diagnostic message levels.

y y y y 2-16 Unit Operation Models Version 10 . This information is useful when Sep2 has more than one inlet stream.Separators Inlet Pressure Use the Input Feed Flash sheet to specify either the pressure drop or pressure at the inlet. Outlet Stream Conditions Use the Input Outlet Flash sheet to specify the conditions of the outlet streams. If you do not specify the conditions for a stream. Sep2 uses the inlet temperature and pressure. The inlet pressure defaults to the minimum of the inlet stream pressures.

coolers. and so on Two-stream heat exchangers. Multiple hot and cold stream heat exchangers. including air coolers MHeatX Multistream heat exchanger Hetran Shell and tube heat exchanger Air-cooled heat exchanger Aerotran Unit Operation Models Version 10 3-1 . and for interfacing to the B-JAC heat exchanger programs.Chapter 3 3 Heat Exchangers This chapter describes the unit operation models for heat exchangers and heaters (and coolers). including kettle reboilers Crossflow heat exchangers. condensers. Shell and tube heat exchangers. Rating shell and tube heat exchangers when geometry is known. Two-stream heat exchangers. LNG exchangers. The models are: Model Heater HeatX Description Heater or cooler Two-stream heat exchanger Purpose Determines thermal and phase conditions of outlet stream Exchanges heat between two streams Exchanges heat between any number of streams Provides interface to the B-JAC Hetran shell and tube heat exchanger program Provides interface to the B-JAC Aerotran air-cooled heat exchanger program Use For Heaters.

When you specify the outlet conditions.Heat Exchangers Heater Heater/Cooler You can use Heater to represent: • Heaters • Coolers • Valves • Pumps (whenever work-related results are not needed) • Compressors (whenever work-related results are not needed) You also can use Heater to set the thermodynamic condition of a stream. Flowsheet Connectivity for Heater Heat (optional) Material (any number) Material Heat (optional) Water (optional) Material Streams Inlet At least one material stream One water decant stream (optional) Outlet One material stream Heat Streams Inlet Any number of heat streams (optional) Outlet One heat stream (optional) 3-2 Unit Operation Models Version 10 . Heater determines the thermal and phase conditions of a mixture with one or more inlet streams.

Specifying Heater Use the Heater Input Specifications sheet for all required specifications and valid phases. Use the following forms to enter specifications and view results for Heater. Heater uses the sum of the inlet heat streams as a duty specification. Dew point calculations are two. Otherwise. Heater uses the inlet heat stream only to calculate the net heat duty. The pressure drop is fixed at the steady state value. The net heat duty is the sum of the inlet heat streams minus the actual (calculated) heat duty. Use this form Input Hcurves Block Options Results To do this Enter operating conditions and flash convergence parameters Specify heating or cooling curve tables and view tabular results Override global values for physical properties.Chapter 3 If you give only one specification (temperature or pressure) on the Specifications sheet. Use the Heater Input FlashOptions sheet to specify temperature and pressure estimates and flash convergence parameters. and report options for this block View Heater results Unit Operation Models Version 10 3-3 . Use the Hcurves form to specify optional heating or cooling curves. diagnostic message levels. You can use an optional outlet heat stream for the net heat duty. simulation options.or three-phase flashes with a vapor fraction of unity. This model has no dynamic features. The outlet flow is determined by the mass balance.or three-phase flashes with a vapor fraction of zero. Bubble point calculations are two.

All phases are in thermal equilibrium.Heat Exchangers Solids Heater can simulate fluid phases with solids when the stream contains solid substreams or when you request electrolyte chemistry calculations. Solid Substreams Materials in solid substreams do not participate in phase equilibrium calculations. Solids leave at the same temperature as fluid phases. Solid salts participate in liquid-solid phase equilibrium and thermal equilibrium calculations. 3-4 Unit Operation Models Version 10 . Electrolyte Chemistry Calculations You can request these on the Properties Specifications Global sheet or the Heater BlockOptions Properties sheet. The salts are in the MIXED substream.

nucleate boiling. and condensation film coefficients. J.and two-phase streams. HeatX has correlations to estimate sensible heat. If exchanger geometry is unknown or unimportant. G. For example. HeatX cannot: • • • Perform design calculations Perform mechanical vibration analysis Estimate fouling factors Flowsheet Connectivity for HeatX Cold Outlet Water (optional) Hot Inlet Hot Outlet Water (optional) Cold Inlet Unit Operation Models Version 10 3-5 . and X shells • Rod baffle TEMA E and F shells • Bare and low-finned tubes HeatX can perform a full zone analysis with heat transfer coefficient and pressure drop estimation for single. H. F. HeatX can perform simplified shortcut rating calculations.Chapter 3 HeatX Two-Stream Heat Exchanger HeatX can model a wide variety of shell and tube heat exchanger types including: • Countercurrent and cocurrent • Segmental baffle TEMA E. For rigorous heat transfer and pressure drop calculations. you must supply the exchanger geometry. you may want to perform only heat and material balance calculations.

and block-specific report option Specify the shell and tube configuration and indicate any tube fins. flow direction. baffles. You must provide one of the following specifications: • • • • • • • Heat exchanger area or geometry Exchanger heat duty Outlet temperature of the hot or cold stream Temperature approach at either end of the exchanger Degrees of superheating/subcooling for the hot or cold stream Vapor fraction of the hot or cold stream Temperature change of the hot or cold stream Use the following forms to enter specifications and view results for HeatX: Use this form Setup Options Geometry UserSubroutines Hot-Hcurves To do this Specify shortcut or detailed calculations. and film coefficients Specify different flash convergence parameters and valid phases for the hot and cold sides. or nozzles Specify parameters for user-defined Fortran subroutines to calculate overall heat transfer coefficient. or tube-side pressure drop Specify hot stream heating or cooling curve tables and view tabular results continued 3-6 Unit Operation Models Version 10 . exchanger pressure drops. HeatX convergence parameters. tube-side liquid holdup. LMTD correction factor.Heat Exchangers Material Streams Inlet One hot inlet One cold inlet One cold outlet One water decant stream on the hot side (optional) One water decant stream on the cold side (optional) Outlet One hot outlet Specifying HeatX Consider these questions when specifying HeatX: • Should rating calculations be simple (shortcut) or rigorous? • What specification should the block have? • How should the log-mean temperature difference correction factor be calculated? • How should the heat transfer coefficient be calculated? • How should the pressure drops be calculated? • What equipment specifications and geometry information are available? The answers to these questions determine the amount of information required to complete the block input. heat transfer coefficient calculation methods.

and nozzles Specify parameters for dynamic simulations Shortcut Versus Rigorous Rating Calculations HeatX has two rating modes: shortcut and rigorous. Use the Calculation Type field on the Setup Specifications sheet to specify shortcut or rigorous rating calculations.Chapter 3 Use this form Cold-Hcurves BlockOptions Results Detailed Results Dynamic To do this Specify cold stream heating or cooling curve tables and view tabular results Override global values for physical properties. You can change the defaults to gain complete control over the calculations. The shortcut calculation does not require exchanger configuration or geometry data. you can use exchanger geometry to estimate: • Film coefficients • Pressure drops • Log-mean temperature difference correction factor Rigorous rating mode provides more specification options for HeatX. and report options for this block View a summary of results. The values are described in the following sections. In shortcut rating mode you can simulate a heat exchanger block with the minimum amount of required input. diagnostic message levels. Unit Operation Models Version 10 3-7 . and information about tube fins. The following table lists these options with valid values. baffles. mass and energy balances. pressure drops. but it also requires more input. simulation options. For rigorous rating mode. velocities. and zone analysis View detailed shell and tube results. Rigorous rating mode provides defaults for many options.

This equation applies for exchangers with pure countercurrent flow. The more general equation is: Q = U ⋅ A ⋅ F ⋅ LMTD where the LMTD correction factor. F. 3-8 Unit Operation Models Version 10 .Heat Exchangers Variable LMTD Correction Factor Heat Transfer Coefficient Calculation Method Constant Geometry User subroutine Constant value Phase-specific values Power law expression Film coefficients Exchanger geometry User subroutine Constant value Phase-specific values Power law expression Calculate from geometry Outlet pressure Calculate from geometry Available in Shortcut Mode Default No No Yes Default Yes No No No No No No No Default No Available in Rigorous Mode Yes Default Yes Yes Yes Yes Yes Default Yes Yes Yes Yes Default Yes Default Film Coefficient Pressure Drop Calculating the Log-Mean Temperature Difference Correction Factor The standard equation for a heat exchanger is: Q = U ⋅ A ⋅ LMTD where LMTD is the log-mean temperature difference. Use the LMTD Correction Factor field on the Setup Specifications sheet to enter the LMTD correction factor. accounts for deviation from countercurrent flow.

You supply a user subroutine to calculate the heat transfer coefficient. use the LMTD Correction Method field on the Setup Specifications sheet to specify how HeatX calculates the LMTD correction factor. HeatX calculates the LMTD correction factor using the exchanger specification and stream properties You supply a user subroutine to calculate the LMTD correction factor.Chapter 3 In shortcut rating mode. Unit Operation Models Version 10 3-9 . HeatX calculates the heat transfer coefficients using the film coefficients. three additional values are allowed: If Calculation Method is Exchanger geometry Film coefficients User subroutine Then HeatX calculates the heat transfer coefficient using exchanger geometry and stream properties to estimate film coefficients. set the Calculation Method on the Setup U Methods sheet. Calculating the Heat Transfer Coefficient To determine how the heat transfer coefficient is calculated. You can use any option on the Setup Film Coefficients sheet to calculate the film coefficients. You can choose from the following calculation options: If LMTD Correction Method is Then Constant Geometry User subroutine The LMTD correction factor you enter is constant. the LMTD correction factor is constant. In rigorous rating mode. indexed by the phase for the hot and cold streams A power law expression for the heat transfer coefficient as a function of one of the stream flow rates And you specify The constant value A constant value for each zone Constants for the power law expression Power law expression In rigorous rating mode. You can use these options in shortcut or rigorous rating mode: If Calculation Method is Constant value Phase-specific values HeatX uses A constant value for the heat transfer coefficient A different heat transfer coefficient for each heat transfer zone of the exchanger.

if you use film coefficients or exchanger geometry for the heat transfer coefficient calculation method. You can use any combination that is appropriate for your exchanger. use the Outlet Pressure fields on the Setup Pressure Drop sheet. In shortcut rating mode the pressure drop is constant. HeatX calculates the heat transfer coefficient using: 1 1 1 = + U hc hh Where: hc hh = = Cold stream film coefficient Hot stream film coefficient To choose an option for calculating film coefficients. In rigorous rating mode. indexed by the phase of the stream A power law expression for the film coefficient as a function of the stream flow rate The exchanger geometry and stream properties to calculate the film coefficient Power law expression Calculate from geometry The hot stream and cold stream film coefficient calculation methods are independent of each other. The following are available: If Calculation Method is Constant value HeatX uses A constant value for the film coefficient And you specify A constant value to be used throughout the exchanger A constant value for each phase Constants for the power law expression Phase-specific values A different film coefficient for each heat transfer zone (phase) of the exchanger. set the Calculation Method on the Setup Film Coefficients sheet.Heat Exchangers Film Coefficients HeatX does not calculate film coefficients in shortcut rating mode. Pressure Drop Calculations To enter exchanger pressure or pressure drop for the hot and cold sides. 3-10 Unit Operation Models Version 10 .

you may be required to enter some information about the exchanger configuration on the Geometry Shell sheet. You can set the correlations for pressure drop and liquid holdup that the Pipeline model uses on the Setup PressureDrop sheet. you can choose how pressure drops are calculated by setting the pressure options on the Setup PressureDrop sheet.Chapter 3 In rigorous rating mode. The following pressure drop options are available: If Pressure Option is Outlet Pressure Calculate from geometry Then You must enter the outlet pressure or pressure drop for the stream. film coefficients. TEMA Shell Types) • Number of tube passes • Exchanger orientation • Tubes in baffle window • Number of sealing strips • Tube flow for vertical exchangers Unit Operation Models Version 10 3-11 . If you choose Calculate From Geometry for any of the heat transfer coefficients. or pressure drop calculation methods. HeatX calculates the pressure drop using the exchanger geometry and stream properties HeatX calls the Pipeline model to calculate tube-side pressure drop. This sheet includes fields for: • TEMA shell type (see the next figure. Exchanger Configuration Exchanger configuration refers to the overall patterns of flow in the heat exchanger.

Heat Exchangers E Shell One Pass Shell F Shell Two Pass Shell with Longitudinal Baffle G Shell Split Flow H Shell Double Split Flow J Shell Divided Flow X Shell Cross Flow TEMA Shell Types 3-12 Unit Operation Models Version 10 .

required information includes: • Ring dimensions • Support rod geometry Unit Operation Models Version 10 3-13 . required information includes: • Baffle cut • Baffle spacing • Baffle clearances For rod baffles. Other required information depends on the baffle type.Chapter 3 The Geometry Shell sheet also contains two important dimensions for the shell: • Inside shell diameter • Shell to bundle clearance The next figure shows the shell dimensions. Outer Tube Limit Shell Diameter Shell to Bundle Clearance Shell Dimensions Baffle Geometry Calculation of shell-side film coefficient and pressure drop require information about the baffle geometry within the shell. Enter baffle geometry on the Geometry Baffles sheet. HeatX can calculate shell-side values for both segmental baffle shells and rod baffle shells. For segmental baffles.

HeatX also uses this information to calculate the heat transfer coefficient from the film coefficients. Baffle Cut Tube Hole Shell to Baffle Clearance Dimensions for Segmental Baffles Rod Diameter Ring Outside Diameter Ring Inside Diameter Dimensions for Rod Baffles Tube Geometry Calculation of the tube-side film coefficient and pressure drop require information about the geometry of the tubebank. The Baffle Cut in the Dimensions for Segmental Baffles figure is a fraction of the shell diameter. All clearances are diametric. Enter tube geometry on the Geometry Tubes sheet. 3-14 Unit Operation Models Version 10 .Heat Exchangers The next two figures show the baffle dimensions.

30 o 45 Tube Pitch o 60 Tube Pitch o 90 Tube Pitch o Tube Pitch Square Triangle Rotated Square Rotated Triangle Direction of Flow Tube Layout Patterns Fin Thickness Outside Diameter Root Mean Diameter Fin Height Fin Dimensions Nozzle Geometry Calculations for pressure drop include the calculation of pressure drop in the exchanger nozzles. Unit Operation Models Version 10 3-15 . The sheet also includes fields for: • Total number of tubes • Tube length • Tube diameters • Tube layout • Tube material of construction The next two figures show tube layout patterns and fin dimensions. Enter nozzle geometry on the Geometry Nozzles sheet.Chapter 3 You can select a heat exchanger with either bare or low-finned tubes. The next four tables list the model correlations. Model Correlations HeatX uses open literature correlations for calculating film coefficients and pressure drops.

vertical Laminar Laminar wavy Turbulent Shear-dominated Flow Regime Correlation Bell-Delaware Gentry Jensen Nusselt Kutateladze Labuntsov Rohsenow Kern References [10. 11] [12] [10.horizontal Tube-side Pressure Drop Correlations Mechanism Single-phase Two-phase † Correlation Darcy’s Law See Chapter 6 † See Pipeline. 11] [12] [13] [5] [6] [7] [8] [9] Condensation . [14] [12] 3-16 Unit Operation Models Version 10 . for the correlations available for two-phase pressure drop in a pipe.vertical tubes Boiling .horizontal tubes Condensation . Two-Phase Correlations. Shell-side Pressure Drop Correlations Mechanism Single-phase segmental Single-phase ROD Two-phase segmental Two-phase ROD Correlation Bell-Delaware Gentry Bell-Delaware method with Grant’s correction for twophase flow Gentry References [10.horizontal tubes Shell-side Heat Transfer Coefficient Correlations Mechanism Single-phase segmental Single-phase ROD Boiling Condensation .vertical tubes Laminar Laminar wavy Turbulent Shear-dominated Annular Stratifying Flow Regime Laminar Turbulent Correlation Schlunder Gnielinski Steiner/Taborek Shah Nusselt Kutateladze Labuntsov Rohsenow Rohsenow Jaster/Kosky method References [1] [1] [2] [3. 11]. 4] [5] [6] [7] [8] [8] [9] Condensation .Heat Exchangers Tube-side Heat Transfer Coefficient Correlations Mechanism Single-phase Boiling .

HeatX uses that set for both hot and cold side calculations. use the BlockOptions Properties sheet. Solids leave at the same temperature as the fluid phases. Solid Substreams Materials in solid substreams do not participate in phase equilibrium calculations. Unit Operation Models Version 10 3-17 . If you supply only one set of property specifications.Chapter 3 Flash Specifications Use the Options Flash Options sheet to enter flash specifications. Solids All phases are in thermal equilibrium. Electrolyte Chemistry Calculations You can request these on the Properties Specifications Global sheet or HeatX BlockOptions Properties sheet. or when you request electrolyte chemistry calculations. The salts are in the MIXED substream. You can use different physical property options for the hot side and cold side of the heat exchanger. Solid salts participate in liquid-solid phase equilibrium and thermal equilibrium calculations. If you want to perform these calculations Vapor phase Liquid phase 2-fluid flash phase 3-fluid flash phase 3-fluid phase free-water flash Solids only Solids? Yes or no Yes or no Yes or no Yes or no Yes or no Yes Set Valid Phases to Vapor-only Liquid-only Vapor-Liquid Vapor-Liquid-Liquid Vapor-Liquid-FreeWater Solid-only Physical Properties To override global or flowsheet section property specifications. HeatX can simulate fluid phases with solids when the stream contains solid substreams.

" Z. and Hsu.K. A. D. and Mayinger. New York: Hemisphere Publishing Corporation.. F. Hawaii. Labuntsov. "Delaware Method for Shell Side Design. July 1990. "Shell-and-Tube Heat Exchangers: Single Phase Flow. D. 1981. "RODBaffle Heat Exchanger Technology." In: International Journal of Heat and Mass Transfer." In: 1987 ASME-JSME Thermal Engineering Joint Conference. Shah.. 10. 1983. 87(1):185-196. and Kosky..C.. Kutateladze. Honolulu. "Effect of Vapor Velocity on Laminar and Turbulent Film Condensation. 82(2):66-86." In: Heat Transfer Engineering. 14. 3-18 Unit Operation Models Version 10 . Webber. Grant." In: ASHRAE Transactions.. Rohsenow. Gentry. 12. and Chisholm. Dtsch. 9.. J." In: Teploenergetika. A. 78:1637-1643. 13(2):4369. 2. Nusselt.M. "Flow Boiling Heat Transfer in Vertical Tubes Correlated by an Asymptotic Model. Fundamentals of Heat Transfer. pages 133-140.A.. Heat Exchangers: Thermal-Hydraulic Fundamentals and Design. M. 19:95-99.. 1976. 101(1):38-42. "Heat Transfer in Film Condensation of Pure Steam on Vertical Surfaces and Horizontal Tubes. 1916." In: Kakac. 1981. 4(7):72-80..M." In: Chemical Engineering Progress 86(7):48-57. 1956. M. 1979. Jaster.S. Steiner. "Two-Phase Flow on the Shell Side of a Segmentally Baffled Shell-and-Tube Heat Exchanger.. H. "Condensation Heat Transfer in a Mixed Flow Regime. New York: Academic Press. M. Ing. 5.. 4. "A Parametric Study of Boiling Heat Transfer in a Tube Bundle." In: ASHRAE Transactions. Bell.J." In: Transactions of the ASME. 3. 13. New York: Hemisphere Publishing Corp. Ver. 6." In: Journal of Heat Transfer.. "Chart Correlation for Saturated Boiling Heat Transfer: Equations and Further Study.. C.. New York: Hemisphere Publishing Corporation.T. J.Heat Exchangers References 1.. D. W. S. V.. I. Taborek. 1963. "Forced Convection in Ducts.T. editors.. 1957. 7. 1987.D. J. 11.E..G. "A New Correlation for Heat Transfer During Boiling Flow Through Pipes. K. Bergles.. J. Shah. and Ling.M. 8. 60(27):541-546." In: Heat Exchanger Design Handbook.. Jensen.R. 1976. S. 1992. W. 1983..H." In: Heat Exchanger Design Handbook. P. and Taborek. "Surface Condensation of Water Vapor. Gnielinski.

Chapter 3 MHeatX Multistream Heat Exchanger Use MHeatX to represent heat transfer between multiple hot and cold streams. MHeatX can also calculate the overall UA for the exchanger and model heat leak to or from an exchanger. Unit Operation Models Version 10 3-19 . MHeatX can perform a detailed. You can also use MHeatX for two-stream heat exchangers. such as in an LNG exchanger. Free water can be decanted from any outlet stream. Flowsheet Connectivity for MHeatX Cold Inlets (any number) Hot Outlets Hot Inlets (any number) Water (optional) Hot Outlets Water (optional) Cold Outlets Water (optional) Material Streams Inlet At least one material stream on the hot side. ASPEN PLUS automatically sequences block and stream convergence unless you specify a sequence or tear stream. MHeatX ensures an overall energy balance but does not account for the exchanger geometry. At least one material stream on the cold side One water decant stream for each outlet stream (optional) Outlet One outlet stream for each inlet stream The inlet stream sides are non-contacting. MHeatX uses multiple Heater blocks and heat streams to enhance flowsheet convergence. rigorous internal zone analysis to determine the internal pinch points and heating and cooling curves for all streams in the heat exchanger.

zone profiles. Specify the property methods on the BlockOptions Properties sheet. simulation options. and block-specific report options Specify heating or cooling curve tables and view tabular results Override global values for physical properties.Heat Exchangers Specifying MHeatX You must give outlet specifications for each stream on one side of the heat exchanger. and material and energy balance results Hcurves BlockOptions Results Zone Analysis MHeatX can perform a detailed. exchanger results. flash profiles. MHeatX assumes that all unspecified streams have the same outlet temperature. MHeatX convergence parameters. On the other side you can specify any of the outlet streams. flash convergence parameters. stream profiles. An overall energy balance determines the temperature of any unspecified stream(s). Use the following forms to enter specifications and view results for MHeatX: Use this form Input To do this Specify operating conditions. 3-20 Unit Operation Models Version 10 . specify Number of zones greater than 0 on the MHeatX Input Zone Analysis sheet. During zone analysis MHeatX can add: • • • Stream entry points (if all feed streams are not at the same temperature) Stream exit points (if all product streams are not at the same temperature) Phase change points (if a phase change occurs internally) MHeatX can also account for the nonlinearities of zone profiles by adding zones adaptively. flash table. rigorous internal zone analysis to determine: • Internal pinch points • UA and LMTD of each zone • Total UA of the exchanger • Overall average LMTD To obtain a zone analysis. parameters for zone analysis. Different streams can have different types of specifications. diagnostic message levels and report options for this block View stream results. You can use a different property method for each stream in MHeatX. MHeatX can perform zone analysis for both countercurrent and cocurrent heat exchangers. but you must leave at least one unspecified stream.

Chapter 3

Using Flash Tables in Zone Analysis
Use Flash Tables to estimate zone profiles and pinch points quickly. These tables are most useful for heat exchangers that have many streams, for which zone analysis calculations can take a long time. To use a Flash Table for a stream, specify the number of flash points for the stream on the MHeatX Input Flash Table sheet. When you specify a flash table for a stream, MHeatX generates a temperature-enthalpy profile of that stream before zone analysis, and interpolates that profile during zone analysis, rather than flashing the stream. You can also specify the fraction of total pressure drop in each phase region of a stream on the MHeatX Input Flash Table sheet. ASPEN PLUS uses these fractions to determine the pressure profile during Flash Table generation.

Computational Structure for MHeatX
The computational structure of MHeatX may affect your specifications. Unlike other unit operation blocks, MHeatX is not simulated by a single computation module. Instead, ASPEN PLUS generates heaters and heat streams to represent the multistream heat exchanger. A Heater block represents streams with outlet specifications. A multistream heater block represents streams with no outlet specifications. The next figure shows the computational structure generated for a sample exchanger.

$LNGH02 S3 HEATER S4 S5

$LNGH03 S6 HEATER $LNGQ03 S7

$LNGH04 S8 HEATER

$LNGQ02 $LNGHTR S1 LNGIN S2

$LNGQ04

MHEATER LNGOUT

Example of MHeatX Computational Structure
This computational sequence converges much more rapidly than simulation of MHeatX as a single block. Block results are given for the entire MHeatX sequence. In most cases, you do not need to know about the individual blocks generated in the sequence. The following paragraphs describe the exceptions.

Unit Operation Models Version 10

3-21

Heat Exchangers

Simulation history and control panel messages are given for the generated Heater blocks and heat streams. You can provide an estimate for duty of the internally generated heat stream. If the heat stream is a tear stream in the flowsheet, ASPEN PLUS uses this estimate as an initial value. You can give convergence specifications for the flowsheet resulting when MHeatX blocks are replaced by their generated networks. The generated Heater block and heat stream IDs must be used on the Convergence SequenceSpecifications and Convergence TearSpecifications sheets. Automatic flowsheet analysis is based on the flowsheet resulting when MHeatX blocks are replaced by generated Heater blocks. The generated Heater blocks, instead of the MHeatX block, appear in the calculation sequence. You can select generated heat streams as tear streams.

Solids
MHeatX can simulate fluid phases with solids when the stream contains solid substreams, or when you request electrolyte chemistry calculations. All phases are in thermal equilibrium. Solids leave at the same temperature as the fluid phases. Solid Substreams Materials in solid substreams do not participate in phase equilibrium calculations. Electrolyte Chemistry Calculations You can request these on the Properties Specifications Global sheet or the MHeatX BlockOptions Properties sheet. Solid salts participate in liquid-solid phase equilibrium and thermal equilibrium calculations. The salts are in the MIXED substream.

3-22

Unit Operation Models Version 10

Chapter 3

Hetran
Interface to the B-JAC Hetran Program for Shell and Tube Heat Exchangers
Hetran is the interface to the B-JAC Hetran program for designing and simulating shell and tube heat exchangers. Hetran can be used to simulate shell and tube heat exchangers with a wide variety of configurations. To use Hetran, place the block in the flowsheet, connect inlet and outlet streams, and specify a small number of block inputs, including the name of the B-JAC input file for that exchanger. You enter information related to the heat exchanger configuration and geometry through the Hetran standalone program interface. The exchanger specification is saved as a B-JAC input file. You do not have to enter information about the exchanger’s physical characteristics through the ASPEN PLUS user interface or through input language.

Flowsheet Connectivity for Hetran
Cold Inlet Hot Inlet Hot Water (optional)

Hot Outlet Cold Outlet Cold Water (optional)

Material Streams
Inlet

One hot inlet One cold inlet One cold outlet One water decant stream on the hot side (optional) One water decant stream on the cold side (optional)

Outlet One hot outlet

Unit Operation Models Version 10

3-23

Heat Exchangers

Specifying Hetran
Enter the input for the shell and tube heat exchanger through the Hetran program’s graphical user interface. The input for Hetran in ASPEN PLUS is limited to: • The B-JAC input file name that contains the heat exchanger specification • A set of parameters to control how property curves are generated • A set of Hetran program inputs that you can change from within ASPEN PLUS (for example, fouling factors and film coefficients) Use the following forms to enter specifications and view results for Hetran:
Use this form Input BlockOption s Results Detailed Results To do this Specify the name of the B-JAC input file, parameters for calculating the property curves, optional Hetran program inputs, flash convergence parameters, and valid phases Override global values for physical properties, simulation options, diagnostic message levels, and report options for this block View inlet and outlet stream conditions and material and energy balance results View overall results and detailed results for the shell side and tube side

Flash Specifications
Use the FlashOptions sheet to enter flash specifications.
If you want to perform these calculations Vapor phase Liquid phase 2-fluid flash phase 3-fluid flash phase 3-fluid phase free-water flash Solids only Solids? Yes or no Yes or no Yes or no Yes or no Yes or no Yes Set Valid Phases to Vapor-only Liquid-only Vapor-Liquid Vapor-Liquid-Liquid Vapor-Liquid-FreeWater Solid-only

3-24

Unit Operation Models Version 10

Chapter 3

Physical Properties
To override global or flowsheet section property specifications, use the FlashOptions sheet. You can use different physical property methods for the hot side and cold side of the heat exchanger. If you supply only one set of property specifications, Hetran uses that set for both hot- and cold-side calculations.

Solids
Hetran cannot currently handle streams with solids substreams.

Unit Operation Models Version 10

3-25

Heat Exchangers

Aerotran
Interface to the B-JAC Aerotran Program for Air-cooled Heat Exchangers
Aerotran is the interface to the B-JAC Aerotran program for designing and simulating air-cooled heat exchangers. Aerotran can be used to simulate aircooled heat exchangers with a wide variety of configurations. It can also be used to model economizers and the convection section of fired heaters. To use Aerotran, place the block in the flowsheet, connect inlet and outlet streams, and specify a small number of block inputs, including the name of the B-JAC input file for that exchanger. You enter information related to the air cooler configuration and geometry through the Aerotran standalone program interface. The air cooler specification is saved as a B-JAC input file. You do not have to enter information about the air cooler’s physical characteristics through the ASPEN PLUS user interface or through input language.

Flowsheet Connectivity for Aerotran
Cold Water (optional) Hot Inlet Cold (Air) Outlet

Hot Water (optional)

Hot Outlet

Cold (Air) Inlet

Material Streams
Inlet

One hot inlet One cold (air) inlet One cold (air) outlet One water decant stream on the hot side (optional) One water decant stream on the cold side (optional)

Outlet One hot outlet

3-26

Unit Operation Models Version 10

Chapter 3

Specifying Aerotran
Enter the input for the air-cooled heat exchanger through the Aerotran program’s graphical user interface. The input for Aerotran in ASPEN PLUS is limited to: • The B-JAC input file name that contains the heat exchanger specification • A set of parameters to control how property curves are generated • A set of Aerotran program inputs that you can change from within ASPEN PLUS (for example, fouling factors and film coefficients) Use the following forms to enter specifications and view results for Aerotran:
Use this form Input To do this Specify the name of the B-JAC input file, parameters for calculating the property curves, optional Aerotran program inputs, flash convergence parameters, and valid phases Override global values for physical properties, simulation options, diagnostic message levels, and report options for this block View inlet and outlet stream conditions and material and energy balance results View overall results, detailed results for the outside and tube side, and fan results

BlockOptions Results Detailed Results

Flash Specifications
Use the FlashOptions sheet to enter flash specifications.
If you want to perform these calculations Vapor phase Liquid phase 2-fluid flash phase 3-fluid flash phase 3-fluid phase free-water flash Solids only Solids? Yes or no Yes or no Yes or no Yes or no Yes or no Yes Set Valid Phases to Vapor-only Liquid-only Vapor-Liquid Vapor-Liquid-Liquid Vapor-Liquid-FreeWater Solid-only

Unit Operation Models Version 10

3-27

Heat Exchangers

Physical Properties
To override global or flowsheet section property specifications, use the FlashOptions sheet. You can use different physical property methods for the hot side and cold side of the air cooler. If you supply only one set of property specifications, Aerotran uses that set for both hot- and cold-side calculations.

Solids
Aerotran blocks cannot currently handle streams with solids substreams.

y

y

y

y

3-28

Unit Operation Models Version 10

Chapter 4

4

Columns
This chapter describes the unit operation models for distillation columns using shortcut and rigorous calculations, and for liquid-liquid extraction. The models are:
Model DSTWU Description Shortcut distillation design using the WinnUnderwood-Gilliland method Shortcut distillation rating using the Edmister method Shortcut distillation for complex petroleum fractionation units Rigorous fractionation Purpose Determines minimum reflux ratio, minimum number of stages, and either actual reflux ratio or actual number of stages Determines separation based on reflux ratio, number of stages, and distillate-tofeed ratio Determines product composition and flow, number of stages per section, and heat duty using fractionation indices Performs rigorous rating and design calculations for single columns Use For Columns with one feed and two product streams

Distl

Columns with one feed and two product streams Complex columns, such as crude units and vacuum towers Ordinary distillation, absorbers, strippers, extractive and azeotropic distillation, three-phase distillation, reactive distillation Heat integrated columns, air separation columns, absorber/stripper combinations ethylene plant primary fractionator quench tower combinations, petroleum refining applications continued

SCFrac

RadFrac

MultiFrac

Rigorous fractionation for complex columns

Performs rigorous rating and design calculations for multiple columns of any complexity

Unit Operation Models Version 10

4-1

Columns

Model PetroFrac

Description Petroleum refining fractionation

Purpose Performs rigorous rating and design calculations for complex columns in petroleum refining applications

Use For Preflash tower, atmospheric crude unit, vacuum unit, catalytic cracker main fractionator, delayed coker main fractionator, vacuum lube fractionator, ethylene plant primary fractionator and quench tower combinations Distillation columns, absorbers, strippers, reactive systems, heat integrated units, petroleum applications, such as crude and vacuum units, absorber-stripper combination Liquid-liquid extractors

RateFrac

Rate-based distillation

Performs rigorous rating and design for single and multiple columns. Based on nonequilibrium calculations. Does not require efficiencies and HETPs.

Extract

Rigorous liquid-liquid extraction

Models countercurrent extraction of a liquid stream using a solvent

RateFrac requires a separate license and can be used only by customers who have purchased it through a specific license agreement with Aspen Technology, Inc.

This chapter is organized into the following sections:
Section Shortcut Distillation Rigorous Distillation Liquid-Liquid Extraction Models DSTWU, Distl, SCFrac RadFrac, MultiFrac, PetroFrac, RateFrac Extract

4-2

Unit Operation Models Version 10

Chapter 4

DSTWU
Shortcut Distillation Design
DSTWU performs shortcut design calculations for single-feed, two-product distillation columns with a partial or total condenser. DSTWU assumes constant molal overflow and constant relative volatilities.
DSTWU uses this method/correlation Winn Underwood Gilliland To estimate Minimum number of stages Minimum reflux ratio Required reflux ratio for a specified number of stages or the required number of stages for a specified reflux ratio

For the specified recovery of light and heavy key components, DSTWU estimates: • Minimum reflux ratio • Minimum number of theoretical stages DSTWU then estimates one of the following: • Required reflux ratio for the specified number of theoretical stages • Required number of theoretical stages for the specified reflux ratio DSTWU also estimates the optimum feed stage location and the condenser and reboiler duties. DSTWU can produce tables and plots of reflux ratio versus number of stages.

Flowsheet Connectivity for DSTWU
Heat (optional)
1 2

Heat (optional) Distillate Water (optional)

Feed
N-1

N

Bottoms Heat (optional)

Heat (optional)

Unit Operation Models Version 10

4-3

Columns

Material Streams
Inlet

One material feed stream One bottoms stream One water decant stream from condenser (optional)

Outlet One distillate stream

Heat Streams
Inlet

One stream for condenser cooling (optional) One stream for reboiler heating (optional) One stream for reboiler heating (optional)

Outlet One stream for condenser cooling (optional)

Each outlet heat stream contains the net heat duty for either the condenser or the reboiler. The net heat duty is the inlet heat stream minus the actual (calculated) heat duty. If you use heat streams for the reboiler, you must also use them for the condenser.

Specifying DSTWU
Use the Input Specifications sheet to enter column specifications. The following table shows the specifications and what is calculated based on them:
Specification Recovery of light and heavy key components Number of theoretical stages Reflux ratio Result Minimum reflux ratio and minimum number of theoretical stages Required reflux ratio Required number of theoretical stages

DSTWU also estimates the optimum feed stage location, and the condenser and reboiler duties. DSTWU can generate an optional table of reflux ratio versus number of stages. Use the Input CalculationOptions sheet to enter specifications for the table.

4-4

Unit Operation Models Version 10

Chapter 4

Use the following forms to enter specifications and view results for DSTWU:
Use this form Input BlockOptions Results To do this Specify configuration and calculation options, block-specific report options, flash convergence parameters, valid phases, and DSTWU convergence parameters Override global values for physical properties, simulation options, diagnostic message levels, and report options for this block View summary results, material and energy balance results, and reflux ratio profile

Unit Operation Models Version 10

4-5

Columns

Distl
Shortcut Distillation Rating
Distl simulates multistage multicomponent columns with a feed stream and two product streams. Distl performs shortcut distillation rating calculations for a single-feed, twoproduct distillation column. The column can have either a partial or total condenser. Distl calculates product composition using the Edmister approach. Distl assumes constant mole overflow and constant relative volatilities.

Flowsheet Connectivity for Distl
Heat (optional)
1 2

Heat (optional) Distillate Water (optional)

Feed
N-1

N

Bottoms Heat (optional)

Heat (optional)

Material Streams
Inlet

One material feed stream One bottoms stream One water decant stream from condenser (optional)

Outlet One distillate stream

Heat Streams
Inlet

One stream for condenser cooling (optional) One stream for reboiler heating (optional) One stream for reboiler heating (optional)

Outlet One stream for condenser cooling (optional)

4-6

Unit Operation Models Version 10

Use the Input Convergence sheet to override default valid phases for condenser. and flash convergence parameters Override global values for physical properties. and model convergence parameters. and report options for this block View summary of column results and material and energy balance results Specify parameters for dynamic simulation Unit Operation Models Version 10 4-7 . diagnostic message levels. distillate to feed ratio. Specifying Distl Use the Input Specifications sheet to enter the number of stages. Use the following forms to enter specifications and view results for Distl: Use this form Input BlockOptions Results Dynamic To do this Specify basic column configuration. operating conditions. Distl convergence parameters. reflux ratio. convergence parameters for flash calculations. If you use heat streams for the reboiler.Chapter 4 Each outlet heat stream contains the net heat duty for either the condenser or the reboiler. The net heat duty is the inlet heat stream minus the actual (calculated) heat duty. you must also use them for the condenser. and other column specifications. simulation options.

SCFrac performs shortcut distillation calculations for columns with a single feed. SCFrac can model complex columns.Columns SCFrac Shortcut Distillation for Complex Columns Use SCFrac to simulate complex distillation columns with a single feed. These sections are numbered from the top down. SCFrac can perform free-water calculations in the condenser. optional stripping steam. SCFrac assumes: • Relative volatilities are constant for each section • The flow of liquid from section to section is negligible SCFrac does not handle solids. SCFrac also estimates the number of theoretical stages and the heating/cooling duty for each section. one optional stripping steam stream. and any number of products. and any number of products. such as crude units and vacuum towers. SCFrac divides a column with n products into n – 1 sections. Flowsheet Connectivity for SCFrac Distillate Side Products (any number) Steam (optional) Feed Bottoms Material Streams Inlet One material feed stream One optional stripping steam stream (used for all sections) One bottoms stream At least one side product stream Outlet One distillate stream 4-8 Unit Operation Models Version 10 .

You must also enter 2(n – 1) specifications from the following: • • • • • Fractionation index (number of theoretical stages at total reflux) of a section Total flow. you must specify: • Product pressure • Estimate of product flow or flow fraction based on feed flow You must specify the ratio of steam to product flow rate for all product streams except the distillate. A Multidraw Column P1 P2 Stream-1 P3 Stream-2 P4 Feed Stream-3 P5 Stream-4 P1 Feed Stream-1 P2 Stream-2 P3 Stream-3 P4 Stream-4 P5 SCFrac Multidraw Column Unit Operation Models Version 10 4-9 . Chapter 28) Difference of any pair of property set properties for one or a pair of product stream(s) Ratio of any pair of property set properties for one or a pair of product stream(s) Because SCFrac performs steam calculations. or recovery of any group of components for a product stream Value of a property set property for a product stream (see ASPEN PLUS User Guide. water must always be present. All water flow leaves with the top product stream. SCFrac Multidraw Column).Chapter 4 Specifying SCFrac SCFrac divides an n–product column into n – 1 sections (see the next figure. For each section. flow rate. SCFrac numbers the column sections from the top down.

and product summary 4-10 Unit Operation Models Version 10 . simulation options.Columns Use the following forms to enter specifications and view results for SCFrac: Use this form Input BlockOptions Results To do this Specify operating parameters. diagnostic message levels. and report options for this block View condenser results. SCFrac convergence parameters. material and energy balance results. design specification results. valid phases. and flash convergence parameters Override global values for physical properties. section profiles.

Chapter 4 RadFrac Rigorous Fractionation RadFrac is a rigorous model for simulating all types of multistage vapor-liquid fractionation operations. Although RadFrac assumes equilibrium stages. These operations include: • Ordinary distillation • Absorption • Reboiled absorption • Stripping • Reboiled stripping • Extractive and azeotropic distillation RadFrac is suitable for: • Two-phase systems • Three-phase systems • Narrow and wide-boiling systems • Systems exhibiting strong liquid phase nonideality RadFrac can detect and handle a free-water phase or other second liquid phase anywhere in the column. RadFrac can model salt precipitation. You can use RadFrac to size and rate columns consisting of trays and/or packings. or they can be: • Equilibrium • Rate-controlled • Electrolytic RadFrac can also model columns in which two liquid phases and chemical reactions occur simultaneously. RadFrac can handle solids on every stage. In addition. Reactions can have fixed conversions. RadFrac can model both random and structured packings. RadFrac can handle pumparounds leaving any stage and returning to the same stage or to a different stage. using different reaction kinetics for the two liquid phases. you can specify either Murphree or vaporization efficiencies. RadFrac can model columns in which chemical reactions are occurring. Unit Operation Models Version 10 4-11 . You can manipulate Murphree efficiencies to match plant performance.

each returning to a different user-specified stage. Pumparounds can go between any two stages. 4-12 Unit Operation Models Version 10 . or to the same stage. Or they can be split into any number of streams. and thermosyphon reboiler flows. Decanter outlet streams can return to the stage immediately below. or both Each stage can have: • Any number of inlet streams • Up to three outlet streams (one vapor and two liquid) Outlet streams can be partial or total drawoffs of the stage flows. pumparound flows. A pseudoproduct stream does not affect column results.Columns Flowsheet Connectivity for RadFrac Top Stage or Condenser Heat Duty Vapor Distillate 1 Heat (optional) Liquid Distillate Water Distillate (optional) Products (optional) Decanters Return Boil-Up Nstage Heat (optional) Bottoms Product Feeds Heat (optional) Heat (optional) Heat (optional) Bottom Stage or Reboiler Heat Duty Reflux RadFrac can have any number of: • Stages • Interstage heaters/coolers • Decanters • Pumparounds Material Streams Inlet At least one inlet material stream One water distillate product stream (optional) One bottoms liquid product stream Up to three side product streams per stage (optional) Any number of pseudo-product streams (optional) Outlet One vapor or liquid distillate product stream. Any number of pseudoproduct streams can represent column internal flows.

and pumparounds. If you do not give two specifications on the Pumparounds Specifications sheet. The inlet heat stream supplies the required heating or cooling. If you give two specifications on the Setup Configuration sheet or Pumparounds Specifications sheet. RadFrac uses a heat stream as a specification for pumparounds. RadFrac does not use the inlet heat stream as a specification. reboiler. RadFrac uses a heat stream as a specification for the condenser and reboiler. reboiler.Chapter 4 Heat Streams Inlet One inlet heat stream per stage (optional) One heat stream per pumparound (optional) One heat stream per pumparound (optional) Outlet One outlet heat stream per stage (optional) RadFrac uses an inlet heat stream as a duty specification for all stages except the condenser. If you do not give two column operating specifications on the Setup Configuration sheet. The value of the outlet heat stream equals the value of the inlet heat stream (if any) minus the actual (calculated) heat duty. and pumparounds. Specifying RadFrac This section describes the following topics on RadFrac column configuration: • Stage Numbering • Feed Stream Conventions • Columns Without Condensers or Reboilers • Reboiler Handling • Heater and Cooler Specifications • Decanters • Pumparounds Use the following forms to enter specifications and view results for RadFrac: Use this form Setup DesignSpecs Vary HeatersCoolers Pumparounds To do this Specify basic column configuration and operating conditions Specify design specifications and view convergence results Specify manipulated variables to satisfy design specifications and view final values Specify stage heating or cooling Specify pumparounds and view pumparound results continued Unit Operation Models Version 10 4-13 . Use optional outlet streams for the net heat duty of the condenser.

simulation options. tray sizing and rating. Feed Stream Conventions Use the Setup Streams sheet to specify the feed and product stages. diagnostic message levels.Columns Use this form Pumparounds Hcurves Decanters Efficiencies Reactions CondenserHcurves ReboilerHcurves TraySizing TrayRating PackSizing PackRating Properties Estimates Convergence Report BlockOptions UserSubroutines ResultsSummary Profiles Dynamic To do this Specify pumparound heating or cooling curve tables and view tabular results Specify decanters and view decanter results Specify stage. KLL calculations. and packing sizing and rating View key column results for the overall RadFrac column View and specify column profiles Specify parameters for dynamic simulations Stage Numbering RadFrac numbers stages from the top down. and report options for this block Specify user subroutines for reaction kinetics. and conversion reaction parameters Specify condenser heating or cooling curve tables and view tabular results Specify reboiler heating or cooling curve tables and view tabular results Specify sizing parameters for tray column sections and view results Specify rating parameters for tray column sections and view results Specify sizing parameters for packed column sections and view results Specify rating parameters for packed column sections and view results Specify physical property parameters for column sections Specify initial estimates for stage temperatures. and compositions Specify convergence parameters for the column and feed flash calculations. RadFrac provides three conventions for handling feed streams: • Above-Stage • On-Stage • Decanter (for three phase calculations only) 4-14 Unit Operation Models Version 10 . and block-specific diagnostic message levels Specify block-specific report options and pseudostreams Override global values for physical properties. component or sectional efficiencies Specify equilibrium. vapor and liquid flows. starting with the condenser (or starting with the top stage if there is no condenser). kinetic.

) When the feed convention is Above-Stage. n-1 Vapor Mixed feed to stage n Liquid n RadFrac Feed Convention Above-Stage n-1 Mixed feed to stage n n n+1 RadFrac Feed Convention On-Stage When the Feed Convention is On-Stage. RadFrac Feed Convention Above-Stage and RadFrac Feed Convention On-Stage. Feed convention Decanter is used only in three-phase calculations (Valid Phases=Vapor-Liquid-Liquid on the Setup Configuration sheet) involving decanters. The liquid portion flows to the stage you specify. Unit Operation Models Version 10 4-15 . The vapor portion flows to the stage above. You can introduce a feed directly to a decanter attached to a stage using this convention. You can introduce a vapor feed to the bottom stage (or reboiler) by specifying Stage= the number of equilibrium stages + 1. RadFrac introduces a material stream between adjacent stages. You can introduce a liquid feed to the top stage (or condenser) by specifying Stage=1.Chapter 4 (See the following figures. both the liquid and vapor portions of a feed flow to the stage you specify.

1 Nstage Reboiler Bottoms (B) Thermosyphon Reboiler 4-16 Unit Operation Models Version 10 . Select Thermosyphon for Reboiler on the Setup Configuration sheet. By default. By default. If the column has no Condenser Reboiler Then specify None for Condenser None for Reboiler On sheet Setup Configuration Setup Configuration Reboiler Handling RadFrac can model two reboiler types: • Kettle • Thermosyphon A kettle reboiler is modeled as the last stage in the column on the Setup Configuration sheet.Columns Columns Without Condensers or Reboilers You can specify the column configuration on the Setup Configuration sheet. You can also use the Reboiler Return Feed Convention on the Reboiler sheet to specify Above-Stage.1. The next figure shows the thermosyphon reboiler configuration. Enter all other thermosyphon reboiler specifications on the Setup Reboiler sheet. A thermosyphon reboiler is modeled as a pumparound with a heater. RadFrac returns the reboiler outlet to the last stage using the On-Stage feed convention. RadFrac uses a kettle reboiler. This directs the vapor portion of the reboiler outlet to Stage= the number of equilibrium stages . Select Kettle for reboiler. from and to the bottom stage. Nstage . enter Reboiler Duty as one of the operating specifications on the Setup Configuration sheet or leave it as a calculated value. To specify the reboiler duty.

you must specify the reboiler heat duty on the Setup Configuration sheet. If you do not enter a value.Chapter 4 The thermosyphon reboiler model has five related variables: • Pressure • Flow rate • Temperature • Temperature change • Vapor fraction You must specify one of the following: • • • • • • • Temperature Temperature change Vapor fraction Flow rate Flow rate and temperature Flow rate and temperature change Flow rate and vapor fraction If you choose an option consisting of two variables. The reboiler pressure is optional. RadFrac calculates the duty and outlet temperature of the heating/cooling fluid simultaneously with the column. RadFrac uses the bottom stage pressure. enter a positive duty for heating and a negative duty for cooling. specify the: • • • UA Heating or cooling fluid component Flow and inlet temperature of the fluid Unit Operation Models Version 10 4-17 . If you request UA calculations on the HeatersCoolers UtilityExchangers sheet. Heater and Cooler Specifications You can specify interstage heaters and coolers in one of two ways: • Specifying the duty directly on the HeatersCoolers SideDuties sheet • Requesting UA calculations on the HeatersCoolers UtilityExchangers sheet If you specify the duty directly on the HeatersCoolers SideDuties sheet. The UA calculations: • Assume the stage temperature is constant • Use an arithmetic average temperature difference • Assume the heating or cooling fluid does not experience any phase change To request UA calculations. RadFrac treats the value you enter for the reboiler heat duty as an initial estimate.

If you do not specify Temperature and Degrees Subcooling. Enter decanter specifications on the Decanters form. By default RadFrac returns decanter streams to the stage immediately below. This prevents dry stages. When return streams do not go to the next stage. RadFrac calculates the heat capacity using the block property method. you can define any number of decanters. But you can also use a different property method. Fraction of 2nd Liquid Returned on the Decanters Specifications sheet). Use the Pumparounds form to enter all pumparound specifications. the decanter is operated at the temperature of the stage to which the decanter is attached. Decanters For three-phase calculations (Valid Phases=Vapor-Liquid-Liquid on the Setup Configuration sheet). You must enter the source and destination stage locations for pumparounds. For the decanter on the top stage. By default.Columns You can specify the heat capacity of the fluid directly on the HeatersCoolers UtilityExchangers sheet or RadFrac can compute it from a property method. You can enter Temperature and Degrees Subcooling on the Decanters Options sheet to model subcooled decanters. You can split a return stream into any number of streams by giving a split fraction (Split Fraction of Total Return for the 1st Liquid and 2nd Liquid). RadFrac calculates their flow rates from the Fraction of 1st Liquid Returned and Fraction of 2nd Liquid Returned. a feed or pumparound must go to the next stage. Each resulting stream may go to a different return stage. If RadFrac computes the heat capacity. If side product streams are decanter products. you must also enter the pressure and phase of the heating or cooling fluid. you must always specify both Fraction of 1st Liquid Returned and Fraction of 2nd Liquid Returned. You can also specify the heat loss for sections of the column on the HeatersCoolers HeatLoss sheet. For decanters on other stages. You can return the decanter streams to any other stage by entering a different Return Stage number on the Decanters Specifications sheet. you cannot specify their flow rates. A pumparound can be either a partial or total drawoff of the: • Stage liquid • First liquid phase 4-18 Unit Operation Models Version 10 . Pumparounds RadFrac can handle pumparounds from any stage to the same or any other stage. you must enter the return fraction of at least one of the two liquid phases (Fraction of 1st Liquid Returned.

The default pumparound pressure is the same as the source stage pressure. you must enter one of the following specifications: • Temperature • Temperature change • Vapor fraction • Heat Duty Vapor fraction is allowed only when Valid Phases=Vapor-Liquid or Vapor-Liquid-Liquid. Use the Pumparounds Specifications sheet to enter these operating specifications. you must enter two of the following specifications: • Flow rate • Temperature • Temperature change • Vapor fraction • Heat Duty If the pumparound is a total drawoff. You can use Return-Phase on the Pumparounds Specifications sheet to assign a different phase at the heater/cooler outlet. You can select above-stage using the Return option field. Pressure specification is optional. RadFrac can return the pumparound to a stage using either the: • On-stage option • Above-stage option (returns the pumparound to the column between two stages) In three-phase columns. You can override the phase condition using the Valid phases field on Pumparound Specifications sheet. RadFrac assumes that the pumparound at the heater/cooler outlet has the same phase condition as the pumparound at the inlet. Or you can specify Valid Phases=VaporLiquid or Vapor-Liquid-Liquid and let RadFrac determine the return phase condition from the heater/cooler specifications. RadFrac assumes the pumparound at the heater/cooler outlet has the same phase condition as the inlet. RadFrac can also return the pumparound to a decanter associated with a stage. If the pumparound is a partial drawoff of the stage flow.Chapter 4 • • Second liquid phase Vapor phase You can associate a heater or cooler with a pumparound. Unit Operation Models Version 10 4-19 .

Chapter 6. (See ASPEN PLUS Physical Property Methods and Models. When you choose completely rigorous three-phase calculations on all stages selected. j K i. Specify one of the following on the Setup Configuration sheet: Valid Phases= Vapor-Liquid-FreeWaterCondenser Vapor-Liquid-FreeWaterAnyStage Vapor-Liquid-Liquid On Sheet Setup Configuration Setup Configuration Setup Configuration For Free water in the condenser only Free water on all stages Rigorous three-phase calculations For RadFrac calculations. only free water can be decanted from the condenser.Columns Free-Water and Rigorous Three-Phase Calculations RadFrac can perform both free-water and rigorous three-phase calculations. you must also specify which stages to test for two liquid phases on the Setup 3-Phase sheet. You can associate a decanter with any stage. You cannot use nonideal for the Overall Loop convergence method. You cannot use Sum-Rates for the Overall Loop convergence method.) These calculations are controlled by options you specify on the Setup Configuration sheet. j 4-20 Unit Operation Models Version 10 . j x i . You can select from three types of calculations: • • • Free water in the condenser only Free water on any or all stages Rigorous three-phase calculations When you choose free-water calculations in the condenser. Efficiencies You can specify one of two types of efficiencies: • Vaporization • Murphree Vaporization efficiency is defined as: Effi v = yi . RadFrac makes no assumptions about the nature of the two liquid phases.

Magnitudes of the efficiencies can be quite different. 1981. Fundamentals of Multi-Component Distillation. enter the number of actual stages on the Setup Configuration sheet. McGrawHill Book Company. j − yi . use design specifications on the DesignSpecs and Vary forms. For three-phase calculations. j + 1 K k .Chapter 4 Murphree efficiency is defined as: Eff i . You should manipulate the Murphree efficiency to match the operating data when: • Efficiency is unknown • Actual column operating data are available When manipulating the Murphree efficiency. You can use any of these efficiencies to account for departure from equilibrium. But you cannot convert from one efficiency to the other. j − y i . You cannot enter separate efficiencies for VL1E and VL2E when you specify equilibrium reactions or when using Murphree efficiencies. Then use the Efficiencies form to enter the efficiencies.M = j Where: K x y y i . j x i . the vaporization and Murphree efficiencies you enter apply equally to the following equilibrium by default: • Vapor-liquid1 (VL1E) • Vapor-liquid2 (VL2E) You can use the Efficiencies form to enter separate efficiencies for VL1E and VL2E. Details on using and estimating efficiencies are described by Holland. Unit Operation Models Version 10 4-21 . j +1 = = = v Equilibrium K value Liquid mole fraction Vapor mole fraction Vaporization efficiency Eff Eff i j = M = Murphree efficiency = = Component index Stage index To specify vaporization or Murphree efficiencies.

Petroleum and Petrochemical Applications In petroleum and petrochemical applications involving extremely wide-boiling mixtures and/or many components and design specifications. especially for columns with many stages and components. choose Nonideal in the Algorithm field on the Convergence Basic sheet to improve the convergence behavior. Newton is better for columns with highly sensitive specifications. Azeotropic A classic example of azeotropic distillation is ethanol dehydration using benzene. You can improve convergence behavior for the following applications using the guidelines described in this section: • Petroleum and Petrochemical Applications • Highly Nonideal Systems • Azeotropic Distillation • Absorbers and Strippers • Cryogenic Applications To change the algorithm and initialization option on the Convergence Basic sheet. Azeotropic Distillation For azeotropic distillation applications where an entraining agent separates an azeotropic mixture. you can improve the convergence efficiency and reliability by choosing Sum-Rates in the Algorithm field on the Convergence Basic sheet. Highly Nonideal Systems When liquid phase nonidealities are exceptionally strong. specify the following on the Convergence Basic sheet: • • Algorithm. Newton Initialization method.Columns Algorithms You can select an algorithm and/or initialization option for column simulation on the Convergence Basic sheet. But it is usually slower. The default standard algorithm and standard initialization option are appropriate for most applications. 4-22 Unit Operation Models Version 10 . you must first choose Custom as the option in the Convergence field on the Setup Configuration sheet. Use this algorithm only when the number of outside loop iterations (using the standard algorithm) exceeds 25. You can also use the Newton algorithm for highly nonideal systems.

Rating mode requires different column specifications for two. or Partial-Vapor condenser and two operating specifications A Total. specify Condenser=None and Reboiler=None on the Setup Configuration sheet. you can also specify the degrees subcooling or the subcooled temperature.and three-phase calculations. or Partial-Vapor condenser and one operating specification Two operating specifications. you must enter the following on the Setup Form: • Valid Phases=Vapor-Liquid or Vapor-Liquid-FreeWaterCondenser for handling free water in condenser • A Total. The required specifications depend on what you specify for the return fractions of the two liquid phases (Fraction of 1st Liquid Returned and Fraction of 2nd Liquid Returned) in the top stage decanter.Chapter 4 Absorbers and Strippers To model absorbers and strippers. specify Cryogenic for Initialization on the Convergence Basic sheet. To invoke a special initialization procedure designed for cryogenic systems. Subcooled. you must specify Valid Phases= Vapor-LiquidLiquid or Vapor-Liquid-FreeWaterAnyStage (for free water calculations) on the Setup Configuration sheet. For two-phase calculations. Subcooled. RadFrac assumes a partial condenser with both vapor and liquid distillates. or Partial-Vapor condenser • Two additional column operating variables If the condenser or reflux is subcooled. the standard algorithm is recommended. The heat duty is zero for adiabatic operation. The following table lists the three specification options: If you specified this on Decanters Specifications Fraction of 1st Liquid Returned or Fraction of 2nd Liquid Returned. specify one of the following: • Algorithm=Sum-Rates on the Convergence Basic sheet • Convergence=Standard on the Setup Configuration sheet and choose Absorber=Yes on the Convergence Basic sheet Cryogenic Applications For cryogenic applications such as air separation. and an estimate for the amount of vapor in the distillate on the Estimates Vapor Composition sheet. or no top decanter Fraction of 1st Liquid Returned and Fraction of 2nd Liquid Returned Fraction of 1st Liquid Returned and Fraction of 2nd Liquid Returned Enter on Setup Configuration A Total. Rating Mode RadFrac allows the column to be operated in a rating mode or a design mode. For three-phase calculations. Unit Operation Models Version 10 4-23 . For extremely wide-boiling mixtures. Subcooled.

or standard liquid volume fractions of any group of components relative to any other group of components . and decanters • Pressures of thermosyphon reboiler and pumparounds • UA specifications for heaters The flow rates of inlet material streams and the duties of inlet heat streams can also be manipulated variables. use the DesignSpecs form to specify column performance parameters (such as purity or recovery). These are the design specifications: You can specify Purity Recovery of any components groups Flow rate of any components groups Temperature Value of any Prop-Set property Ratio or difference of any pair of Prop-Set properties Flow ratio of any components groups to any other component groups † For any Stream including internal streams † †† Set of product streams.Columns Design Mode RadFrac allows the column to be operated in rating mode or design mode. You must indicate which variables to manipulate to achieve these specifications. See ASPEN PLUS User Guide. including sidestreams Internal stream or set of product streams Stage Internal or product stream ††† Single or paired internal or product streams Internal streams to any other internal streams. †† ††† 4-24 Unit Operation Models Version 10 . or to any set of feed or product streams Express the purity as the sum of mole. In design mode. products. except: • Number of stages • Pressure profile • Vaporization efficiency • Subcooled reflux temperature • Degrees of subcooling • Decanter temperature and pressure • Locations of feeds. pumparounds. Express recovery as a fraction of the same components in any set of feed streams. heaters. mass. You can manipulate any variables that are allowed in rating mode.

To associate reactions and salt precipitation with a column segment. For conversion reactions. to model the presence of catalyst). use the Reactions Conversion sheet to override the conversion parameters specified on the Reactions Conversion form. Solution Strategies RadFrac uses two general approaches for column convergence: • • Inside-out Napthali-Sandholm Unit Operation Models Version 10 4-25 . RadFrac can model the following types of reactions: • Equilibrium-controlled • Rate-controlled • Conversion • Electrolytic RadFrac can also model salt precipitation. For electrolytic reactions. you can also enter the reaction data on the Reactions Chemistry form outside RadFrac. or use separate reaction kinetics for the two liquid phases. RadFrac allows two different reaction model types: REAC-DIST or USER. Use the Reactions Holdups or Residence Times sheets. For three-phase calculations. or conversion parameters on the generic Reactions form outside RadFrac. you can restrict reactions to one of the two liquid phases. To consider salt precipitation. kinetic. These reactions can occur in the liquid and/or vapor phase. For rate-controlled reactions. you must enter equilibrium constant. especially in the case of electrolytic systems. To include reactions in RadFrac you must enter the following information on the Reactions Specifications sheet: • Reaction type and Reaction/Chemistry ID • Column section in which the reactions occur Depending on the reaction type. RadFrac also supports User Reaction Subroutine. or you can restrict reactions to a certain column segment (for example. enter the salt precipitation parameters on the Reactions Salt sheet or the Reactions Chemistry form outside RadFrac.Chapter 4 Reactive Distillation RadFrac can handle chemical reactions. You can request reaction calculations for the entire column. you must enter holdup or residence time data in the phase where the reactions occur. The details about the reactions are entered on a generic Reactions form outside RadFrac. enter the corresponding Reactions ID (or Chemistry ID) on the Reactions Specifications sheet. The name and other details of the reaction subroutine are entered on the UserSubroutines form.

enthalpy balance. Design specifications may be solved either simultaneously with the columndescribing equations or in an outer loop. and nonideal algorithms are variants of the inside-out approach. PetroFrac. The K-value and enthalpy models you specify are evaluated only in the outside loop to determine parameters of simplified local models. In the inside loop. RadFrac solves these equations to obtain updated temperature and composition profiles. When using nonideal. The local model parameters are the outside loop iteration variables. The outside loop is converged when the changes of the outside loop iteration variables are sufficiently small from one iteration to the next. Newton Algorithm The Newton algorithm solves column-describing equations simultaneously. algorithm RadFrac introduces a composition dependence into the local models. the basic describing equations (component mass balances. The MultiFrac. using Newton’s method. Convergence uses a combination of the bounded Wegstein method and the Broyden quasi-Newton method for selected variables. The convergence is stabilized using the dogleg strategy of Powell. total mass balance. The Newton algorithm uses the classical Napthali-Sandholm approach. sum-rates. Inside-Out Algorithms The inside-out algorithms consist of two nested iteration loops. Convergence uses one of the following methods: • Bounded Wegstein • Broyden quasi-Newton • Schubert quasi-Newton • Newton RadFrac adjusts the inside loop convergence tolerance with each outside loop iteration. Use the Convergence form to select the algorithm and specify the associated parameters. and phase equilibrium) are expressed in terms of the local physical property models. The tolerance becomes tighter as the outside loop converges. Design Mode Convergence RadFrac provides two methods for handling design specification convergence: • Nested convergence • Simultaneous convergence 4-26 Unit Operation Models Version 10 . and Extract models also use this approach.Columns The standard.

When a value of a manipulated variable reaches a bound. The number of design specifications must be equal to or greater than the number of manipulated variables. so that different specification types are compared on a consistent basis. You should carefully select the manipulated variables and design specifications. The larger the weighting factor. assign weighting factors to reflect the relative importance of the specifications. Unit Operation Models Version 10 4-27 . that bound is active. RadFrac minimizes Φ . If there are active bounds or more design specifications than manipulated variables. Make sure that each manipulated variable has a significant effect on at least one design specification. then Φ will approach zero (within some tolerance) when all specifications are satisfied. If there are more design specifications than manipulated variables. If a problem has no active bounds and the same number of manipulated variables as design specifications. the more nearly a specification will be satisfied. Scale factors normalize the errors.Chapter 4 Nested Design Spec Convergence (for all algorithms except SUM-RATES) The Nested Middle Loop convergence method attempts to satisfy the design specifications by determining the values of the manipulated variables (within their bounds) that minimize the weighted sum of squares function:  ∧  G m − GM  Wm  * Gm     2 Φ= ∑ m Where: m G ∧ = = = = = Design specification number Calculated value Desired value Scaling factor Weighting factor G G* w The algorithm that manipulates the variables to minimize Φ does not depend on matching particular variables with corresponding design specifications. The weighting factors determine the relative degree to which the design specifications are satisfied.

Bounds and weighting factors are not used. no coupling is assumed between design specifications and manipulated variables. You can specify different physical properties for different parts of the column. the Simultaneous method gives better performance if all the specifications are feasible. there must be an equal number of design specifications and manipulated variables. you can specify separate calculation methods for Vapor-Liquid1 Equilibrium (VL1E) and Liquid1-Liquid2 Equilibrium (LLE). Use one of the following methods: • Associate separate property methods with VL1E and LLE using the Phase Equilibrium list box • Calculate VL1E using a property method.Columns Simultaneous Design Spec Convergence (for Algorithm=SUM-RATES. In general. and associate the coefficients with one or more column segments. Physical Properties To override the global physical property method. Solids Handling RadFrac has two methods for handling inert solids: • Overall-balance • Stage-by-stage 4-28 Unit Operation Models Version 10 . Or you can use the Properties KLLCorrelations sheet to associate a user-KLL subroutine with one or more column segments. In the nested method. Specify LLE using liquid-liquid distribution (KLL) coefficients You can use the Properties KLLSections sheet to enter the KLL coefficients using a built-in temperature polynomial. each design specification must be significantly affected by at least one manipulated variable. However. NEWTON) The Simultaneous Middle Loop convergence method algorithm solves the design specification functions simultaneously with the column-describing equations: ∧   G m − GM  Fm =   =0 * Gm     Because the Simultaneous Middle Loop convergence method uses an equationsolving approach. use the Properties PropertySections sheet. For three-phase calculations.

When you specify a decanter. The overall-balance method: • Temporarily removes all solids from inlet streams • Performs column calculations without solids • Adiabatically mixes solids removed from inlet streams with liquid product from the bottom stage The overall-balance method maintains an overall mass and energy balance around the column. However. Neither method considers inert solids in the phase equilibrium calculations. The specified product flow is the total flow rate of the stream.Chapter 4 Use the Solids handling option on the Convergence Basic sheet to select either an overall balance or stage-by-stage. RadFrac uses the return fraction you specify for the first liquid phase (Fraction of 2nd Liquid Returned on the Decanters Specifications sheet) in this case. The two methods differ in how they treat solids in the mass and energy balances. Unit Operation Models Version 10 4-29 . The stage-by-stage method treats solids rigorously in all stage mass and energy balances. RadFrac can decant the solids partially or totally. RadFrac decants the solids partially along with the second liquid phase. This is the default method. you must give all column flow and flow ratio specifications on a mass basis. But it does not satisfy individual stage balances. including the solids. By default. RadFrac decants the solids partially along with the first liquid phase. salts formed by salt precipitation reactions (see Reactive Distillation) are considered in phase equilibrium calculations. If a nonconventional (NC) solids substream is present in the column feeds. The ratio of liquids to solids on a stage is maintained in the product streams withdrawn from that stage. You can request complete decanting of the solids by selecting Decant Solids Totally on the Decanters Options sheet. If there is no second liquid phase in the decanter. RadFrac uses the return fraction you specify for the second liquid phase (Fraction of 2nd Liquid Returned on the Decanters Specifications sheet) to decant the solids.

But for these applications. MultiFrac can detect a free-water phase in the condenser or anywhere in the column. 4-30 Unit Operation Models Version 10 . each with any number of stages • Any number of connections between columns or within each column • Arbitrary flow splitting and mixing of connecting streams MultiFrac can handle operations with: • Side strippers • Pumparounds • External heat exchangers • Single-stage flashes • Feed furnace Typical MultiFrac applications include: • Heat-interstaged columns. MultiFrac can model both random and structured packings. such as Petlyuk towers • Air separation column systems • Absorber/stripper combinations • Ethylene plant primary fractionator/quench tower combinations You can also use MultiFrac for petroleum refining fractionation units such as atmospheric crude units and vacuum units. MultiFrac models can handle a complex configuration consisting of: • Any number of columns. PetroFrac is more convenient to use. Although MultiFrac assumes equilibrium stage calculations. It can decant the free-water phase on any stage. you can specify either Murphree or vaporization efficiencies.Columns MultiFrac Rigorous Fractionation MultiFrac is a rigorous model for simulating general systems of interlinked multistage fractionation units. Use MultiFrac only when the configuration is beyond the capabilities of PetroFrac. You can use MultiFrac for both sizing and rating trays and packings.

Chapter 4 Flowsheet Connectivity for MultiFrac Top Stage or Condenser Heat Duty (optional) Vapor Distillate 1 Reflux Heat Liquid Distillate (optional) Water Distillate (optional) Side Products (optional) Feeds Heat Interconnecting Streams (Heater Optional) Interconnecting Streams (Heater Optional) Heat (optional) Pumparounds and Bypasses (Heater Optional) Nstage Nstage Bottom Stage or Reboiler Heat Duty (optional) Heat (optional) Bottoms (or Interconnecting Stream) Top Stage or Condenser Heat Duty (optional) Vapor Distilate 1 Heat Liquid Distillate (optional) Water Distillate (optional) Feeds Side Products (optional) Heat Interconnecting Streams (Heater Optional) Interconnecting Streams (Heater Optional) Heat (optional) Pumparounds and Bypasses (Heater Optional) Nstage Bottom Stage or Reboiler Heat Duty (optional) Heat (optional) Bottoms (or Interconnecting Stream) Unit Operation Models Version 10 4-31 .

which cannot be a connecting stream. 3. and one free water) Outlet Any number of optional pseudo-product streams You can connect any number of columns by any number of connecting streams. and connecting streams. For each column. Heat Streams Inlet One inlet heat stream per stage (optional) One inlet heat stream per connecting stream (optional) Outlet One outlet heat stream per connecting stream (optional) MultiFrac uses an inlet heat stream as a duty specification for all stages except the condenser. You can use optional outlet heat streams for the net heat duty of the condenser. 4-32 Unit Operation Models Version 10 .. The value of the outlet heat stream equals the value of the inlet heat stream (if any). Each column must have one liquid product or connecting stream leaving the bottom stage. reboiler. Each connecting stream can have an associated heater.. or to the same stage. These streams can flow between any two stages. The pseudoproduct streams represent column internal flows and connecting stream flows. minus the actual (calculated) heat duty. The inlet heat stream supplies the required heating or cooling. MultiFrac uses a heat stream as a specification for connecting streams. If you do not provide two column operating specifications on the Columns Setup Configuration sheet. any number of connecting streams can represent pumparounds and bypasses. If you provide two specifications on the Columns Setup Configuration sheet or ConnectStreams form.Columns Material Streams Inlet At least one inlet material stream Up to three optional outlet material streams per stage (one vapor. reboiler.) must have a vapor product or a vapor connecting stream. MultiFrac does not use the inlet heat stream as a specification. one liquid. . The top stage of the main column (column 1) must have a product stream. If you do not provide two specifications on the ConnectStreams form. The top stage of the other columns (column 2. MultiFrac uses a heat stream as a specification for the condenser and reboiler. and connecting streams.

and block-specific diagnostic message levels Specify block-specific report options and pseudostream information Override global values for physical properties. The numbering order does not affect algorithm performance. Column 1 has different specifications from the other columns. the stages are numbered from the top down. and view results Specify convergence parameters for column calculations. and view results Specify rating parameters for packed column sections. Within each column.Chapter 4 Specifying MultiFrac Individual columns are identified by column numbers. diagnostic message levels. Use the following forms to enter specifications and view results for MultiFrac: Use this form Columns Setup Columns HeatersCoolers Columns FlowSpecs Columns Efficiencies Columns Properties Columns Estimates Columns Results Columns Profiles InletsOutlets ConnectStreams FlowRatios DesignSpecs Vary CondenserHcurves ReboilerHCurves ConnectStreamHCurves TraySizing TrayRating PackSizing PackRating Convergence Report BlockOptions UserSubroutines ResultsSummary To do this Specify basic column configuration and operating conditions Specify interstage heaters/coolers Specify liquid and vapor flow specifications Specify stage or component efficiencies Specify physical property parameters for column sections Specify initial estimates for stage temperatures. view connecting stream results Specify stream flow ratios Specify design specifications. and vapor and liquid flows and compositions View column summary View column profiles Specify inlet and outlet material and heat stream locations Specify sources and destinations of connecting material and heat streams. and view results Specify sizing parameters for packed column sections. and report options for this block Specify user subroutine parameters for tray sizing and rating. and view results Specify rating parameters for tray column sections. simulation options. and packing sizing and rating View results of balances and splits Unit Operation Models Version 10 4-33 . and view convergence results Specify manipulated variables to satisfy design specifications and view final values Specify condenser heating or cooling curve tables and view tabular results Specify reboiler heating or cooling curve tables and view tabular results Specify connecting stream heating or cooling curve tables and view tabular results Specify sizing parameters for tray column sections. starting with the condenser.

You can associate a heater with any connecting stream. or stages of the same column (bypasses and pumparounds).Columns Stream Definitions MultiFrac uses four types of streams: • External streams • Connecting streams • Internal streams • Pseudostreams External streams are standard MultiFrac inlet and outlet streams. Unlike normal outlet streams. They are identified by stream IDs. reboiler duty. They are a subset of external outlet streams. Pseudostreams store the results of internal and connecting streams. Connecting stream heaters are identified by connecting stream numbers. The distillate rate includes both the vapor and liquid distillate flows • Either condenser duty. They can connect two columns. pseudostreams do not participate in block mass balance calculations. Required Specifications Follow these guidelines when entering specifications for column 1: • The number of stages must be greater than 1 • Two additional operating specifications are required • The distillate flow may not be a connecting stream You must specify: • Bottoms rate or distillate rate. An internal stream is identified by a source stage number and a column number. Connecting streams are within MultiFrac but external to individual columns. reflux ratio or reflux rate • Distillate vapor fraction or condenser temperature If you specify the condenser stage temperature: • Both liquid and vapor distillate products must be present (distillate vapor fraction is greater than 0 or less than 1) • You must also specify an estimate for the distillate vapor fraction 4-34 Unit Operation Models Version 10 . Internal streams are liquid or vapor flows between adjacent stages of the same column.

you must specify either: • Bottoms rate • Distillate rate (includes only the vapor distillate) • Condenser duty Feed Stream Conventions MultiFrac provides two conventions for handling feed streams (see MultiFrac Feed Convention Above-Stage and MultiFrac Feed Convention On-Stage in the following figures): • Above-Stage • On-Stage When Feed-Convention is Above-Stage. The vapor portion flows to the stage above (n – 1).Chapter 4 Follow these guidelines when entering specifications for other columns: • The number of stages can be 1 (for example. specify flow on the InletsOutlets form. The liquid portion flows to the stage (n) you specify. MultiFrac introduces a material stream between adjacent stages. For columns with one stage. reboiler duty. to model a single-stage flash or feed furnace) • The distillate can be a connecting stream • MultiFrac calculates the distillate vapor fraction • The distillate rate includes only the vapor distillate flow and must be greater than zero. You can introduce a liquid feed to the top stage (or condenser) by specifying Stage=1. you may specify condenser duty. n-1 Vapor Mixed feed to stage n Liquid MultiFrac Feed Convention Above-Stage Unit Operation Models Version 10 4-35 . distillate rate. bottoms rate. You can introduce a vapor feed to the bottom stage (or reboiler) by specifying Stage=Number of stages + 1. For columns with more than one stage. and reflux rate. If a liquid distillate is present.

For a connecting stream. and phase • Destination column and stage MultiFrac introduces connecting streams on the destination stage regardless of their phase (that is.Columns n-1 Mixed feed to stage n n n+1 MultiFrac Feed Convention On-Stage When Feed-Convention is On-Stage. Feed Convention=On-Stage). both the liquid and vapor portions of a feed flow to the stage (n) you specify. All connecting streams can have a heater with heat duty. temperature. If there is no product stream. Connecting Streams MultiFrac allows any number of connecting streams. at least one connecting stream must have an unspecified flow. Any number of these streams can have the same: • Source column. or temperature change specified. stage. Use the ConnectStreams form to enter all specifications for connecting streams. Each terminal stream can be the source of a product stream and any number of connecting streams. required specifications depend on whether the stream: • • • Has a flow rate that is fixed indirectly on the FlowRatios or Columns FlowSpecs form Is a terminal stream Is a pumparound to the top stage of column 1 4-36 Unit Operation Models Version 10 .

excluding any product flow and any other connecting stream flow. temperature change. or duty † † Either temperature (or temperature change) or duty † Duty can default to 0 if necessary. When a stage is the destination of a connecting stream. MultiFrac uses the net flow from the stage excluding any other connecting stream with flow specifications. If this specification is missing. Stage duty is properly accounted for in the stage enthalpy calculations. and duty Either temperature (or temperature change). temperature. or temperature change of the connecting stream. MultiFrac uses the heat duty associated with the stage to determine the temperature of the connecting stream. and heat duty †† † Enter zero for heat duty if heater is absent. a phase change may occur. enter two of the following: • Flow • Temperature (or temperature change) • Duty (specify 0 if there is no associated heater or cooler) If you enter only one of flow. Flow rate is taken as the net flow of the stage. or temperature change. If the drawoff type is Partial Total † †† You enter Two of the following: flow. Unit Operation Models Version 10 4-37 . MultiFrac uses the top stage duty for the missing requirement. When a pumparound. temperature. When you specify heat duty. temperature (or temperature change). or other connecting stream has a specified temperature change or outlet temperature.Chapter 4 For this type of connecting stream One that does not satisfy the above conditions One whose flow is fixed indirectly on the FlowRatios or Columns FlowSpecs form A terminal stream (vapor distillate or liquid bottoms) † You must specify Two of the following: flow. temperature change. MultiFrac determines the drawoff type based on the number of specifications you give. You can enter a second specification. bypass. Connecting streams can be either a total or partial drawoff of the stage flow. For a connecting stream that is the liquid pumparound to the top stage of column 1. and heat duty One of the following: temperature. the stage duty does not affect the connecting stream temperature. temperature. When you enter the duty. MultiFrac assumes that the specific value does not result in a phase change of any fraction of the stream.

flow specifications refer to the net flow of the stream excluding any portions withdrawn as products or connecting streams. This feature is typically used for specifying: • Internal reflux rate or total internal drawoff • Overflash in refining applications • Boilup rate For a terminal stream. Or MultiFrac can determine the flow rate based on one of the following: • Another flow specification (Columns FlowSpecs form) • A flow ratio specification (FlowRatios form) If you enter only one specification for pumparounds to the top stage of the main column. MultiFrac uses the top stage heat duty as the second specification.Columns MultiFrac allows total drawoff only for the top vapor stream and bottom liquid stream. The value you specify refers to the net flow of the stage liquid or vapor flow. When you specify the heat duty. flow specifications refer to the net flow of the stream excluding any portion withdrawn by connecting streams with flow specifications. For partial drawoffs you can specify the flow rate. When a connecting stream has a specified temperature or temperature change. a phase change can occur. This value excludes any portions withdrawn by side products and other connecting streams with flow specifications. Flow specifications include: • • • Specifications provided on the ConnectStreams form Specifications fixed by the associated heater specifications Another FlowSpecs or FlowRatios specification For an internal stream. You can specify heaters indirectly by choosing a heater duty as the adjusted variable in one of the following forms: Form Columns FlowSpecs FlowRatios Used to specify Stage liquid or vapor flow rate Vapor-to-liquid flow ratio Flow Rate Specifications You can use the Columns FlowSpecs form to specify any stage liquid and vapor flow rates. 4-38 Unit Operation Models Version 10 . MultiFrac assumes the specified value does not result in a phase change of any fraction of the stream. Heaters Use the Columns HeatersCoolers form to enter heater stage locations and duties.

MultiFrac will vary the heat duty associated with the heater of the same stage or another stage or the flow rate of an associated connecting stream to satisfy enthalpy and mass balances. a specified value may be zero to model a total drawoff . Initial estimates for adjusted variables are not required. If a product or connecting stream of the same phase is leaving the stage. Unit Operation Models Version 10 4-39 . If this will be varied Heat duty Flow rate of a connecting stream You must specify Q-Column and Stage Stream number (IC-Stream) Be cautious when selecting the: • Associated stage with varied heat duty • Connecting stream with varied flow rate An initial guess for the associated heat duty is not required.Chapter 4 When you enter a flow specification. If the adjusted variable is A connecting stream flow A heater duty You enter the Connecting stream number in the IC-Stream field Heater column and stage numbers You can place the calculated heat duty in an outlet heat stream using the InletsOutlets form. MultiFrac adjusts the flow rate of a connecting stream or the duty of a heater.

excluding any portion withdrawn as products or connecting streams. the flows refer to the net flow of a stream. MultiFrac adjusts the flow rate of a connecting stream or the duty of a heater. excluding any portion withdrawn by connecting streams with flow specifications. This feature is typically used for specifying the: • Internal reflux ratio • Overflash in refining applications • Boilup ratio For a terminal stream. and come from any stage of any column. the flows refer to the net flow of the stream. The flows can be of different phases. these will be varied to satisfy enthalpy and mass balances: • Heat duty of the same stage or another stage • Flow rate of an associated connecting stream When you enter a flow ratio specification. or a FlowRatios Specifications sheet) For an internal stream.Columns Flow Ratio Specifications Use the FlowRatios form to specify the ratio of two flow rates. Be cautious when selecting the: • • Associated stage with varied heat duty Connecting stream with varied flow rate 4-40 Unit Operation Models Version 10 . Flow specifications include those: • Specified on the ConnectStreams form • Fixed by either the associated heater specification. When you specify a flow ratio. If the adjusted variable is A connecting stream flow A heater duty You enter the Connecting stream number in the IC-Stream field Heater column and stage numbers You can place the calculated heat duty in an outlet heat stream using the InletsOutlets form. another Columns FlowSpecs sheet. Initial estimates for these adjusted variables are not required.

Magnitudes of the efficiencies can be quite different. j x i . But you cannot convert from one efficiency to the other. Then use the Columns Efficiencies form to enter the efficiencies. 1981. Details on using and estimating these efficiencies are described by Holland. j +1 K i. j − yi . j Murphree efficiency is defined as: Effi . j Ki. j − yi . Unit Operation Models Version 10 4-41 .Chapter 4 Efficiencies You can specify one of two types of efficiencies: • Vaporization • Murphree Vaporization efficiency is defined as: Effi v = yi . j +1 Where: K x y Eff v Eff M = = = = = = = Equilibrium K value Liquid mole fraction Vapor mole fraction Vaporization efficiency Murphree efficiency Component index Stage index i j To specify vaporization or Murphree efficiencies. enter the number of actual stages on the Columns Setup Configuration sheet. j xi. You can use any of these efficiencies to account for departure from equilibrium.M = j yi. Fundamentals of Multi-Component Distillation. McGraw-Hill Book Company.

e. crude unit Ethylene plant primary fractionator Highly-nonideal. heaters. e..g. Design Mode In design mode. azeotropic Highly-coupled design specifications Algorithm Standard Standard Sum-Rates Sum-Rates Sum-Rates Newton Sum-rates or Newton Rating Mode In rating mode. Your choice of algorithm depends on the types of systems you are modeling: Application Air separation Close-boiling. absorbers Petroleum refining.g. and feed flow rates. e. except: • Number of stages • Pressure profile • Efficiencies • Subcooled reflux temperature • Degrees of subcooling • Locations of feeds. reboiler duties. You can specify any variables that are allowed in rating mode. use the DesignSpecs form to specify column performance parameters (such as purity or recovery). MultiFrac calculates column profiles and product compositions based on specified values of column parameters. products. Use the Overall field on the Convergence Methods sheet to select the algorithm. Examples of column parameters are reflux ratio... e. You must indicate which variables to manipulate to achieve these specifications using the Vary form. and connecting streams 4-42 Unit Operation Models Version 10 . The default standard algorithm is appropriate for most applications.g..Columns Algorithms MultiFrac has three convergence algorithms. C3 splitter Wide-boiling.g.

mass. You can choose from two algorithm variants of this approach: • Standard • Sum-rates To select an algorithm. relative to any other group of components. See ASPEN PLUS User Guide. It uses either the nested or simultaneous approach (specified as the Middle loop method on the Convergence Methods sheet) to converge the design specifications. You can express recovery as a fraction of the same components in a subset of the feed stream.Chapter 4 The flow rates of inlet material streams and the duties of inlet heat streams can also be manipulated variables. The second group can be in any other internal streams. †† ††† †††† Column Convergence MultiFrac uses the inside-out approach for column convergence. or standard liquid volume fractions of any group of components. including an internal stream Set of product streams †† † Internal stream or set of product streams Stage Stage or connecting stream Stage or connecting stream to any other stage or connecting stream Internal or product stream ††† Single or paired internal or product stream First group can be in any internal streams †††† Express the purity as the sum of mole. use the Overall field on the Convergence Methods sheet. This algorithm is appropriate for most systems. You can specify Purity Recovery of any component groups Flow rate of any component groups Temperature Heat duty Heat duty ratio Value of any Prop-Set property Ratio or difference of any pair of properties in a Prop-Set Flow ratio of any component groups to any other component groups † For any Stream. The standard algorithm uses the standard inside-out formulation for the inside loop. or set of feed or product streams. The sum-rates algorithm uses: • A sum-rates variant formulation for the inside loop • The simultaneous approach to converge the design specifications Unit Operation Models Version 10 4-43 .

When you use the simult middle loop method. The Newton algorithm is generally slower than the other algorithms. and ** G is taken as unity. It solves the column-describing equations and design specifications simultaneously. the algorithm attempts to satisfy the design specifications by determining the values of the manipulated variables (within their bounds) that minimize the weighted sum of squares function: ^  G− G    Φ = ∑wm  G **  m   2 Where: m = = = = = Design specification number Calculated value Desired value Scaling factor Weighting factor $ G G G ** w $ For purity and recovery.Columns Sum-rates is well suited for: • Wide-boiling systems • Columns with steep flow gradients MultiFrac also has the Newton algorithm. This method can enhance convergence for highly-nonideal systems. the following algorithm solves the design specification functions simultaneously with the column describing equations: ** $ Fm = Gm − Gm / Gm = 0 ( ) 4-44 Unit Operation Models Version 10 . which uses a Napthali-Sandholm formulation. Design Specification Convergence MultiFrac provides two methods for handling design specification convergence: • Nested middle loop • Simult middle loop When you use the nested middle loop method. G and G are transformed by taking the logarithm. such as azeotropic distillation. using Newton’s method.

Temperature estimates are usually adequate. The following algorithm attempts to satisfy design specifications by determining the values of the manipulated variables (within their bounds) that minimize the weighted sum of squares function: $  G − G Φ = ∑wm  **   G  m Where: 2 m = = = = = Design specification number Calculated value Desired value Scaling factor Weighting factor $ G G G ** w Initialization Use Initialization Method on the Convergence Methods sheet to choose the initialization method. Crude invokes a special initialization procedure designed for petroleum refining and ethylene plant primary fractionator/quench tower applications. You may enter profile estimates on the Columns Estimates form to enhance convergence. You must enter at least the top and bottom temperature estimates for each column. If you specify the following information on the Columns Setup and/or Columns FlowSpecs forms.Chapter 4 The weighting factor is not available for this method. MultiFrac has two initialization procedures: • Standard • Crude Standard is appropriate for most systems. you do not need to provide estimates: • • All stripper bottoms flow rates Either the distillate or bottoms flow rate of the main column Otherwise. Unit Operation Models Version 10 4-45 . Highly nonideal systems may require composition estimates. You can handle design specification convergence by using either scaling factors or weighting factors. This procedure is designed for systems consisting of a main column connected to any number of sidestrippers. you must enter at least the top and bottom temperature estimates for each column.

But the bottom stage liquid product will not be in exact thermal or phase equilibrium with other bottom stage flows (for example. MultiFrac performs free-water calculations for the main column condenser. the bottom stage vapor flow).Columns Physical Properties Use the BlockOptions form to override the global physical property method. if present. By default. is decanted. each using a different property methods. The free-water phase. Free Water Handling MultiFrac can perform free-water calculations. MultiFrac uses this property method for all stages in all columns. You can specify a single property method on the BlockOptions form. 4-46 Unit Operation Models Version 10 . You can use this capability to simulate the primary fractionator/quench tower combination of an ethylene plant. Solids Handling MultiFrac handles solids by: • Temporarily removing all solids from inlet streams • Performing calculations without solids • Adiabatically mixing solids removed from inlet streams with main column liquid bottoms This calculation approach maintains an overall mass and energy balance around the MultiFrac block. Use the Columns Properties form to specify physical property methods when you use a separate property method for an individual column. You can define additional water decant product streams on the InletsOutlets form. You can also split a column into any number of segments. Use the Columns Properties form to request free-water calculations for additional stages in any column.

Chapter 4 Sizing and Rating of Trays and Packings MultiFrac has extensive capability to size. Use the following forms to enter specifications: • TraySizing • TrayRating • PackSizing • PackRating See Appendix A for details on tray and packing types and correlations. Unit Operation Models Version 10 4-47 . rate. and perform pressure drop calculations for trayed and packed columns.

4-48 Unit Operation Models Version 10 . You can use PetroFrac to size and rate columns consisting of trays and/or packings.Columns PetroFrac Rigorous Fractionation PetroFrac is a rigorous model designed for simulating all types of complex vaporliquid fractionation operations in the petroleum refining industry. you can specify either Murphree or vaporization efficiencies. Although PetroFrac assumes equilibrium stage calculations. PetroFrac can model both random and structured packings. It can decant the free-water phase on any stage. Typical operations include: • Preflash tower • Atmospheric crude unit • Vacuum unit • Catalytic cracker main fractionator • Delayed coker main fractionator • Vacuum lube fractionator You also can use PetroFrac to model the primary fractionator/quench tower combination in the quench section of an ethylene plant. PetroFrac can detect a free-water phase in the condenser or anywhere in the column.

use MultiFrac. For single columns without pumparounds and side strippers. You can specify a feed furnace. and complex primary fractionators. or both Unit Operation Models Version 10 4-49 . Material Streams Inlet At least one inlet material stream One steam feed per stripper (optional) One free water distillate stream (optional) One bottoms product from the main column Any number of side products from main column (optional) Any number of water decant products from main column (optional) One bottoms product per side stripper Any number of pseudoproduct streams (optional) Outlet One vapor or liquid distillate. use RadFrac.Chapter 4 Flowsheet Connectivity for PetroFrac PetroFrac models column configurations consisting of a main column with any number of pumparounds and side strippers. For other multicolumn systems such as air separation systems. Petlyuk towers.

4-50 Unit Operation Models Version 10 . PetroFrac uses a heat stream as a specification for the condenser and reboiler. reboiler. PetroFrac does not use the inlet heat stream as a specification. If you do not give two specifications on the Pumparounds Specifications sheet. The value of the outlet heat stream equals the value of the inlet heat stream (if any) minus the actual (calculated) heat duty. and one free water). Use optional outlet streams for the net heat duty of the condenser. reboiler. It can also have up to three product streams per stage (one vapor.Columns You can use any number of pseudoproduct streams to represent: • Column internal streams • Pumparound streams • Column connecting streams A pseudoproduct stream does not affect column results. If you do not give two specifications for the bottom liquid return on the Strippers Setup LiquidReturn sheet. pumparounds. PetroFrac uses a heat stream as a specification. Heat Streams Inlet One heat stream per stage for the main column (optional) One heat stream per pumparound heater/cooler (optional) One heat stream per stripper reboiler (optional) One heat stream per stripper bottom liquid return (optional) One heat stream per pumparound heaters/cooler (optional) One heat stream per stripper reboiler (optional) One heat stream per stripper bottom liquid return (optional) Outlet One heat stream per stage for the main column (optional) PetroFrac uses an inlet heat stream as a duty specification for all stages except the condenser. The heat stream supplies the required heating or cooling. If you do not give sufficient operating column specifications on the Setup Configuration sheet. PetroFrac uses a heat stream as a specification for pumparounds. and stripper bottom liquid return. and pumparounds. Main Column The main column can have any number of inlet streams. If you give two specifications on the Setup Configuration sheet or Pumparounds Specifications sheet. one hydrocarbon liquid.

Chapter 4 Side Strippers The side strippers can have a steam feed. Specifying PetroFrac Within each column or stripper. you must enter two specifications on the Strippers Setup LiquidReturn sheet. You can use a heat stream as the heat source for the reboiler. To specify a bottom liquid return. and view results Specify rating calculation parameters for packed stripper sections. and view results Specify sizing calculation parameters for packed stripper sections. and view results Specify rating calculation parameters for tray stripper sections. The vapor and liquid streams from the furnace are fed to the stage where the furnace is attached. Feed Furnace You can specify a feed furnace. A feed furnace can have any number of feeds. and view results Specify physical property parameters for stripper sections continued Unit Operation Models Version 10 4-51 . Use the following forms to enter specifications and view results of PetroFrac: Use this form Setup Pumparounds Pumparounds Hcurves Strippers Setup Strippers Efficiencies Strippers ReboilerHcurves Strippers TraySizing Strippers TrayRating Strippers PackSizing Strippers PackRating Strippers Properties To do this Specify basic column configuration and operating conditions Specify pumparound specifications and view results Specify pumparound heating or cooling curve tables and view tabular results Specify stripper operating specifications Specify stripper column or stage efficiencies Specify stripper reboiler heating or cooling curve tables and view tabular results Specify sizing calculation parameters for tray stripper sections. If present. and steam feed. bottoms flow rate. If you do not specify the reboiler duty. Optionally. stages are numbered from the top down. the main column condenser is stage 1. the stripper liquid bottoms may be partially returned to the main column. They must have a liquid bottoms product. PetroFrac uses the heat stream as a duty specification.

and view results Specify condenser heating or cooling curve tables and view tabular results Specify reboiler heating or cooling curve tables and view tabular results Specify sizing calculation parameters for tray column sections. and view results Specify sizing calculation parameters for packed column sections.Columns Use this form Strippers Estimates Strippers Results Strippers Profiles HeatersCoolers RunbackSpecs Efficiencies DesignSpecs CondenserHcurves ReboilerHcurves TraySizing TrayRating PackSizing PackRating Properties Estimates Convergence Report BlockOptions UserSubroutines Connectivity ResultsSummary Profiles To do this Specify estimates for stripper temperatures and flows View stripper product stream and connecting stream results View stripper profiles Specify stage heating or cooling specifications Specify runback specification parameters Specify stage or component efficiencies Specify design specifications. simulation options. and view results Specify rating calculation parameters for packed column sections. and view results Specify physical property parameters for column sections Specify estimates for column temperatures and flows Specify convergence parameters Specify block-specific report options and pseudostreams Override global values for physical properties. manipulated variables. and report options for this block Specify user subroutines for tray and packing rating and sizing View stream connectivity for the PetroFrac block View key column results for the overall PetroFrac column View column profiles 4-52 Unit Operation Models Version 10 . diagnostic message levels. and view results Specify rating calculation parameters for tray column sections.

with pumparound to bottom stage • No reboiler. The vapor portion flows to the stage above (n – 1). PetroFrac provides three conventions for handling feed streams (see PetroFrac Feed Convention Above-Stage and PetroFrac Feed Convention On-Stage in the following figures): • Above-Stage • On-Stage • Furnace When Feed-Convention is Above-Stage. You can introduce a liquid feed to the top stage (or condenser) by specifying Stage=1. with pumparound to top stage • No condenser. If either a condenser or a reboiler is absent. you must enter one specification. If both the condenser and reboiler are absent. both the liquid and vapor portions of a feed flow to the stage (n) you specify. You may also identify a feed as the stripping steam. with external feed to top stage You can specify one of three reboiler types: • Kettle reboiler • No reboiler. The liquid portion flows to the stage (n) you specify. PetroFrac allows six condenser types: • Subcooled • Total • Partial with vapor distillate product only • Partial with both vapor and liquid distillate products • No condenser. Feed Stream Handling Use the Setup Streams sheet to specify the feed and product stage locations. Unit Operation Models Version 10 4-53 . with external feed to bottom stage The types and number of required operating specifications depend on the column configuration.Chapter 4 Main Column You define the main column configuration using Condenser and Reboiler on the Setup Configuration sheet. Normally. When Feed-Convention is On-Stage. You can introduce a vapor feed to the bottom stage (or reboiler) by specifying Stage=Number of stages+1. and override its flow by specifying a steam-to-product ratio. you must enter two column operating specifications. PetroFrac introduces a material stream between adjacent stages. do not enter any specification.

Feed Furnace PetroFrac can simulate a feed furnace simultaneously with the column/strippers. The feed enters the furnace before being introduced to the specified stage. You can specify one of the following: • • • Heat Duty Temperature Fractional overflash 4-54 Unit Operation Models Version 10 .Columns n-1 Vapor Mixed feed to stage n Liquid PetroFrac Feed Convention Above-Stage n-1 Mixed feed to stage n n n+1 PetroFrac Feed Convention On-Stage When Feed-Convention is Furnace. You can simulate the feed furnace as a simple heater or as a single stage flash with or without feed overflash bypass to the furnace. a furnace is attached to the stage (n) you specify.

Main Column Heat Feed Furnace Modeled as a Stage Heat Duty Main Column Feed Furnace Furnace Modeled as a Single Stage Flash Unit Operation Models Version 10 4-55 .Chapter 4 To do this Define a feed to the feed furnace Enter a furnace model type and associated specifications Use this sheet Setup Streams (Feed Convention) Setup Furnace You can select from three furnace model types. as shown in the next three figures.

vapor/liquid compositions Liquid Runbacks Use the RunbackSpecs form to specify the flow rate of liquid runback from any stage. When you enter a liquid runback specification. vapor/liquid compositions Furnace temperature. you must allow PetroFrac to adjust one of the following: • Flow rate of a pumparound • Duty of an interstage heater/cooler Pumparounds Use the following sheets to enter specifications for pumparounds. Use this sheet Pumparounds Specifications Report PseudoStreams Hcurves Specifications To enter Pumparound connectivity and cooler/heater specifications Pseudostream assignment for the pumparound Heating/cooling curve specifications 4-56 Unit Operation Models Version 10 . degree of vaporization.Columns Main Column Feed Furnace Furnace Modeled as a Single Stage Flash with Overflash Bypass If Model= Heater Flash Flash-Bypass PetroFrac models the furnace as Stage heat duty on the feed stage Single-stage flash Single-stage flash with the overflash bypassed back to the furnace And calculates — Furnace temperature. degree of vaporization.

You can also: • Return a fraction of the stripper bottoms to the main column • Specify additional liquid draws from other stages of the main column as feeds to the strippers Efficiencies You can specify one of two types of efficiencies: • Vaporization • Murphree Vaporization efficiency is defined as: Effi v = yi . Side strippers may be either steam-stripped or reboiled. you must specify a reboiler duty. • The stripper overhead is returned to the main column. j +1 ki . you must enter a steam stream. j +1 Unit Operation Models Version 10 4-57 . j − yi . j x i . you must specify one of the following: • • • Temperature Temperature change Heat Duty Side Strippers Use the Stripper forms and sheets to enter specifications for side strippers. you must specify two of the following: • Flow rate • Temperature • Temperature change • Heat Duty For total drawoffs. j Murphree efficiency is defined as: Effi . For partial drawoffs. j x i . They can be total or partial drawoffs of the stage liquid flow.M = j yi. You must specify the draw and return stage locations. For reboiled strippers. j − yi . You must specify the draw and return stage locations for each pumparound. PetroFrac assumes: • A liquid draw goes from the main column to the top of the stripper. You can override its flow rate by specifying a steamto-product ratio. j K i. For steam strippers.Chapter 4 Pumparounds are associated with the maincolumn.

To enhance convergence. Convergence For convergence PetroFrac uses: • The sum-rates variant of the inside-out algorithm • A special initialization procedure designed for petroleum refining applications PetroFrac generally does not need initial estimates. enter the number of actual stages on the Setup Configuration sheet and Strippers Setup Configuration sheet as Number of stages. 1981. 4-58 Unit Operation Models Version 10 . Fundamentals of Multi-Component Distillation.Columns Where: K x y Eff v Eff M = = = = = = = Equilibrium K value Liquid mole fraction Vapor mole fraction Vaporization efficiency Murphree efficiency Component index Stage index i j To specify vaporization or Murphree efficiencies. But you cannot convert from one efficiency to the other. you may enter profile estimates on the following PetroFrac forms: • Estimates • Strippers Estimates Temperature estimates are usually adequate. Magnitudes of the efficiencies can be quite different. Details on using and estimating these efficiencies are described by Holland. Then use the Efficiencies and Strippers Efficiencies forms to enter the efficiencies. You can use any of these efficiencies to account for departure from equilibrium. you should provide temperature estimates. For ethylene plant primary fractionator/quench tower combinations. You can increase convergence stability by selecting varying degrees of damping on the Convergence Basic sheet. McGraw-Hill Book Company.

or set of feed or product streams Stage Stage Stage Pair of product streams Product stream Product stream Product stream Product stream Product stream Product stream Product stream Product stream Product stream Product stream continued Unit Operation Models Version 10 4-59 . You can specify Purity Recovery of any components group Flow rate of any components group Flow rates of any components groups to any other component groups Temperature Heat duty Fractional overflash TBP and D86 temperature gaps TBP temperature D86 temperature D1160 temperature Vacuum distillation temperature API gravity Standard liquid density Specific gravity Flash point Pour point Refractive index For any Stream. including internal streams Set of product streams †† † Internal stream or set of product streams Internal streams to any other internal streams. PetroFrac calculates the column profiles and product compositions based on specified values of column parameters. Examples of column parameters are: • Reflux ratio • Reboiler duties • Feed flow rates • Furnace temperature • Pumparound loads Design Mode In design mode you can manipulate subsets of the column parameters to achieve certain specifications on column performance.Chapter 4 Rating Mode In rating mode.

each using a different property method. Physical Properties Use the BlockOptions form to override the global physical property method. You can specify one method on this form. You can also split the main column or a stripper into any number of segments. Use this sheet Properties Property Sections Strippers Properties Property Sections When you use different properties for The main column A stripper Free Water Handling PetroFrac can perform free-water calculations in the main column and side strippers. See ASPEN PLUS User Guide. To do this Request free-water calculations for additional stages in the main columns and strippers Define additional water decant product streams for the main column Use these sheets Properties Freewater Stages Strippers Properties Freewater Stages Setup Streams 4-60 Unit Operation Models Version 10 . is decanted. PetroFrac performs free-water calculations for the main column condenser. †† ††† You can also specify overflash for a furnace feed stream. The free-water phase. or standard liquid volume fraction of any group of components relative to any other group of components.Columns You can specify Reid vapor pressure Value of any Prop-Set property Difference of any pair of Prop-Set properties Watson UOP K factor † For any Product stream Internal or product stream Pair of product streams Product stream ††† Express the purity as the sum of mole. if present. Chapter 28. Express recovery as a fraction of the same components in a subset of feed streams. mass. which PetroFrac uses for all stages in the main column and strippers. By default.

rate. and perform pressure drop calculations for trayed and packed columns. Strippers PackRating See Appendix A for details on tray and packing types and correlations. Use the following PetroFrac forms to enter specifications: • TraySizing. Strippers PackSizing. PackRating • Strippers TraySizing. PackSizing. the bottom stage vapor flow). Sizing and Rating of Trays and Packings PetroFrac has extensive capabilities to size.Chapter 4 Solids Handling PetroFrac handles solids by: • Temporarily removing all solids from inlet streams • Performing calculations without solids • Adiabatically mixing solids removed from inlet streams with main column liquid bottoms This calculation approach maintains an overall mass and energy balance around the PetroFrac block. Strippers TrayRating. Unit Operation Models Version 10 4-61 . But the bottom stage liquid product will not be in exact thermal or phase equilibrium with other bottom stage flows (for example. TrayRating.

rather than the idealized representation of equilibrium stages. RateFrac is applicable for: • Ordinary distillation • Absorption • Reboiled absorption • Stripping • Reboiled stripping • Extractive and azeotropic distillation RateFrac is suitable for: • • • Two-phase systems Narrow and wide-boiling systems Systems exhibiting strong liquid phase nonideality RateFrac can also detect and handle a free water phase in the condenser.Columns RateFrac Rate-Based Distillation RateFrac is a rate-based nonequilibrium model for simulating all types of multistage vapor-liquid fractionation operations. RateFrac does not use empirical factors such as efficiencies and the Height Equivalent to a Theoretical Plate (HETP). RateFrac explicitly accounts for the underlying interphase mass and heat transfer processes to determine the degree of separation. Reactions include: • Equilibrium • Rate-controlled • Electrolytic RateFrac models a complex configuration consisting of a single column or interlinked columns. RateFrac can model columns with chemical reactions. The configuration may have: • • • Any number of columns. RateFrac simulates actual tray and packed columns. each with any number of RateFrac Segments Any number of connections between columns or within each column Arbitrary flow splitting and mixing of connecting streams RateFrac can handle operations with: • Side strippers • Pumparounds • Bypasses • External heat exchangers RateFrac can be used to • Rate existing columns • Design new columns 4-62 Unit Operation Models Version 10 .

Flowsheet Connectivity for RateFrac Top Segment or Condenser Heat Duty (optional) Vapor Distillate or Interconnecting Stream 1 Heat (optional) Liquid Distillate (optional) Water Distillate (optional) Side Products Interconnecting Streams (Heater optional) Interconnecting Streams Feeds Heat (optional) Pumparounds and Bypasses (Heater optional) Reflux (Heater optional) Heat (optional) Bottom Segment or Reboiler Heat Duty (optional) N Heat (optional) Bottoms or Interconnecting Streams RateFrac models single and interlinked columns. and Case Study blocks to vary configuration parameters. and MultiFrac.Chapter 4 You can define pseudoproduct streams to represent column internal flows or connecting streams in RateFrac. Any number of columns can be connected by any number of connecting streams. RateFrac can produce segmentwise column profile plots. RateFrac can be used with other ASPEN PLUS features and capabilities much in the same way as the equilibrium-based models. You can use Fortran Blocks. Each connecting stream can have an associated heater. Sensitivity Analysis. RadFrac. such as feed location or number of segments. PetroFrac. Each column may have: • Any combination of packed and tray segments • Any number of connecting streams • Any number of side product streams Unit Operation Models Version 10 4-63 .

and connecting streams. RateFrac uses a heat stream as a specification for the condenser and reboiler. You can use optional outlet heat streams for the net heat duty of the condenser.Columns Material Streams Inlet At least one material stream One water distillate product stream (optional) Any number of pseudoproduct streams (optional) Outlet Up to two product streams (one vapor. If you do not provide two column operating specifications on the Columns Setup Configuration sheet. reboiler. The value of the outlet heat stream equals the value of the inlet heat stream (if any). If you do not provide two specifications on the ConnectStreams Input sheet. the top and bottom streams can be connecting streams. the free-water stream from the condenser cannot be a connecting stream. reboiler. one liquid) per segment Each column must have: • At least one vapor or liquid stream leaving the top segment • One liquid stream leaving the bottom segment When you model interlinked columns. However. Heat Streams Inlet One heat stream per segment (optional) One heat stream per connecting stream (optional) Outlet One heat stream per connecting stream (optional) RateFrac uses an inlet heat stream as a duty specification for all segments except the condenser. 4-64 Unit Operation Models Version 10 . minus the actual (calculated) heat duty. The inlet heat stream supplies the required heating or cooling. If you provide two specifications on the Columns Setup Configuration sheet or ConnectStreams Input sheet. RateFrac does not use the inlet heat stream as a specification. RateFrac uses a heat stream as a specification for connecting streams. and connecting streams.

and vapor and liquid flow profiles are calculated by solving the governing material balances. For multicomponent systems. and from component to component. These efficiencies generally vary from stage to stage within a column. In general. This approach assumes that the liquid and vapor phases leaving any stage are in thermodynamic equilibrium with each other. However. Experimental evidence shows that component efficiencies: • May vary strongly from component to component • Can take any value including negative values Methods used to calculate component efficiencies generally do not include the effect of the departure from thermal equilibrium. The phase compositions. The separation achieved in a multistage column depends on the interphase mass and heat transfer rate processes. Many definitions for efficiency exist.Chapter 4 The Rate-Based Modeling Concept Most models available for simulating and designing multicomponent. temperature. there are no theoretical limitations on Murphree efficiencies. efficiencies depend on: • Physical characteristics of the equipment. Unit Operation Models Version 10 4-65 . a correction factor (referred to as an efficiency) attempts to account for the departure from equilibrium. HETP is commonly used in place of efficiencies. Vapor-liquid equilibrium prevails only at the interface separating vapor and liquid phases. When the equilibrium approach is used to model a tray column. multistage separation processes are based on the idealized concept of equilibrium or theoretical stages. In practice. HETPs may vary strongly from point to point within a column and from system to system. HETP varies with: • Type and size of the packing • Hydrodynamics of the column • Fluid properties of the system Like efficiencies. Packed columns are also designed using the equilibrium stage concept. Multicomponent mass transfer interactions can also have pronounced effects on the separation. with wide variations in complexity and accuracy. and equilibrium relations for each stage. such as column configuration • Hydrodynamics of the column • Fluid properties of the system Murphree vapor efficiencies are the most widely used. columns rarely operate under thermodynamic equilibrium conditions. energy balances.

RateFrac completely avoids the need for efficiencies in tray columns or HETPs in packed columns. This approach avoids uncertainties that result when the equilibrium approach is used with estimated efficiencies or HETP. Use the following forms to enter specifications and view results for RateFrac: Use this form BlockParameters Columns Setup Columns TraySpecs Columns PackSpecs Columns Reactions To do this Specify overall block parameters. RateFrac includes equations to account for the influence of chemical reactions on heat and mass transfer rate processes. RateFrac comprises: • • • • Mass and heat balances around vapor and liquid phases Mass and heat transfer rate models to determine interphase transfer rates Vapor-liquid equilibrium relations applied at interfacial conditions Correlations to estimate mass and heat transfer coefficients and interfacial areas For chemically reactive systems. starting with the condenser (or starting with the top segment if there is no condenser). RateFrac directly includes mass and heat transfer rate processes in the system of equations representing the operation of separation process units. blockspecific diagnostic message levels. RateFrac: • Describes the simultaneous mass and heat transfer rate phenomena • Accounts for the multicomponent interactions between simultaneously diffusing species For nonreactive systems. Specifying RateFrac RateFrac numbers segments from the top down. For systems involving equilibrium reactions. RateFrac includes equations to represent the chemical equilibrium conditions. and specify vapor and liquid holdup data continued 4-66 Unit Operation Models Version 10 . convergence and initialization parameters.Columns RateFrac is based on a fundamental and rigorous approach. RateFrac has far greater predictive capabilities than the conventional equilibrium model. and feed flash convergence parameters Specify basic column configuration and operating conditions Specify tray column section parameters Specify packed column section parameters Assign reactions to column sections.

packing HETPs. pressure drop. and kinetics View material and energy balance results and overall split fractions Column Numbering Individual columns are identified by a column number. simulation options. The numbering order does not affect algorithm performance. and temperature specifications View column performance summary View column profiles View column interface profiles View tray and component efficiencies. starting with the condenser (when present). vapor. and vapor and liquid flows and compositions Specify optional equilibrium segments and column efficiencies Specify segment heating or cooling and utility exchangers Specify liquid. interfacial area. segments are numbered from top to bottom. diagnostic message levels. and report options for this block Specify user subroutine parameters for mass and heat transfer coefficients. and flooding summary View binary diffusion. Within each column.Chapter 4 Use this form Columns Estimates Columns EquilibriumSegments Columns HeatersCoolers Columns FlowTempSpecs Columns Results Columns Profiles Columns InterfaceProfiles Columns EfficienciesFlooding Columns TransferCoefficients InletsOutlets ConnectStreams DesignSpecs Vary FlowRatios CondenserHcurves ReboilerHcurves ConnectStreamHcurves Reports BlockOptions UserSubroutines ResultsSummary To do this Specify initial estimates for segment temperatures. binary mass. inlet and outlet heat streams Specify connecting stream sources and destinations and view results Specify design specifications and view convergence results Specify manipulated variables to satisfy design specifications and view final values Specify the flow ratio and view results Specify condenser heating or cooling curve tables and view tabular results Specify reboiler heating or cooling curve tables and view tabular results Specify connecting stream heating or cooling curve tables and view tabular results Specify block-specific report options. and heat transfer coefficients Specify feed and product stream locations and conventions. and pseudostream information Override global values for physical properties. Unit Operation Models Version 10 4-67 .

Connecting streams may connect two columns or segments of the same column (such as bypasses and pumparounds). Pseudostreams store the results of internal and connecting streams. Connecting streams are streams within RateFrac but external to individual columns. You can associate a heater with any connecting stream. These streams are identified by a segment number and a column number. pseudostreams do not participate in the block material balance calculations. They are a subset of external outlet streams.Columns Stream Definition RateFrac uses four types of streams: • External streams • Connecting streams • Internal streams • Pseudostreams External streams are the standard RateFrac inlet and outlet streams. Unlike normal outlet streams. These streams are identified by connecting stream numbers. They are identified by stream IDs. Heaters are identified by the connecting stream number. Material Feed Streams RateFrac uses two conventions for handling material feed streams (see RateFrac Feed Conventions in the following figures): • Above segment • On segment Segment n-1 Vapor Liquid Mixed Feed to Segment n Segment n RateFrac Feed Convention Above Segment 4-68 Unit Operation Models Version 10 . Internal streams are the liquid or vapor flows between adjacent segments of the same column.

RateFrac also assumes that a liquid feed (or the liquid portion of a mixed feed) combines with the liquid phase in the segment it enters. RateFrac assumes that a vapor feed (or the vapor portion of a mixed feed) combines with the vapor phase in the segment it enters. The liquid portion flows to segment n. specified as the feed segment. Similarly. when a two-phase feed stream is fed to the last segment of that column + 1. the vapor phase is combined directly with the vapor distillate. You can introduce a liquid to the top segment (or condenser) by specifying Segment=1. by specifying the segment equal to the last segment in the column +1. RateFrac introduces a material stream between adjacent segments.Chapter 4 Segment n-1 Liquid Mixed Feed to Segment n Segment n Vapor Segment n + 1 RateFrac Feed Convention On Segment When the feed convention is defined as Above segment. When a two-phase feed stream is fed to segment 1. When the feed convention is defined as On segment. Unit Operation Models Version 10 4-69 . both the liquid and vapor portions of the feed flow to segment specified (segment n in the previous figure RateFrac Feed Convention On segment). the liquid phase is combined directly with the liquid bottoms product. You can introduce a vapor feed to the bottom segment (or reboiler). The vapor portion flows to the segment above (segment n-1 in the figure RateFrac Feed Convention Above segment).

Use this form Columns TraySpecs To enter Tray specifications Such as Number of trays or Number of trays per segment Tray type Tray characteristics Total height of packing or Height of packing per segment Packing type Packing characteristics Columns PackSpecs Packing specifications 4-70 Unit Operation Models Version 10 . Any number of these streams can have the same: • Source column. and phase • Destination column and segment RateFrac introduces connecting streams on the destination segment regardless of their phase (Convention = On Segment). Required Specifications You must specify the total number of columns and connecting streams. excluding any product flow and any other connecting stream flow. All connecting streams can have a heater. Enter the required specifications as follows: If the drawoff type is Partial Total † †† You enter Two of the following: flow. segment. Flow is taken as the net flow of the segment. RateFrac does not allow phase change for connecting streams. temperature or temperature change and heat duty One of the following: temperature or temperature change and heat duty †† † Enter zero for heat duty if heater is absent. Enter all specifications for connecting streams on the ConnectStreams Input sheet.Columns Column Configuration Specify the column configuration by indicating the following on the Columns Configuration sheet: • Number of segments • Presence or absence of condensers and reboilers • Equilibrium and nonequilibrium segments Connecting Streams RateFrac allows any number of connecting streams. Connecting streams can be either a total or a partial drawoff of the segment flow.

heat duty. Nonequilibrium Segment in a Tray Column) A column consists of segments. RateFrac uses one of the following: • • Height of packing in a packed segment Number of trays in a tray segment Nonequilibrium Segment in a Packed Column Unit Operation Models Version 10 4-71 . To evaluate mass and heat transfer rates between contacting phases. you must specify its flow. Nonequilibrium Segment in a Packed Column) • One (or more) tray(s) in a tray column (see the preceding figure. and phase • Pressure profile for each column • Condenser type • Two operating specifications for multisegment columns and one for singlesegment columns • Source and destination of any connecting stream and associated heater specifications • Outlet stream locations and phases. A segment refers to one of the following: • A slice (or portion) of packing in a packed column (see the preceding figure.Chapter 4 You must also specify: • Inlet stream locations • Heat stream locations. If the outlet stream is a side drawoff stream from a segment.

or PetroFrac with ideal stages. Reactive Systems RateFrac can handle kinetically controlled reactions and equilibrium reactions in both liquid and vapor phases. Chemical reactions can be of any type. you can obtain the same results using RateFrac as you can using RadFrac. the kinetics can be defined by one of the following: • Built-in power law expressions • User-supplied Fortran subroutines 4-72 Unit Operation Models Version 10 .Columns Nonequilibrium Segment in a Tray Column Equilibrium Stages RateFrac can model both equilibrium stages and nonequilibrium segments in the same column. MultiFrac. When all stages are equilibrium. Use the Columns EquilibriumSegments form to specify the location of equilibrium stages. including: • Simultaneous • Consecutive • Parallel • Forward • Reverse For kinetically controlled reactions.

you can also enter the reaction data on the Chemistry form.Chapter 4 For equilibrium reactions. or can be computed from the reference state free energies of participating components. enter the corresponding Reactions ID (or Chemistry ID or User Reactions ID) on the Columns Reactions Specifications sheet. Heat integration occurs when the duty recovered from another block is used as the heat source of heaters and coolers. Enter the following information on the Reactions form: • • • Reaction stoichiometry Reaction type Phase in which reactions occur Depending on the reaction type. Enter heat stream data on the InletsOutlets Heat Streams sheet. For electrolytic reactions. Unit Operation Models Version 10 4-73 . For these segments Equilibrium Tray Packed Use this form to enter holdup information Columns Reactions Columns TraySpecs Columns PackSpecs Heaters and Coolers Use the Columns HeatersCoolers Side Duties sheet to specify: • Heat duty for a segment • Heater segment location (column and segment) • Phase Use the Columns HeatersCoolers Utility Exchangers sheet to specify cooling (or heating) of any segment using a coolant (or heating fluid). RateFrac can model electrolyte systems using both the apparent and the true component approaches. You can use a heat stream to provide heat integration. the chemical reaction equilibrium constant can be defined either in terms of user-supplied coefficients for a temperature-dependent polynomial. you must enter either the equilibrium constant or kinetic parameters. you must enter holdup data for the phase where reactions occur. For rate-controlled reactions. To associate reactions with a column segment.

use the DesignSpecs form to specify column performance parameters (such as purity or recovery). RateFrac calculates temperatures.Columns Physical Property Specifications Use the RateFrac BlockOptions form to override the global physical property property method. height of packing. except: • Number of columns. You can specify only one property method on the BlockOptions form. flows. RateFrac does not allow multiple physical property methods. packing specifications 4-74 Unit Operation Models Version 10 . and mole fraction profiles based on specified values of column parameters such as: • Reflux ratio • Product flows • Heat duties Design Mode In design mode. You can specify any variables that are allowed in rating mode. including the number of trays. segments. and connecting streams • Pressure profile • Locations of feeds. tray characteristics. Handling Free Water RateFrac can perform free-water calculations only in condensers. and connecting streams • Column configurations. Rating Mode In rating mode. RateFrac uses this property method for the whole column. You must indicate which variables to manipulate to achieve these specifications using the Vary form. heaters. products.

with the liquid stream leaving the same segment. Chapter 28. or standard liquid volume fractions of any group of components. See ASPEN PLUS User Guide. †† ††† Calculating Efficiency and HETP From converged vapor and liquid composition profiles. relative to any other group of components. These efficiencies are defined for each component as the fractional approach to equilibrium of the vapor stream leaving any segment. RateFrac back-calculates the component Murphree vapor efficiencies.Chapter 4 The flows of inlet material streams and the duties of inlet heat streams can also be manipulated variables. mass. You can specify Purity Recovery of any component groups Flow of any component groups Component ratio Temperature of vapor stream Temperature of liquid stream Heat duty Value of any Prop-Set property Ratio or difference of any pair of properties in a Prop-Set † For any Stream. or a connecting stream Internal or product stream ††† Single or paired internal or product stream Express the purity as the sum of mole. You can express recovery as a fraction of the same components in a subset of the feed stream. reboiler. including an internal stream Set of product streams †† † Internal stream or set of product streams Internal stream and a second internal stream or feed streams and product streams Segment Segment Condenser. Eff ij = y ij − y ij +1 K ij x ij − Yij +1 Where: Eff K x y i j = = = = = = Murphree vapor efficiency Vapor-liquid equilibrium K value Liquid mole fraction Vapor mole fraction Component index Segment index Unit Operation Models Version 10 4-75 .

Weber. Newton-based simultaneous correction approach. References for Built-In Correlations RateFrac uses well-known and accepted correlations to calculate: • Binary mass transfer coefficients for the vapor and liquid phase • Interfacial areas In general. particularly for problems containing many components. valve. or bubble-cap) Weir and flow path length Downcomer area Weir height The correlations involve well-defined dimensionless groups. Computing times for RateFrac are greater than they are for equilibrium models. such as the Reynolds. MultiFrac. RateFrac solution times increase with the square of the number of components. Froude.Columns For each segment of packed columns. or PetroFrac solution times for the same problems. Convergence and Computing Time RateFrac must solve many more equations for a given column than an equilibrium model. and Sherwood numbers. RateFrac calculates the fractional approach to equilibrium using the same definition as used for Murphree vapor efficiency. 4-76 Unit Operation Models Version 10 . these quantities depend on column diameter and operating parameters such as: • Vapor and liquid flow • Densities • Viscosities • Surface tension of liquid • Vapor and liquid phase binary diffusion coefficients Mass transfer coefficients and interfacial areas depend on: Packing characteristics Type (random or structured) Size Specific surface area Material of construction Tray characteristics Type (sieve. The correlations have been fitted to experimental measurements from laboratory and pilot plant absorption and distillation columns. The solution algorithm RateFrac uses is an efficient. Schmidt. Solution times can be an order of magnitude greater than RadFrac. RateFrac reports the height of packing required to achieve equilibrium as the HETP for that segment.

(1985. • Valve Tray columns • Bubble-Cap Tray columns • Sieve Tray columns Packed Column RateFrac calculates the mass transfer coefficients and the interfacial area available for mass transfer using the correlations developed by Onda et al. 1976).. (1958) These correlations do not provide the mass transfer coefficients and interfacial areas separately. RateFrac uses binary mass transfer coefficients to evaluate: • • Multicomponent binary mass transfer coefficients Component mass transfer rates between vapor and liquid phases RateFrac calculates the vapor phase and liquid phase heat transfer coefficients using the Chilton-Colburn analogy (King. 1992) Chan and Fair (1984) Scheffe and Weiland (1987) Grester et al. (1968) Bravo et al. RateFrac allows you to write Fortran subroutines to calculate: • Binary mass transfer coefficients • Heat transfer coefficients • Interfacial areas The subroutines are described in the ASPEN PLUS User Models reference manual. This analogy relates: • Mass transfer coefficients • Heat transfer coefficients • Schmidt number • Prandtl number Mass and Heat Transfer Correlations RateFrac uses several mass and heat transfer correlations for: • Packed columns. By applying a rigorous multicomponent mass transfer theory (Krishna and Standart.Chapter 4 The correlations RateFrac uses for mass transfer coefficients and interfacial areas are: Column type Packed Columns (random packing) Packed Columns (structured) Sieve Trays Valve Trays Bubble-Cap Trays † † † Correlation used Onda et al. 1980). 1968. Unit Operation Models Version 10 4-77 .

We L = a p σρ L a pµ L gρ L and: 2 k in ρL g L = = = = = = = Binary mass transfer coefficient for the binary pair i and n in the liquid phase (m/sec) Density of liquid (kg/m 3 ) Acceleration due to gravity (m/sec 2 ) Viscosity of liquid (Newton-sec/m 2 ) Liquid superficial mass velocity (kg/m 2 /sec) Wetted interfacial area (m 2 interfacial area/m 3 packing volume) Schmidt number for the binary pair i and n in the liquid phase = L µ L (ρ L Din ) µL L aw Sc in L D in ap L = Binary Maxwell-Stefan diffusion coefficient for the binary pair i and n (m 2 /sec) Specific surface area of the packing continued = 4-78 Unit Operation Models Version 10 .4 The correlation for the gas phase binary mass transfer coefficient is:  g  RT g    G  k in   a D   = 5.23 a u      p g   p in     0 .05We L 0 .7 (Sc ) (a g 1/ 3 in p dp ) −2 The interfacial area available for mass transfer is given by the correlation: aω = a p 1 − exp − 145Re L .Columns The correlation for the liquid phase binary mass transfer coefficients is: 2/3  L  ρ  1/ 3   L  L L −1/ 2 k in   ( Scin ) a pd p   = 0.1 FrL −0.75 ]} aρ L2 L L Re L = . FrL = 2 .0051  aω µ L    gµ L     ( ) 0 . Where: { [ 0.2 (σ σ ) c −0.

5 The interfacial area available for mass transfer is given by the correlation: a = 0.05 (Scin ) 0.13 g (ϖ) 0. 1987.93 Re g ( ) (Re ) 0.Chapter 4 dp = = = Nominal diameter of packing or packing size (m) Binary mass transfer coefficient for the binary pair i and n in the vapor phase (kg mole/atm/m 2 /sec) Universal gas constant (m 3 atm/kg mole/K) Gas phase temperature (K) Gas superficial mass velocity (kg/m 2 /sec) Viscosity of gas mixture (Newton-sec/m 2 ) Gas phase Schmidt number for the binary pair i and n = k in R g T G g = = = g µg Sc in = µg = (ρ D ) g g in ρg D in g Density of gas mixture (kg/m 3 ) Gas-phase binary Maxwell-Stefan diffusion coefficient for the binary pair i and n (m 2 /sec) Surface tension (Newton/m) Critical surface tension of the packing material (Newton/m) = = = σ σc Valve Tray Column RateFrac calculates the mass transfer coefficients and the interfacial area available for mass transfer using the correlations developed by Scheffe and Weiland.5 The correlation for the gas phase binary mass transfer coefficients is: g Shin = 9.37 L 0.27 Re g ( ) ( Re ) 0.87 L 0.25 ( ϖ) 0.52 Unit Operation Models Version 10 4-79 .09 L (v )0.39 (Scin ) 0.4 Re g ( ) ( Re ) 0. The correlation for the liquid phase binary mass transfer coefficient is: L Shin = 125.68 L 0.

Columns Where: Sh = L in k in ad ρ L D in L L .) Viscosity of gas mixture (Newton-sec/m 2 ) Binary mass transfer coefficient for the binary pair i and n in the liquid phase (kg mole/m 2 /sec) Interfacial area (m 2 interfacial area/m 2 tower active area) Molar density of liquid (kg mole/m 3 ) Binary Maxwell-Stefan diffusion coefficient for the binary pair i and n (m 2 /sec) Binary mass transfer coefficient for the binary pair i and n in the vapor phase (kg mole/m 2 /sec) Molar density of gas mixture (kg mole/m 3 ) Gas-phase binary Maxwell-Stefan diffusion coefficient for the binary pair i and n (m 2 /sec) Density of liquid mixture (kg/m 3 ) Density of gas mixture (kg/m 3 ) Weir height (m) µL G µg k in a L ρL D in = k in ρg g = = D in ρL g = = = = ρg W 4-80 Unit Operation Models Version 10 . Scin = µg ρ g D in g . Sh = g in k in ad ρ g D in g g L . ϖ= µg d µL = = = = = = = = L Liquid mass velocity (kg/m 2 /sec) (Velocity is based on tower active area. Re g = .) Geometric parameter of unit length (m) Viscosity of liquid mixture (Newton-sec/m 2 ) Gas mass velocity (kg/m 2 /sec) (Velocity is based on tower active area. Re L = and: L d Gd Ld W . Scin = µL ρ L D in L g .

2377 F + 104.567h w (Sc ) − 0.. The product of liquid phase binary mass transfer coefficients and interfacial area is given by the correlation: L k in a = (4.5 The product of gas phase binary mass transfer coefficient and interfacial area is given by the correlation: k in a = g (0.19hw + 2.4545QL − 0.Chapter 4 Bubble-Cap Tray Column RateFrac calculates the product of the binary mass transfer coefficients and interfacial areas using the correlations developed by Grester et al.0135 F ( m ) Liquid flow path length (m) continued Unit Operation Models Version 10 4-81 .9998hL Z L / QL (sec) Liquid holdup = 0.21313F + 015) Lt L .85Q L ) g 0.) Liquid residence time = 0.5 in G Where: k in a L = = Binary mass transfer coefficient for the binary pair i and n in the liquid phase (kg mole/m 2 /sec) Interfacial area (m 2 interfacial area/m 2 tower active area) Binary Maxwell-Stefan diffusion coefficient for the binary pair i and n (m 2 /sec) F-Factor =   µ g ρ1/ 2  kg 1/2 / sec / m1/2   g  D in L = F = µg ρg L tL hL ZL = = = = = = Gas volumetric flow per unit active area (m 3 /sec/m 2 ) Density of gas mixture (kg/m 3 ) Liquid molar velocity (kg mole/m 2 /sec) (Velocity is based on active area.776 + 4.127 × 108 Din ) (0.04191 + 0. L 0. 1958.

127 x108 Din ) (0.Columns QL hw = = = = = Liquid flow per average path width (m 3 /sec/m) Outlet weir height (m) Binary mass transfer coefficient for the binary pair i and n in the vapor phase (kg mole/m 2 /sec) Gas molar velocity (kg mole/m 2 /sec) (Velocity is based on active area.5 in 2 h L 0.21313F + 0. The product of liquid phase binary mass transfer coefficient and interfacial area is given by the correlation: L L k in a = (4.15) Lt L 0.5 Where: k in a L = = Binary mass transfer coefficient for the binary pair i and n in the liquid phase (kg mole/m 2 /sec) Interfacial area (m 2 interfacial area/m 2 tower active area) Binary Maxwell-Stefan diffusion coefficient for the binary pair i and n (m 2 /sec) continued D in L = 4-82 Unit Operation Models Version 10 .) Gas-phase Schmidt number for the binary pair i and n = k in G g Sc in g µg = (ρ D ) g g in µg D in g Viscosity of gas mixture (Newton-sec/m 2 ) Gas-phase binary Maxwell-Stefan diffusion coefficient for the binary pair i and n (m 2 /sec) = Sieve Tray Column RateFrac calculates the product of mass transfer coefficients and interfacial areas using the correlations developed by Chan and Fair. 1984.5 The product of the gas phase binary mass transfer coefficient and interfacial area is given by the correlation: k a= g in ( D ) (1030 F − 867 F ) g 0.

0135 F ( m ) Liquid flow path length (m) Liquid flow per average path width (m 3 /sec/m) Outlet weir height (m) Binary mass transfer coefficient for the binary pair i and n in the vapor phase (m/sec) Binary Maxwell-Stefan diffusion coefficient for the binary pair i and n (m 2 /sec) Fractional approach to flooding gas velocity = tL hL ZL QL hw k in D in F g g = µg / µgF µgF = = Gas velocity through active area at flooding (m/sec) Liquid height = hL Γe B Ks Γe hw + 1533Γe B(Q L / Γe ) ( m) 2/ 3 = = = = exp(− 12.04191 + 0.55K s 0.9998hL Z L / QL (sec) Liquid holdup = 0.0327 + 0.5 (m / sec) ρL Density of liquid mixture (kg/m 3 ) Unit Operation Models Version 10 4-83 .4545QL − 0.0286 exp(− 137.) Liquid residence time = 0.8hω ) µ g ρ g (ρ L − ρ g ) ( ) 0.91 ) 0.Chapter 4 F µg ρg L = F-Factor = µ gρg = = = = = = = = = = 1/ 2 ( kg 1/ 2 / sec / m1/ 2 ) Gas volumetric flow per unit active area (m 3 /sec/m 2 ) Density of gas mixture (kg/m 3 ) Liquid molar velocity (kg mole/m 2 /sec) (Velocity is based on active area.19hw + 2.

Columns Heat Transfer Coefficients RateFrac calculates the heat transfer coefficients. using the Chilton-Colburn analogy (King. 1980). The heat transfer coefficient is given by: k av ( Sc) Where: 2/3 = htc Cpmix k av Sc htc Cpmix = = = = = Average binary mass transfer coefficients (kg mole/sec) Schmidt number Heat transfer coefficient (Watts/K) Molar heat capacity (Joules/kg mole/K) Prandtl number Pr 4-84 Unit Operation Models Version 10 .

D. McGraw-Hill Book Company. and Chilton.R. Multicomponent Systems. and Robinson.G. R.....N. King.H. and Standart. 26. "A Comprehensive Model for the Performance of Columns Containing Structured Packings.J." AIChE Report.. Takeuchi.. (1984) p. R. K.L. and Weiland. Second Edition.Chapter 4 References Bravo.. Process Des. J. Perry.. Scheffe. January. J. 228. and Fair.B. Krishna. (1980).D. Hochgraf. Res. Onda. R. Bravo. McGraw-Hill Company. Section 18 (1973).. "Mass Transfer Coefficients between Gas and Liquid Phases in Packed Columns.. J.H. A. (1958). Grester.H. Rocha. Y.. Chan.. J. A439 (1992)." Ind.. (1976) p. 128. 22. "Chemical Engineers’ Handbook. 91 (1985). C. 1. H. "Tray Efficiencies in Distillation Columns. J. Japan. Eng." Hydrocarbon Processing." Ind.. "A Multicomponent Film Model Incorporating a General Matrix Method of Solution to the Maxwell-Stefan Equations..A.. "Mass Transfer in Gauze Packings. 814.. "Prediction of Point Efficiencies in Sieve Trays: 1. and Fair. C. J. Unit Operation Models Version 10 4-85 . (1968) p. Dev.R. Rocha...L. Hill. and Okumoto. "Mass Transfer Characteristics of Valve Trays." J. N. 2." Fifth Edition.. G. Separation Processes. (1987) p. Chem. Chem.. 23." AIChE J. Binary Systems. Eng. R. J.A." ICHEME Symposium Series. Chem.. H.R.L. J. 383. and Fair. Eng.A. 56.

Columns 4-86 Unit Operation Models Version 10 .

you can specify component or stage separation efficiencies. Extract can calculate distribution coefficients using: • An activity coefficient model or equation of state capable of representing two liquid phases • A built-in temperature-dependent correlation (KLL Correlation sheet) • A Fortran subroutine (KLL Subroutine sheet) Although equilibrium stages are assumed. rich in the second liquid phase (L2) One material stream per intermediate stage (optional) One material stream for L2 from the first stage Up to two side product streams per stage. Flowsheet Connectivity for Extract L1 Phase Side feeds (any number) 1 L2 Phase Side products (any number) Nstage L1 Phase L2 Phase Material Streams Inlet One material stream to the first (top) stage. one for L1 and one for L2 (optional) Outlet One material stream for L1 from the last stage Unit Operation Models Version 10 4-87 . You can define pseudoproduct streams (Report PseudoStreams sheet) to represent extractor internal flows. and side streams. rich in the first liquid phase (L1) One material stream to the last (bottom) stage. It can have multiple feeds.Chapter 4 Extract Rigorous Extraction Extract is a rigorous model for simulating liquid-liquid extractors. heater/coolers. Extract can be used only for rating calculations. You can use Fortran and sensitivity blocks to vary configuration parameters. such as feed location or number of stages.

Extract can treat phase L1 as the solvent/extract phase or the feed/raffinate phase. You must identify the key components in each phase using L1-Comps and L2-Comps on the Setup form. Extract calculates these coefficients using one of the following methods: You can use Any physical property method that can represent two liquid phases A built-in temperature-dependent polynomial A Fortran subroutine You enter A global property method or an Opset name to override the global physical property method Polynomial coefficients Subroutine name On sheet BlockOptions Properties Properties KLL Correlation Properties KLL Subroutine Use the following forms to enter specifications and view results for Extract: Use this form Setup Efficiencies Properties Estimates Convergence Report To do this Specify basic column configuration and operating conditions Specify stage or component efficiencies Specify parameters for KLL correlations and KLL subroutines Specify initial estimates for stage temperatures and compositions Specify convergence parameters and block-specific diagnostic message levels Specify block-specific report options and pseudostream information continued 4-88 Unit Operation Models Version 10 . Liquid-liquid distribution coefficients are required to represent the liquid-liquid equilibrium. The second (L2) flows in the opposite direction.Columns Specifying Extract Extract can operate in one of the following ways: • Adiabatically (default) • At a specified temperature • With specified stage heater or cooler duties You must specify: • Number of stages • Feed and product stream stage locations • Side product stream phase and mole flow rate • Pressure profile The first liquid phase (L1) flows from the first stage to the last stage.

material and energy balance results.Chapter 4 Use this form Block Options Results Profiles Dynamic To do this Override global values for physical properties. simulation options. diagnostic message levels. and report options for this block View column performance summary. y y y y Unit Operation Models Version 10 4-89 . and split fractions View extractor profiles Specify parameters for dynamic simulations See ASPEN PLUS User Models for more information about Fortran subroutines.

Columns 4-90 Unit Operation Models Version 10 .

Use the Reactions Reactions form to define the reaction stoichiometry and data for these models. two. or three-phase stirred tank reactors with rate-controlled and equilibrium reactions in any phase based on known stoichiometry and kinetics One-. and RBatch are kinetic reactor models. Calculating phase equilibrium for solid solutions and vapor-liquid-solid systems.Chapter 5 5 Reactors This chapter describes the unit operation models for reactors. two-. or three-phase batch and semibatch reactors with rate-controlled reactions in any phase based on known stoichiometry and kinetics RYield Yield reactor REquil Equilibrium reactor RGibbs Equilibrium reactor with Gibbs energy minimization RCSTR Continuous stirred tank reactor RPlug Plug flow reactor Models plug flow reactor RBatch Batch reactor Models batch or semi-batch reactor RCSTR. Unit Operation Models Version 10 5-1 . The models are: Model RStoic Description Stoichiometric reactor Purpose Models stoichiometric reactor with specified reaction extent or conversion Models reactor with specified yield Performs chemical and phase equilibrium by stoichiometric calculations Performs chemical and phase equilibrium by Gibbs energy minimization Models continuous stirred tank reactor Use For Reactors where reaction kinetics are unknown or unimportant but stoichiometry and extent of reaction are known Reactors where stoichiometry and kinetics are unknown or unimportant but a yield distribution is known Reactors with simultaneous chemical equilibrium and phase equilibrium Reactors with phase equilibrium or simultaneous phase and chemical equilibrium. One-. RPlug. two-. or three-phase plug flow reactors with rate-controlled reactions in any phase based on known stoichiometry and kinetics One-.

because ASPEN PLUS uses the elemental enthalpy reference state for the definition of the component heat of formation. RStoic can perform product selectivity and heat of reaction calculations. heats of reaction are accounted for in the mixture enthalpy calculations for the reactants versus the products.Reactors You do not need to specify heats of reaction. Flowsheet Connectivity for RStoic Material (any number) Heat (optional) Heat (optional) Water (optional) Material Material Streams Inlet At least one material stream One water decant stream (optional) Outlet One product stream 5-2 Unit Operation Models Version 10 . Therefore. RStoic Stoichiometric Reactor Use RStoic to model a reactor when: • Reaction kinetics are unknown or unimportant and • Stoichiometry and the molar extent or conversion is known for each reaction RStoic can model reactions occurring simultaneously or sequentially. In addition.

If you wish to calculate product selectivities use the Setup Selectivity sheet to specify the selected product component and the reference reactant component. You may also choose to specify the heats of reaction. You must specify the stoichiometry for each reaction. mass and energy balances. reaction extents. Specifying RStoic Use the Setup Specifications sheet to specify the reactor operating conditions and to select the phases to consider in flash calculations in the reactor. heats of reaction. sheet and the Setup PSD sheet respectively. If you wish to calculate the heats of reaction. particle size distribution. if you do not specify an outlet heat stream. and component attributes Specify estimates and convergence parameters for flash calculations Override global values for physical properties. use the Setup Heat of Reaction sheet to specify the reference component for each reaction defined in the Setup Reactions sheet. and RStoic adjusts the calculated reactor duty. When solids are created or changed by the reactions. and report options for this block View summary of operating results. diagnostic message levels. reactions. Use the Setup Reactions sheet to define the reactions occurring in the reactor. In addition.Chapter 5 Heat Stream Inlet Any number of heat streams (optional) RStoic uses the sum of the inlet heat streams as the heat duty specification. Outlet One heat stream (optional) The value of the outlet heat stream is the net heat duty (sum of the inlet heat streams minus the calculated heat duty) for the reactor. simulation options. you may specify the component attributes and the particle size distribution in the outlet stream using the Setup Component Attr. and phase equilibrium results for the outlet stream Specify parameters for dynamic simulations Convergence BlockOptions Results Dynamic Unit Operation Models Version 10 5-3 . Use the following forms to enter specifications and view results for RStoic: Use this form Setup To do this Specify operating conditions. product and reactant components for selectivity calculations. product selectivities. if needed. you must specify either the molar extent or the fractional conversion for all reactions. reference conditions for heat of reaction calculations.

Under these circumstances. real represents changes that actually occur in the reactor. 5-4 Unit Operation Models Version 10 . Selectivity The selectivity of the selected component P to the reference component A is defined as:  ∆P     ∆A  Real =  ∆P   ∆A    Ideal S P. The heats of reaction are calculated at the specified reference conditions based on consumption of a unit mole or mass of the reference reactant selected for each reaction. RStoic adjusts the calculated reactor heat duty to reflect the differences. the calculated reactor heat duty will not be consistent with the inlet and outlet stream enthalpies. A Where: ∆P ∆A = = Change in number of moles of component P due to reaction Change in number of moles of component A due to reaction In the numerator. The following reference conditions are used by default: Specification Reference temperature Reference pressure Reference fluid phase Default 25 °C 1 atm Vapor phase You can also use the Setup Heat of Reaction sheet to specify the heats of reaction. The specified heat of reaction may differ from the heat of reaction that ASPEN PLUS computes from the heats of formation at reference conditions.Reactors Heat of Reaction RStoic calculates the heat of reaction from the heats of formation in the databanks when you select the Calculate Heat of Reaction option on the Setup Heat of Reaction sheet. ASPEN PLUS obtains this value from the mass balance between the inlet and outlet. If this occurs.

Chapter 5 In the denominator. This example shows how RStoic calculates selectivity: a1 A + b1 B → c1 C + d1 D c2 C + e2 E → p2 P a3 A + f3 F → q3 Q The selectivity of P to A is:  Moles of P produced   c1∗ p2  S P. except for the reaction that produces the selected component from the reference component. selectivity may be greater than 1. the denominator indicates how many moles of P are produced per mole of A consumed in an ideal stoichiometric equation. Therefore. if the selected component is also produced from components other than the reference component. If the selected component is consumed in other reactions. This scheme assumes that no reactions are present. selectivity may be less than 0. A =  /   Moles of A consumed   a1∗ c2  In most cases. However. ideal represents changes according to an idealized reaction scheme. Unit Operation Models Version 10 5-5 . selectivity ranges between 0 and 1. or: υ  ∆P  = P  ∆A  υA   Ideal where υ A and υ P are stoichiometric coefficients.

Reactors RYield Yield Reactor Use RYield to model a reactor when: • Reaction stoichiometry is unknown or unimportant • Reaction kinetics are unknown or unimportant • Yield distribution is known You must specify the yields (per mass of total feed. Flowsheet Connectivity for RYield Material (any number) Heat (optional) Heat (optional) Water (optional) Material Material Streams Inlet At least one material stream One water decant stream (optional) Outlet One product stream Heat Streams Inlet Any number of heat streams (optional) Outlet One heat stream (optional) 5-6 Unit Operation Models Version 10 . two-. and three-phase reactors. excluding any inert components) for the products or calculate them in a user-supplied Fortran subroutine. RYield normalizes the yields to maintain a mass balance. RYield can model one-.

and Setup PSD sheets. component yields. and report options for this block View summary of operating results. two-. RYield uses the sum of the inlet heat streams as a duty specification. The net heat duty is the sum of the inlet heat streams minus the actual (calculated) heat duty. simulation options.Chapter 5 If you give only one specification on the Setup Specifications sheet (temperature or pressure). When solids are created or changed by the reactions. inert components. You can request one-. RYield uses the inlet heat stream(s) only to calculate the net heat duty. RYield does not maintain atom balances because you enter the fixed yield distribution. and PSD and component attributes for the outlet stream Specify subroutine name and parameters for the user-supplied yield subroutine Override global values for physical properties. you can specify their component attributes and/or particle size distribution in the outlet stream using the Setup Component Attr. Calculated yields are normalized to maintain an overall material balance. If you specify inert components on the Setup Yield sheet. respectively. specify the yield as either moles or mass of a component per unit mass of feed. the yields will be based on unit mass of non-inert feed. Use the following forms to enter specifications and view results for RYield: Use this form Setup UserSubroutine BlockOptions Results Dynamic To do this Specify reactor operating conditions. or three-phase calculation. For each reaction product. You can use an outlet heat stream for the net heat duty. Otherwise. mass and energy balances for the reactor and phase equilibrium results for the outlet stream Specify parameters for dynamic simulations Unit Operation Models Version 10 5-7 . rather than absolute yields. diagnostic message levels. flash convergence parameters. yield specifications establish a yield distribution. For this reason. Specifying RYield Use the Setup Specifications and Setup Yield sheets to specify the reactor conditions and the component yields.

REquil can model one. 5-8 Unit Operation Models Version 10 . REquil uses the sum of the inlet heat streams as a duty specification. Otherwise.Reactors REquil Equilibrium Reactor Use REquil to model a reactor when: • Reaction stoichiometry is known and • Some or all reactions reach chemical equilibrium REquil calculates simultaneous phase and chemical equilibrium. REquil allows restricted chemical equilibrium specifications for reactions that do not reach equilibrium. You can use an outlet heat stream for the net heat duty. Flowsheet Connectivity for REquil Material (any number) Material (vapor phase) Material (liquid phase) Heat (optional) Heat (optional) Material Streams Inlet At least one material stream One material stream for the liquid phase Outlet One material stream for the vapor phase Heat Streams Inlet Any number of heat streams (optional) Outlet One heat stream (optional) If you give only one specification on the REquil Input Specifications sheet (temperature or pressure). The net heat duty is the sum of the inlet heat streams minus the actual (calculated) heat duty.and two-phase reactors. REquil uses the inlet heat stream(s) only to calculate the net heat duty.

and solid and liquid entrainment in the vapor stream Override global values for physical properties. and report options for this block View summary of operating results. REquil assumes that the reactions will reach equilibrium. valid phases. convergence parameters. or heat capacity parameters (CPSXP1). diagnostic message levels. Unit Operation Models Version 10 5-9 . REquil cannot perform three-phase calculations. Solids not participating in reactions. REquil calculates equilibrium constants from the Gibbs energy. mass and energy balances. REquil evaluates the chemical equilibrium constant at T + ∆T. including any nonconventional components. REquil treats each participating solid component as a separate pure solid phase. where T is the reactor temperature (specified or calculated). If no additional specifications are given. and calculated chemical equilibrium constants Solids Reactions can include conventional solids. not as a component in a solid solution. REquil performs single-phase property calculations or two-phase flash calculations nested inside a chemical equilibrium loop. You can restrict the equilibrium by specifying one of the following: • • The molar extent for any reaction A temperature approach to chemical equilibrium (for any reaction) If you specify temperature approach. Use the following forms to enter specifications and view results for REquil: Use this form Input Block Options Results To do this Specify reactor operating conditions. reactions. simulation options. These solids have no effect on the equilibrium calculations except on the energy balance. ∆T. are treated as inert. Any participating solids must have a free energy formation (DGSFRM) and enthalpy of formation (DHSFRM).Chapter 5 Specifying REquil You must specify the reaction stoichiometry and the reactor conditions.

5-10 Unit Operation Models Version 10 . If you specify fewer outlet streams. RGibbs also allows restricted equilibrium specifications for systems that do not reach complete equilibrium. RGibbs does not require that you specify the reaction stoichiometry. RGibbs assigns each phase to an outlet stream. Use RGibbs to model reactors with: • Single phase (vapor or liquid) chemical equilibrium • Phase equilibrium (an optional vapor and any number of liquid phases) with no chemical reactions • Phase and/or chemical equilibrium with solid solution phases • Simultaneous phase and chemical equilibrium RGibbs can also calculate the chemical equilibria between any number of conventional solid components and the fluid phases. Flowsheet Connectivity for RGibbs Material (any number) Material (any number) Heat (optional) Heat (optional) Material Streams Inlet At least one material stream Outlet At least one material stream If you specify as many outlet streams as the number of phases that RGibbs calculates.Reactors RGibbs Equilibrium Reactor (Gibbs Free Energy Minimization) RGibbs uses Gibbs free energy minimization with phase splitting to calculate equilibrium. RGibbs assigns the additional phases to the last outlet stream.

and calculated reaction equilibrium constants. RGibbs uses the inlet heat stream(s) only to calculate the net heat duty. mass and energy balances. and convergence parameters. Specifying RGibbs This section describes how to specify: • Phase equilibrium only • Phase and chemical equilibrium • Restricted chemical equilibrium • Reactions • Solids Use the following forms to enter specifications and view results for RGibbs: Use this form Setup To do this Specify reactor operating conditions and phases to consider in equilibrium calculations. specify inert components and specify equilibrium restrictions. The net heat duty is the sum of the inlet heat streams minus the actual (calculated) heat duty. RGibbs uses the sum of the inlet heat streams as a duty specification. Otherwise. You can use an outlet heat stream for the net heat duty. simulation options. molar compositions of fluid and solid phases present. Specify parameters for dynamic simulations Advanced Block Options Results Dynamic Unit Operation Models Version 10 5-11 . Specify atomic formula of components.Chapter 5 Heat Streams Inlet Any number of heat streams (optional) Outlet One heat stream (optional) If you specify only pressure on the Setup Specifications sheet. Override global values for physical properties. the atomic formula of components. estimates for temperature and component flows. diagnostic message levels and report options for this block. identify possible products. assign phases to outlet streams. View summary of operating results.

RGibbs considers all components entered on the Components Specifications Selection sheet as possible fluid phase or solid products. You can specify an alternate list of products on the Setup Products sheet. You can also assign different thermodynamic property methods to each phase. You can use the Setup Products sheet to assign different sets of species to each solution phase. use the Setup Products sheet to identify the species that will exist in that phase. If there is a possibility that a solid solution phase may exist.Reactors Phase Equilibrium Only To specify Phase equilibrium calculations only Maximum number of fluid phases that RGibbs should consider Maximum number of solid solution phases Use this option Phase Equilibrium Only Maximum Number of Fluid Phases Maximum Number of Solid Solution Phases On Setup Specifications sheet Setup Specifications sheet Solid Phases dialog box from the Setup Specifications sheet RGibbs distributes all species among all solution phases by default. RGibbs distributes all solution species among all solution phases by default. You can also assign different thermodynamic property methods to each phase. 5-12 Unit Operation Models Version 10 . Phase Equilibrium and Chemical Equilibrium To specify Chemical equilibrium calculations (with or without phase equilibrium) Maximum number of fluid phases that RGibbs should consider Maximum number of solid solution phases Use this option Phase Equilibrium and Chemical Equilibrium Maximum Number of Fluid Phases Maximum Number of Solid Solution Phases On Setup Specifications sheet Setup Specifications sheet Solid Phases dialog box from the Setup Specifications sheet By default. You can use the Setup Products sheet to assign different sets of species to each solution phase.

you must also supply the stoichiometry for a set of linearly independent reactions involving all components in the system. The atom matrix defines the number of each atom in each component. Restricted Chemical Equilibrium To restrict chemical equilibrium: Specify The molar extent of the reaction A temperature approach to equilibrium for individual reactions A temperature approach to chemical equilibrium for the entire system The outlet amount of any component as total mole flow or as a fraction of the feed of that component † On Edit Reactions dialog box (from the Setup RestrictedEquilibrium sheet) Edit Reactions dialog box (from the Setup RestrictedEquilibrium sheet) Edit Reactions dialog box (from the Setup RestrictedEquilibrium sheet) Setup Inerts sheet † You can specify inert components by setting the fraction to 1. Unit Operation Models Version 10 5-13 . If there is a possibility that a solid solution phase may exist. including databank components. use the Properties Molec-Struct Formula sheet to enter: • Atom (the atom type) • Number of occurrences (the number of atoms of each type) Alternatively. RGibbs evaluates the chemical equilibrium constant at T + ∆T .Chapter 5 RGibbs needs the molecular formula for each component that is present in a feed or product stream. If you enter one of the preceding specifications. For temperature approach specifications. use the Setup Products sheet to identify the species which will exist in that phase. You can enter one of the following restricted equilibrium specifications for individual reactions: • The molar extent of a reaction • The temperature approach for an individual reaction Use the Setup RestrictedEquilibrium sheet to supply the reaction stoichiometry. RGibbs retrieves this information from the component databanks. you must enter it for all components and atoms. where T is the actual reactor temperature (specified or calculated) and ∆T is the desired temperature approach. For non-databank components. If you enter the atom matrix. you can enter the atom matrix on the Advanced Atom Matrix sheet.

• It is not inert. RGibbs cannot directly handle phase equilibrium between solids and fluid phases (for example. 5-14 Unit Operation Models Version 10 . minus the number of atoms present in the system. The reactions must involve all participating components. RGibbs places all pure solids in the last outlet stream unless you specify otherwise on the Setup AssignStreams sheet. To work around this. RGibbs places the solid solution phases in the MIXED substream of the outlet stream(s). which contains all conventional solids products defined as pure solid phases. The number of linearly independent reactions required equals the total number of products in the product list. • Designate one ID as a solids phase component. the other as a fluid phase component. you can list the same component twice on the Components Specifications Selection sheet. unless it is specified as a component in a solid solution.Reactors Reactions You can have RGibbs consider only a specific set of reactions. and if so. • It has not been dropped. including solids (see the Setup Products sheet). even if only one reaction is restricted. You must specify the stoichiometric coefficients for a complete set of linearly independent chemical reactions. Solids RGibbs can calculate the chemical equilibria between any number of conventional solid components and the fluid phases. calculates the amount. Any solid that RGibbs considers a product must have both: • Free energy of formation (DGSFRM or CPSXP1) • Heat of formation (DHSFRM or CPSXP1) Nonconventional solids are treated as inert and have no effect on equilibrium calculations. with different component IDs. RGibbs can handle only a single CISOLID substream. A component is participating if it satisfies these criteria: • It is in the product list. If you want RGibbs to calculate the chemical equilibrium between these components: • Specify both component IDs on the Setup Products sheet. If chemical equilibrium is not considered. A component is inert if it consists entirely of atoms not present in any other product components. You can restrict the chemical equilibrium by specifying temperature approach or molar extent for the reactions. RGibbs treats all solids as inert. RGibbs detects whether the solid is present at equilibrium. RGibbs cannot perform solids-phase-only calculations. RGibbs treats each solid component as a pure solid phase. water-ice equilibrium). A component listed on the Setup Products sheet is dropped if it contains an atom not present in the feed.

D. "Computation of Phase and Chemical Equilibrium. 1979. and III. May. W. L.D. November. 6. pp. and Seider.." AIChE J. and Seider. Unit Operation Models Version 10 5-15 . White. 1964.. R." Parts I. C. "Computation of Phase and Chemical Equilibrium: Approach to Chemical Equilibrium. II. AIChE J.Chapter 5 References Gautam.W. 40. 3. 27. 1981. Schott." J. 446-471. 991-1015.. W. Chem. "Computation of Restricted Equilibria by General Methods.. Phys. pp.. G. 25.

RCSTR can model one-.Reactors RCSTR Continuous Stirred Tank Reactor RCSTR rigorously models continuous stirred tank reactors. RCSTR assumes perfect mixing in the reactor. 5-16 Unit Operation Models Version 10 . The net heat duty is the sum of the inlet heat streams minus the actual (calculated) heat duty. You can provide the reaction kinetics through the built-in Reactions models or through a user-defined Fortran subroutine. that is. Otherwise. RCSTR uses the sum of the inlet heat streams as a duty specification. two-. You can use an outlet heat stream for the net heat duty. the reactor contents have the same properties and composition as the outlet stream. RCSTR handles kinetic and equilibrium reactions as well as reactions involving solids. RCSTR uses the inlet heat stream only to calculate the net heat duty. or three-phase reactors. Flowsheet Connectivity for RCSTR Heat (optional) Material (any number) Material Heat (optional) Material Streams Inlet At least one material stream Outlet One material stream Heat Streams Inlet Any number of heat streams (optional) Outlet One heat stream (optional) If you specify only pressure on the Setup Specifications sheet.

You can specify one-. two-.Chapter 5 Specifying RCSTR You must specify the reactor operating conditions. which are pressure and either temperature or heat duty. You must also enter the reactor volume or residence time (overall or phase). RCSTR can handle kinetic and equilibrium type reactions. as: V Pi = VR Where: VPi VR Vi Vi f i ΣV j f j = = = = Volume of phase i Reactor volume Molar volume of phase i Molar fraction of phase i fi Unit Operation Models Version 10 5-17 . reactor temperature and volume. using phase equilibrium results. You can specify the phase for each reaction on the Reactions Reactions forms. simulation options. select the reaction sets to be included. and initialization options Specify parameters for the user-supplied kinetics subroutine and block-specific report option for the kinetics subroutine Override global values for physical properties. and report options for this block View summary of operating results and mass and energy balances for the block Specify parameters for dynamic simulations UserSubroutine BlockOptions Results Dynamic Reactions You must specify reaction kinetics on the Reactions Reactions forms and select the Reaction Set ID on the Setup Reactions sheet. RCSTR convergence methods and parameters. Phase Volume In a multi-phase reactor. Use the following forms to enter specifications and view results for RCSTR: Use this form Setup Convergence To do this Specify reactor operating conditions and holdup. and specify flash convergence parameters. by default. ASPEN PLUS calculates the volume of each phase. or three-phase calculations. and specify PSD and component attributes in the outlet stream Provide estimates for component flow rates. diagnostic message levels.

RCSTR cannot perform solids-phaseonly calculations. the phase residence time is equal for all phases. ASPEN PLUS calculates the phase volume iteratively. If you specify Phase Volume or Phase Volume Frac on the Setup Specifications sheet. 5-18 Unit Operation Models Version 10 . based on phase equilibrium results. is used. RCSTR assumes that solids are at the same temperature as the fluid phase. Solids RCSTR can handle reactions involving solids. the residence time for the phase specified in the Holdup Phase is calculated with the specified phase volume rather than the default phase volume.Reactors You can override the default calculation by specifying the volume of a phase directly (Phase Volume) or as a fraction of the reactor volume (Phase Volume Frac) on the Setup Specifications sheet. Alternatively. when you specify the residence time of a phase in the reactor. Residence Time ASPEN PLUS calculates the residence time (overall and phase) in the CSTR as: RT = VR F * Σfi Vi RTi = V Pi F * f iVi Where: RT RTi VR F Vi fi VPi = = = = = = = Overall residence time Residence time of phase i Reactor volume Total molar flow rate (outlet) Molar volume of phase i Molar fraction of phase i Volume of phase i When the default calculation for phase volume.

minimum scale values are set by the Trace Scaling Factor in the Advanced Parameters dialog box (from the Convergence Parameters sheet).0 for component flow rates and 1. Component-based scaling generally provides more accuracy than substreambased scaling.Chapter 5 Scaling of Variables Four types of variables are predicted by RCSTR: component flow rates. For component-based scaling. You may reduce the trace scaling threshold to increase the prediction accuracy of trace components. RCSTR normalizes these variables. Use component-based scaling when: • The reaction network involves trace intermediates • The reaction rates are very sensitive to trace reactants (such as catalysts and initiators which participate in degradation reactions) The following tables summarize the scale factors used by each method. by dividing each one by a scale factor. especially for trace components. Substream-based scaling weighs each variable in a substream against the substream flow rate. the default scaling factor is used instead (the default factor is 1. Component-based scaling weighs each variable against its previous or estimated value. Unit Operation Models Version 10 5-19 . Two types of scaling are available in RCSTR: component-based scaling and substream-based scaling. stream enthalpy. for faster convergence. Substream-based Scaling Method Variable Type Component Flows Stream Enthalpy Component Attributes (attr/kg) Variable Component mole flow in outlet stream Net enthalpy flow of outlet stream Product of component mass flow (with attributes) and attribute value in outlet stream Product of substream mass flow rate (with PSD) and PSD value in outlet stream Initial Scale Factor Estimated outlet substream mole flow rate Net enthalpy flow of inlet stream Default attribute scale factor PSD Default attribute scale factor Note If any substream-based scaling factor is equal to zero. component attributes and PSD (if present).0E5 for stream enthalpy).

Product of Trace threshold and default attribute scale factor 5-20 Unit Operation Models Version 10 .Product of Trace threshold and estimated outlet substream mole flow PSD Product of substream mass flow rate and PSD value in outlet stream Larger of: .Product of estimated substream mass flow with PSDs and estimated PSD value in outlet stream .Estimated component mole flow in outlet stream .Product of Trace threshold and estimated outlet substream mole flow Stream Enthalpy Component Attributes (attr/kg) Net enthalpy flow of outlet stream Product of component mass flow with attributes and attribute value in outlet stream Net enthalpy flow of inlet stream Larger of: .Product of estimated attributed component mass flow and estimated attribute value in outlet stream .Reactors Component-based Scaling Method Variable Type Component Flows Variable Component mole flow in outlet stream Initial Scale Factor Larger of: .

You can also use RPlug to model reactors with coolant streams (co-current or counter-current). two-. Flowsheet Connectivity for RPlug Heat (optional) Material Material Flowsheet Reactor without Coolant Stream Material Coolant (optional) Material Material Material Coolant (optional) Flowsheet Reactor with Coolant Stream Unit Operation Models Version 10 5-21 .Chapter 5 RPlug Plug Flow Reactor RPlug is a rigorous model for plug flow reactors. RPlug assumes that perfect mixing occurs in the radial direction and that no mixing occurs in the axial direction. RPlug can model one-. You must know the reaction kinetics when you use RPlug to model a reactor. including reactions involving solids. or three-phase reactors. RPlug handles kinetic reactions. You can provide the reaction kinetics through the built-in Reactions models or through a user-defined Fortran subroutine.

process stream) Coolant temperature. and U (coolant . you can also specify the number of tubes. and U (coolant . or temperature profile No required specifications No required specifications U (fluid phase .process stream) continued Reactor with constant coolant temperature Not present Present Present Reactor with co-current coolant Not present Present — Same 5-22 Unit Operation Models Version 10 . Use the heat outlet Specifying RPlug Use the Setup Configuration sheet to specify reactor tube length and diameter.solids phase). U (coolant . When you use this Reactor Type Reactor with specified temperature Adiabatic reactor And fluid and solid phase temperatures are — — Same Different — Same Different And solid phase is — Not present Present Present Specify Reactor temperature. Additional required input for RPlug depends on the reactor type.process stream) U (coolant .Reactors Material Streams Inlet One material feed stream One coolant stream (optional) One coolant stream (optional) Outlet One material product stream Heat Streams Inlet No inlet heat streams stream only for reactors without a coolant stream. U (coolant . If the reactor consists of multiple tubes.solids phase) Coolant temperature.process stream) Coolant temperature.fluid phase). Outlet One heat stream (optional) for the reactor heat duty.solids phase) U (coolant . You can specify the pressure drop across the reactor on the Setup Pressure sheet. and U (fluid phase .

For reactors with an external coolant stream. and U (fluid phase . and list user variables to be included in the profile report Override global values for property methods.process stream) Coolant outlet temperature or molar vapor fraction. The result overrides your specified inlet coolant temperature. U (coolant . You can use a design specification that manipulates the coolant exit temperature or vapor fraction to achieve a specified coolant inlet temperature. RPlug calculates the coolant inlet temperature.solids phase) Coolant outlet temperature or molar vapor fraction.solids phase). and U (fluid phase . simulation options.fluid phase). heat transfer. diagnostic levels. U (coolant .process stream) U (coolant . and report options for this block continued Unit Operation Models Version 10 5-23 . Use the following forms to enter specifications and view results for RPlug: Use this form Setup Convergence Report UserSubroutine BlockOptions To do this Specify operating conditions and reactor configuration.Chapter 5 When you use this Reactor Type Reactor with co-current coolant And solid phase is Not present Present Present And fluid and solid phase temperatures are — Same Different Specify U (coolant . you can use different physical property methods and options (BlockOptions Properties sheet) for the process stream and the coolant stream. and U (coolant . U (coolant . calculation options and parameters for the integrator Specify block-specific report options Specify user subroutine parameters for kinetics. and U (coolant . and specify pressure drops Specify flash convergence parameters.solids phase) Reactor with counter-current coolant Not present — Present Same Present Different For reactors with countercurrent external coolant.process stream) U (coolant . select reaction sets to be included.fluid phase).process stream) Coolant outlet temperature or molar vapor fraction.solids phase). pressure drop.

5-24 Unit Operation Models Version 10 . RPlug can handle only kinetic type reactions. and user variables Specify parameters for dynamic simulations Reactions You must specify reaction kinetics on the Setup Reactions sheet. by referring to Reaction IDs that you select. You can specify one-. Solids Reactions can involve solids. you must specify the heat transfer coefficients on the Setup Specifications sheet. coolant stream conditions. or three-phase calculations. properties. two-. Solids can be: • At the same temperature as the fluid phases • At a different temperature from the fluid phases (only for Reactor Types other than the reactor with specified temperature) In the latter case.Reactors Use this form Results Profiles Dynamic To do this View summary of operating results and mass and energy balances for the block View profiles versus reactor length for process stream conditions. Specify the reaction phases on the Reactions Reactions forms. component and substream attributes.

Chapter 5 RBatch Batch Reactor RBatch is a rigorous model for batch or semi-batch reactors. Flowsheet Connectivity for RBatch Batch charge Heat (optional) Vent (optional) Continuous feed (any number) Product Material Streams Inlet One batch charge stream (required) One or more continuous feed streams for semi-batch reactors (optional) One vent stream for semi-batch reactors (optional) Outlet One product stream (required) Heat Streams Inlet No inlet heat streams Outlet One heat stream (optional) Unit Operation Models Version 10 5-25 . RBatch uses holding tanks and your specified cycle times to provide an interface between the discrete operations of the batch reactor and the continuous streams used by other models. or three-phase reactors. RBatch can model one-. A continuous vent is optional. The reaction runs until it reaches a stop criterion that you specify. Batch operations are unsteady-state processes. Use RBatch when you know the kinetics of the reactions taking place. You can specify any number of continuous feed streams. two-.

You can thus simulate delayed feeds and step changes in feeds. For specified duty reactors. continuous feeds. For reactors with specified coolant temperature.Reactors Specifying RBatch Use the Setup Specifications sheet to specify the reactor conditions. and vent accumulator property profiles Specify parameters for the user kinetics subroutine. RBatch handles the temperature specification in one of the following ways: • By assuming perfect control • By interpreting the specified temperature(s) as the setpoint(s) of a PID controller Use the following forms to enter specifications and view results for RBatch: Use this form Setup Convergence Report UserSubroutine To do this Specify operating conditions. RBatch assumes adiabatic operation if you do not specify a heat duty. and controller parameters Specify convergence parameters for flash calculations. you can specify either a constant heat duty or a heat duty profile. To establish the pressure of the vessel. For a reactor with constant duty. you must specify: • Coolant temperature • An over-all heat transfer coefficient • Total heat transfer area For constant temperature and specified temperature reactors. and user variables for the profile report. vent. and pressure calculations Specify block-specific report options for profiles and reactor. operation times. select reaction sets to be included. enter one of the following specifications on the Setup Specifications sheet: • Constant pressure • Pressure profile • Reactor volume Use the Setup ContinuousFeeds sheet to enter mass flow rates for the continuous feeds at any number of points in time. Use the Setup Operations sheet to specify: • One or more stop criteria • Either a feed time or a batch cycle time Other required input for RBatch depends on reactor type. continued 5-26 Unit Operation Models Version 10 . specify operation stop criteria. name and parameters for the user heat transfer subroutine. integration.

it interprets the specified temperature(s) as the setpoint(s) of a PID controller. Unit Operation Models Version 10 5-27 . This interpretation occurs when: • A two-phase reactor is used • RBatch performs pressure convergence calculations (that is. and user variables Controller RBatch assumes perfect control when one of these conditions exists: • Pressure in the reactor is converged upon (that is. properties. and report options for this block View summary of block operating results and mass and energy balances View time profiles of reactor conditions. simulation options. reactor volume is specified) • A single-phase batch reactor is used with no continuous feed streams If RBatch cannot assume perfect control. continuous feed stream flows. The controller equation is: t  d (T − T s )  s s Q = M c  K (T − T ) + ( K / I ) ∫ (T − T )dt + KD  dt 0   Where: Q = = = = = = = = Reactor heat duty (J/sec) Reactor charge (kg) Proportional gain (J/kg/K) Reactor temperature (K) Temperature set point (K) Integral time (sec) Derivative time (sec) Time (sec) Mc K T Ts I D t The gain factor is a specific gain per unit mass. component attributes.Chapter 5 Use this form Block Options Results Profiles To do this Override global values for physical properties. diagnostic message levels. compositions. reactor volume is specified) • Continuous feeds are present during semi-batch operation Use the Setup Controllers sheet to specify the controller tuning parameters.

and charging the reactor. cleaning. RBatch may not maintain a mass balance around the block. RBatch can only handle kinetic type reactions. RBatch halts the reaction. In addition. For example. you can let RBatch calculate it from your specified reaction and down times for draining. you must specify a halt time for the reaction. you must specify the reactor cycle time. If you specify more than one stop criterion. The resulting net mass flow from the reactor is less than the charge flow by a factor of 45/30=1. Mass Balances Because RBatch uses different cycle times to calculate time-averaged flows. 5-28 Unit Operation Models Version 10 . then specify a feed cycle time.Reactors Reactions Reactions may or may not be present in RBatch. you can specify whether or not RBatch should halt the reaction. Or. suppose you specify a feed time of 30 minutes. You specify the reaction phases on the Reactions Reactions forms. If the reaction does not reach the specified stop criteria by this time. but the down time plus the calculated value reaction time equals 45 minutes. two-. If they are. A stop criterion can be one of the following: • Reaction time • Reactor composition • Vent accumulator or continuous vent composition • Conversion of a component • Amount of material in the reactor or vent accumulator • Vent flow rate • Temperature in the reactor • Vapor fraction in the reactor • Any property specified on the Properties Prop-Sets Properties sheet As the stop criterion variable approaches its cut-off from above or below.5. or three-phase calculations. You can specify one-. because the reaction time is not known at the beginning of block execution. RBatch halts the reaction as soon as one of the criteria is reached. Note If the reactor batch charge stream is in a recycle loop. Cycle Time You can specify a reactor cycle time. Specifying Stop Criteria A reaction runs until one of your specified stop criteria reached. RBatch uses this time to determine the batch charge. you must include the Reaction Set IDs on the Setup Reactions sheet. If you do not specify reactor cycle time.

The vent product stream exits a vent accumulator. multiplied by the feed cycle time. (See figure RBatch Reactor Configuration . unless you specify a time profile for the flow rate of a continuous stream. The flow rate also remains constant. A semi-batch reactor can have a vent product stream. Batch Feed Time is required when Cycle Time is unknown. RBatch always satisfies a mass balance for its own internal batch computations. all internal RBatch calculations and reports will be correct for the computed batch charge. Batch operations are unsteady-state processes. one or more continuous feed streams. It does not exit the reactor itself. Four types of streams are associated with RBatch. and flow rate change with time. temperature. If there is no continuous feed stream. To interface RBatch with a steady-state flowsheet. However. and it is not time-varying. This ensures that the same time is used for averaging the batch change and product streams. Variables like temperature. it is a total cycle time used only to compute the amount of the charge. or both. in contrast to steady-state processes. The mass of the batch charge equals the flow rate of the batch charge stream.No Vent Case. the mass balance around RBatch does not close. RBatch multiplies the flowsheet stream representing the batch charge by a cycle time you enter (either Cycle Time or Batch Feed Time). the mass balance closes only if the cycle time is specified. The composition and temperature of each continuous feed stream remain constant throughout the reaction. the mass balance around RBatch closes only if the cycle time is specified.Chapter 5 Remember that the mass balance pertains to the time-averaged inlet and outlet continuous streams. and the specified value is equal to the calculated reaction time. In all other cases. The vent accumulator is for the continuous (but time-varying) vapor vent leaving the reactor. The mass of the batch charge is equivalent to accumulating the batch charge stream in a holding tank during a reactor cycle.) To compute the amount of the batch charge. If Batch Feed Time differs from the actual computed cycle time. The contents of the holding tank are transferred to the reactor at the beginning of the next cycle . composition. as follows: Batch Charge The material transferred to the reactor at the start of the reactor cycle. Unit Operation Models Version 10 5-29 . Batch Operation RBatch can operate in a batch or in semi-batch mode. The reactor mode is determined by the streams you enter on the flowsheet. If there is a continuous feed stream. and so on are correct. although the compositions. it is necessary to use time-averaged streams. the RBatch flowsheet inlet and outlet streams are not in mass balance. Batch Feed Time is not the time required to charge the reactor.

divided by the reactor cycle time. The flow rate of the reactor product stream equals the total mass in the reactor. The flow rate of the vent product stream is the total mass in the vent accumulator. Vent Product The contents of the vent accumulator at the end of the reactor cycle.Reactors Continuous Feed A steady-state flowsheet stream fed continuously to the reactor during reaction. During the reactor cycle. You can think of this process as analogous to transferring the reactor product to a product holding tank. divided by the reactor cycle time. Feed Holding Tank Flowsheet Stream for Batch Charge Batch charge transferred once each Reactor cycle Product Holding Tank Flowsheet Stream for Reactor Product Reactor product transferred once each cycle RBatch Reactor Configuration—No Vent Case 5-30 Unit Operation Models Version 10 .No Vent Case ). Its flow rate either remains constant or follows a specified time profile. This tank is drawn down during the next reactor cycle to feed the continuous blocks downstream (see figure RBatch Reactor Configuration . Reactor Product The material left in the reactor at the end of the reactor cycle.Vent Case). the time-varying vent stream accumulates in the vent accumulator (see figure RBatch Reactor Configuration . Its composition and temperature remain constant throughout the reaction.

Chapter 5 Feed Holding Tank Vent Accumulator Vent Holding Tank Vent Flowsheet Product Stream for transferred Vent once per Product cycle Product Holding Tank Flowsheet Stream for Reactor Product Flowsheet Stream for Batch Charge Batch charge transferred once each Reactor cycle Optional Flowsheet Stream for Continuous Feed Reactor product transferred once each cycle RBatch Reactor Configuration—Vent Case y y y y Unit Operation Models Version 10 5-31 .

Reactors 5-32 Unit Operation Models Version 10 .

isentropic turbines Multistage polytropic compressors. Compr. isentropic turbines MCompr Multistage compressor or turbine Valve Pipe Valve pressure drop Single segment pipe Control valves and pressure changers Pipe with constant diameter (may include fittings) Pipeline with multiple lengths of different diameter or elevation Pipeline Multiple segment pipeline Use Pump. and models for calculating pressure change through pipes and valves. polytropic positive displacement compressors. Unit Operation Models Version 10 6-1 .Chapter 6 6 Pressure Changers This chapter describes the unit operation models for pumps and compressors. Allows for liquid knockout streams from intercoolers Models pressure drop through a valve Models pressure drop through a single segment of pipe Models pressure drop through a pipe or annular space Use For Pumps and hydraulic turbines Compr Compressor or turbine Polytropic compressors. polytropic positive displacement compressors. isentropic compressors. isentropic compressors. The models are: Model Pump Description Pump or hydraulic turbine Purpose Changes stream pressure when the power requirement is needed or known Changes stream pressure when power requirement is needed or known Changes stream pressure across multiple stages with intercoolers. and MCompr models when energy-related information such as power requirement is needed or known.

or three-phase calculations to determine the outlet stream conditions and to compute the fluid density used in the pump equations. Use the Pump block to rate a pump or a turbine by specifying scalar parameters or by specifying the related performance curves. For special cases. you can specify either: • • Dimensional curves such as head versus flow or power versus flow Dimensionless curves such as head coefficient versus flow coefficient Flowsheet Connectivity for Pump Work (optional) Material Material (any number) Water (optional) Work (optional) Material Streams Inlet At least one material stream One water decant stream (optional) Outlet One material stream 6-2 Unit Operation Models Version 10 . For pressure change only. you can specify two.Pressure Changers Pump Pump/Hydraulic Turbine Use Pump to model a pump or a hydraulic turbine. Use Pump to change pressure when the power requirement is needed or known. you can use other models such as Heater. the compressibility of the fluid. Pump is designed to handle a single liquid phase. and the efficiency specified. such as the relative amounts of the phases present. The accuracy of the results depends on a number of factors. To use the performance curves. Pump can model pumps and hydraulic turbines.

specific speed parameters. See ASPEN PLUS User Models for more information. You can use an optional outlet work stream for the net work load. discharge pressure. and report options for this block View summary of Pump results. Otherwise. pressure ratio. and flash convergence parameters Specify parameters and enter data for the performance curves Specify name and parameters for the user performance curve subroutine Override global values for physical properties. or head coefficient Power curve Pump calculates Power required or produced Power required or produced Power required or produced Discharge pressure Power required or produced Discharge pressure You can supply a Fortran subroutine to calculate performance curves in Pump. The net work load is the sum of the inlet work streams minus the actual (calculated) work load. net positive suction head parameters. valid phases. simulation options. Use the following forms to enter specifications and view results for Pump: Use this form Setup PerformanceCurves UserSubroutines BlockOptions Results To do this Specify operating conditions. diagnostic message levels. Pump uses the inlet work stream(s) only to calculate the net work load. and performance curve summary Unit Operation Models Version 10 6-3 .Chapter 6 Work Streams Inlet Any number of work streams (optional) Outlet One work stream for the net work load (optional) If you do not specify either power or pressure on the Setup Specifications sheet. If you specify Discharge pressure Pressure increase (for a pump) or decrease (for a turbine) Pressure ratio (outlet pressure to inlet pressure) Power required (for a pump) or produced (for a turbine) Curves of head. efficiencies. Pump uses the sum of the inlet work streams as a power specification. material and energy balance results. Specifying Pump Use the Setup Specifications sheet for Pump specifications. pressure change.

Pressure Changers NPSH Available The Net Positive Suction Head (NPSH) available for a pump is defined as: NPSHA = Pin − Pvapor + H v + H s Where: NPSHA = = = = Net Positive Suction Head Available Inlet pressure Vapor pressure of the liquid at inlet conditions Velocity head (= u 2 / 2 g .5  NPSHR =    N ss  Where: 4 3 NPSHR = = = = Net Positive Suction Head Required Pump shaft speed (rpm) Volumetric flow rate at the suction conditions Suction specific speed N Q N ss 6-4 Unit Operation Models Version 10 . The NPSHR can be specified using the performance curves on the PerformanceCurves NPSHR sheet. u is the velocity and g is gravitation constant) Hydraulic static head corrected to the pump centerline Pin Pvapor Hv Hs = The NPSH available has to be greater than the NPSH required (NPSHR) to avoid cavitation.  N Q 0. reliable operation. NPSH required is a function of pump design. or calculated from the following empirical equation by specifying suction specific speed ( N ss ) on the Setup CalculationOptions sheet. NPSH Required The Net Positive Suction Head (NPSH) required can be considered the suction pressure required by the pump for safe.

5 Head 0.Chapter 6 The units for Q and NPSHR are: US: Metric: Q in gal/min and NPSHR in feet Q in cum/hr and NPSHR in meters Specific Speed Specific speed and suction specific speed are two important parameters that define the suitability of a pump design for its intended conditions.75 Where: Head = Head developed across the pump = Specific speed = Pump shaft speed (rpm) = Volumetric flow rate at the suction conditions Ns N Q The units for Q and Head are: US: Metric: Head in feet Head in meters Unit Operation Models Version 10 6-5 . The pump specific speed is defined as: Ns = N Q 0.

5 Head 1. For a turbine.Pressure Changers In general. It is defined as follows: N ss = N Q 0.25 Where: Ns = = = Specific speed Developed horsepower Total dynamic head across turbine BHP Head Suction Specific Speed Suction specific speed ( N ss ) is an index number for a centrifugal pump and is used to define its suction characteristic.5 NPSHR 0. the specific speed is defined as follows: Ns = N BHP 0.75 Where: NPSHR = = = = Net positive suction head required for a pump or net positive discharge head required for a turbine Suction specific speed Pump shaft speed (rpm) Volumetric flow rate at the suction conditions N ss N Q The units for Q and NPSHR are: US: Metric: Q in gal/min and NPSHR in feet Q in cum/hr and NPSHR in meters 6-6 Unit Operation Models Version 10 . pumps with a low specific speed are termed low capacity and those with a high specific speed are termed high capacity.

It is defined as: Flowc = Q A1 u A1 = π × d 12 / 4 Where: Flowc = = = = = Flow coefficient Volumetric flow rate Cross-sectional area of discharge throat Diameter of discharge throat Impeller tip speed Q A1 d1 u Unit Operation Models Version 10 6-7 .Chapter 6 Suction specific speed is a criterion of a pump’s performance with regard to cavitation.000 to 12. Head Coefficient Head coefficient is defined as follows: Headc = Where: Head g u2 Headc Head g u = = = = Head coefficient Head developed across the pump Gravitational constant Impeller tip speed Flow Coefficient Flow coefficient is the ratio of discharge throat velocity to impeller tip speed. For a pump of normal design. values of N ss vary from 6.500.000 in US units. A typical value is 8.

Pressure Changers The diameter of throat and diameter of impeller are related by the following empirical equation: N s = 5500 Where: d1 Diam Ns = = Specific speed at the best efficiency point Diameter of impeller Diam You can specify Specific Speed ( N s ) on the Setup CalculationOptions sheet. 6-8 Unit Operation Models Version 10 .

and three-phase calculations. such as power requirement. such as head coefficient versus flow coefficient Compr can also calculate compressor shaft speed. You can use Compr to rate a single stage of a compressor or a single wheel of a compressor. by specifying the related performance curves. Compr cannot handle performance curves for a turbine. is needed or known. Flowsheet Connectivity for Compr Material (any number) Work (optional) Work (optional) Water (optional) Material Material Streams Inlet At least one material stream One water decant stream (optional) Outlet One material stream Unit Operation Models Version 10 6-9 .Chapter 6 Compr Compressor/Turbine Use Compr to model: • A polytropic centrifugal compressor • A polytropic positive displacement compressor • An isentropic compressor • An isentropic turbine Use Compr to change stream pressure when energy-related information. such as head versus flow or power versus flow • Dimensionless curves. Compr can handle single-phase as well as two. Compr allows you to specify either: • Dimensional curves.

See ASPEN PLUS User Models for more information. You can model a polytropic compressor using either the GPSA or ASME method. Specifying Compr If you specify Discharge pressure Power required (for a compressor) or produced (for a turbine) Curves of head. Otherwise. Some required specifications depend on the compressor type. or head coefficient Discharge pressure and curves of head or power or head coefficient Power required and curves of discharge pressure. The GPSA method can be based on either: • Suction conditions • Average of suction and discharge conditions 6-10 Unit Operation Models Version 10 . pressure ratio. You can model an isentropic compressor/turbine using either the GPSA. or Mollier-based methods. The net work load is the sum of the inlet work streams minus the actual (calculated) work load. You can use an optional outlet work stream for the net work load. or pressure change Compr calculates Power required or produced Discharge pressure Power required and discharge pressure Power required. pressure change. pressure ratio. and shaft speed Discharge pressure. discharge pressure. power. discharge pressure. you can specify either a scalar value of efficiency or efficiency curves. Compr uses the sum of the inlet work streams as a power specification. Specify the compressor type on the Setup Specifications sheet.Pressure Changers Work Streams Inlet Any number of work streams (optional) Outlet One work stream for net work load (optional) If you do not specify either power or pressure on the Compr Setup Specifications sheet. ASME. Compr uses the inlet work stream(s) only to calculate the net work load. and shaft speed When you use performance curves. You can supply a Fortran subroutine to calculate performance curves in Compr.

diagnostic message levels. calculation options. and performance curve summary Specify parameters for dynamic simulations Polytropic Efficiency The polytropic efficiency η p is used in the equation for the polytropic compression ratio: n − 1  k − 1 =  η  k  p n The basic compressor relation is: n −1   Pin Vin  Pout  n ∆h =   − 1   n − 1  Pin  ηp      n  Where: n k = = = = = = Polytropic coefficient Heat capacity ratio Cp/Cv Polytropic efficiency Enthalpy change per mole Pressure Molar volume ηp ∆h P V Unit Operation Models Version 10 6-11 .Chapter 6 The ASME method is more rigorous than the GPSA method for polytropic or isentropic compressor calculations. Use the following forms to enter specifications and view results for Compr: Use this form Setup Performance Curves User Subroutine BlockOptions Results Dynamic To do this Identify compressor specifications. simulation options. and report options for this block View summary of Compr results. material and energy balance results. convergence parameters. The Mollier method is the most rigorous for isentropic calculations. and valid phases Specify parameters and enter data for the performance curves Enter performance curve subroutine parameters and name Override global values for physical properties.

Pressure Changers Isentropic Efficiency There are two equations for the isentropic efficiency ηs For compression: ηs = s hout − hin hout − hin For expansion: ηs = hout − hin s hout − hin = = Molar enthalpy Outlet molar enthalpy assuming isentropic compression or expansion to the specified outlet pressure Where : h s hout Mechanical Efficiency Mechanical efficiency ηm is used to calculate the brake horsepower: IHP = F∆h BHP = IHP / ηm Where: IHP F = = = = = Indicated horsepower Mole flow rate Enthalpy change per mole Brake horsepower Mechanical efficiency ∆h BHP ηm 6-12 Unit Operation Models Version 10 .

The rigorous polytropic compressor uses real fluid properties calculated from the property method you specify. These calculations determine the outlet stream conditions and the properties used in the compressor equations. compressible phase. MCompr handles single-phase isentropic compressors and turbines. Flowsheet Connectivity for MCompr Work (any number) From Stage K-1 Feed to Heat (any number) Stage K+1 (any number) To Stage K+1 Heat (optional) Cooler Compressor Stage K Work (optional) Stage K Stage K Knockout Water (optional) Unit Operation Models Version 10 6-13 .and three-phase mixtures. by using either: • Stage-by-stage dimensional performance curves. It does not assume ideal gas behavior. MCompr cannot handle performance curves for a turbine. MCompr can also handle two. such as head coefficient versus flow coefficient MCompr can also calculate shaft speed. MCompr can handle a single. For special cases you can specify two. such as head versus flow or power versus flow • Wheel-by-wheel dimensionless performance curves. The accuracy of results depends primarily on the relative amounts of the phases present and the efficiency specified. You can use MCompr to rate a multi-stage compressor.or three-phase calculations.Chapter 6 MCompr Multistage Compressor/Turbine Use MCompr to model: • A multi-stage polytropic compressor • A multi-stage polytropic positive displacement compressor • A multi-stage isentropic compressor • A multi-stage isentropic turbine For polytropic compressors.

or one optional global knockout for the liquid formed in all intercoolers Either one optional water decant stream for each intercooler. If you do not specify cooler conditions on the Setup Cooler sheet. MCompr adds the heat streams together and uses the total as a duty specification for the cooler. The net heat load equals the heat in the inlet heat streams minus the actual (calculated) heat duty. If you do not specify power or pressure on the Setup Specs sheet. If you use a work outlet from one stage.Pressure Changers Material Streams Inlet At least one material stream for the first compressor stage One or more material streams for stages after the first (optional). The power in the outlet work stream equals the power in the inlet work streams minus the actual (calculated) power required. If you use a heat outlet from one stage. you must use one for all stages. These streams enter the intercooler before the stages you specify. you must use one for all stages. or one optional global water decant stream Outlet One material stream leaving the last compressor stage If you use liquid knockout outlet streams from one stage. you must use them for all stages. 6-14 Unit Operation Models Version 10 . or one global work MCompr adds all work inlet streams together to provide the power requirement. Heat Streams Inlet Any number of heat streams to each intercooler (optional) or one global heat outlet stream for the net heat duty for all intercoolers Outlet Either one optional heat stream for the net heat load of each intercooler. The last stage cannot have a liquid knockout material stream or a water decant stream. Work Streams Inlet Any number of work streams to each compressor stage (optional) stream for the net power for all compressor stages Outlet Either one optional work stream for net work load. Either one optional knockout material stream for each intercooler for the liquid formed. MCompr uses the total power as a power specification for the stage.

MCompr can have an intercooler between each compression (or expansion) stage. See ASPEN PLUS User Models for more information. and valid phases Specify parameters and enter data for the performance curves Specify performance curve user subroutine parameters and name Specify heating or cooling curve tables and view tabular results continued Unit Operation Models Version 10 6-15 . two-. You can perform one-. The GPSA method can be based on either: • Suction conditions • Average of suction and discharge conditions The ASME method is more rigorous than the GPSA method for polytropic or isentropic compressor calculations. The Mollier method is the most rigorous for isentropic calculations. You can model a polytropic compressor using either the GPSA1 or ASME2 method. stage specifications. pressure change. or Mollier-based methods. and an aftercooler after the last stage. power. pressure ratio. Each cooler can have a liquid knockout stream. You can model an isentropic compressor/turbine using either the GPSA. You can supply a Fortran subroutine to calculate performance curves in MCompr. or head coefficient Discharge pressure and curves of head or power or head coefficient MCompr calculates Power required or produced Discharge pressure Power required and discharge pressure Power required and shaft speed When you use performance curves. cooler specifications.Chapter 6 Specifying MCompr If you specify Discharge pressure Power required (for a compressor) or produced (for a turbine) Curves of head. except the cooler after the last stage. ASME. discharge pressure. or three-phase flash calculations in the intercoolers. Use the following forms to enter specifications and view results for MCompr: Use this form Setup Performance Curves User Subroutine Hcurves To do this Identify multi-stage compressor specifications. you can specify either a scalar value for efficiency or efficiency curves. convergence parameters.

and report options for this block View summary of operating results. simulation options. material and energy balance results. and performance profiles Specify parameters for dynamic simulations Polytropic Efficiency The polytropic efficiency η p is used in the equation for the polytropic compression ratio: n − 1  k − 1 =  η  k  p n The basic compressor relation is: Pin Vin ∆h = n − 1 ηp     n  Where: n k = = = = = = n −1    Pout  n   − 1  Pin       Polytropic coefficient Heat capacity ratio Cp/Cv Polytropic efficiency Enthalpy change per mole Pressure Molar volume ηp ∆h P V Isentropic Efficiency There are two equations for the isentropic efficiency η s For compression: ηs = s hout − hin hout − hin 6-16 Unit Operation Models Version 10 .Pressure Changers Use this form BlockOptions Results Dynamic To do this Override global values for physical properties. compressor and cooler profiles. diagnostic message levels.

Chapter 6 For expansion: ηs = hout − hin s hout − hin Where : h s hout = = Molar enthalpy Outlet molar enthalpy assuming isentropic compression or expansion to the specified outlet pressure Mechanical Efficiency Mechanical efficiency ηm is used to calculate the brake horsepower: IHP = F∆h BHP = IHP / ηm Where: IHP F = = = = = Indicated horsepower Mole flow rate Enthalpy change per mole Brake horsepower Mechanical efficiency ∆h BHP ηm Parasitic Pressure Loss The parasitic pressure loss at the suction of a stage is calculated using the equation: V2 ∆P = Kρ 2 Where: ∆P K = = = = Parasitic pressure loss Velocity head multiplier Density Linear velocity of process gas at suction conditions ρ V Unit Operation Models Version 10 6-17 .

5 SpSpd = (Head) 0.Pressure Changers Specific Speed The specific speed is defined as: ShSpd (VflIn) 0.75 Where: ShSpd VflIn Head = = = Shaft speed Suction volumetric flow rate Head developed Specific Diameter The specific diameter is defined as: ImpDiam (Head) 0.25 SpDiam = (VflIn) 0.5 Where: ImpDiam Head VflIn = = = Impeller diameter of compressor wheel Head developed Volumetric flow rate at suction conditions Head Coefficient The head coefficient is defined as: Hc = Where: Head g π Head g ( π ShSpd ImpDiam) 2 = = = = = Head developed Gravitational constant 3.1416 Shaft speed Impeller diameter of compressor wheel ShSpd ImpDiam 6-18 Unit Operation Models Version 10 .

31-32. ASME Power Test Code 10. GPSA Engineering Data Book. 5-6 to 5-10. Unit Operation Models Version 10 6-19 . Chapter 4. 2. 1979. pp.Chapter 6 Flow Coefficient The flow coefficient is defined as: Fc = VflIn ShSpd (ImpDiam) 3 Where: VflIn ShSpd ImpDiam = = = Volumetric flow rate at suction conditions Shaft speed Impeller diameter of compressor wheel References 1. pp. 1965.

one of the following: • • Flow coefficient at operating valve position Valve operating position (% Opening) 6-20 Unit Operation Models Version 10 . you must specify. Valve relates the pressure drop across a valve to the valve flow coefficient. Flowsheet Connectivity for Valve Material Material Material Streams Inlet One material stream Outlet One material stream Specifying Valve Use the Input Operation sheet to select the calculation type. Valve assumes the flow is adiabatic. one of the following: • Outlet pressure • Pressure drop If you select the Pressure changer option. on the same sheet. If you select the Rating option for the calculation type. and determines the thermal and phase condition of the stream at the valve outlet. or three-phase calculations.Pressure Changers Valve Valve Pressure Drop Valve models control valves and pressure changers. on the same sheet. If you select the Pressure changer option or the Design option for the calculation type. the specification is complete and Valve performs an adiabatic flash to calculate the thermal and phase condition of the outlet stream. two-. Valve can perform one-. you must specify.

Valve uses the valve and pipe diameters. series/style. Use the following forms to enter specifications and view results for Valve: Use this form Input Block Options Results To do this Specify valve operating conditions. calculation options. if you specify that Valve check for choked flow. You can specify the pressure drop ratio factor and the pressure recovery factor for the valve in one of the following ways on the Input ValveParameters sheet: Specify Value at the operating valve position (Pres Drop Ratio Factor. valve parameters. diagnostic message levels. you can specify that Valve: • Check for choked flow • Calculate cavitation index For vapor-containing streams. manufacturer. and Valve convergence parameters Override global values for physical properties. Series/Style. and report options for this block View summary of operating results and mass and energy balances Unit Operation Models Version 10 6-21 . For liquid-containing streams. you must specify the pressure drop ratio factor (Xt) for the valve. sizes for pipe fittings. and Size If you want to include the effect of head loss from pipe fittings on the valve flow capacity. and estimates the piping geometry factor to account for the reduction in flow capacity. valid phases.Chapter 6 If you specify the valve operating position. you must specify the diameters of the valve and pipe fittings on the Input PipeFittings sheet. you must also specify one of the following on the Input ValveParameters sheet: • Characteristic equation type and flow coefficient at maximum valve opening • Data for flow coefficient (Cv) versus valve opening in the Valve Parameters Table • A valve from the built-in library based on valve type. you must also specify the pressure recovery factor (Fl) for the valve. Pres Recovery Factor) Data for pressure drop ratio factor (Xt) and for pressure recovery factor (Fl) versus valve opening (% Opening) in the Valve Parameters Table A valve from the built-in library based on Valve Type. Manufacturer. simulation options. flash convergence parameters. and size On the Input CalculationOptions sheet.

Pressure Changers Pressure Drop Ratio Factor The pressure drop ratio factor ( X t ) accounts for the effect of the internal geometry of the valve on the change in fluid density as it passes through the valve.31 × 10 − 4  C g    Xt = Fk  Cv  2 This relationship is based on equating the choked flow calculated (in US units of measure) with: Universal Gas Sizing Equation ISA Standard Valve Sizing Equation Wch = 106C g rPin . as defined in Fisher Controls Company Control Valve Handbook. you can calculate the pressure drop ratio factor (with the assumption Fk = 1) by either: • • Using valve manufacturer’s data for  Using the expression Cg  dPch   versus in equation (1) Cv  Pin  6. Wch = N 6 Cv Y Fk X t rPin 6-22 Unit Operation Models Version 10 . The pressure drop ratio factor is the limiting value (under choked conditions) of the pressure drop ratio and is given by: Xt = 1  dPch    Fk  Pin  (1) Where: dPch Fk Pin = = = Pressure drop for choked vapor flow Ratio of specific heats factor Inlet pressure You can specify the pressure drop ratio factor on the Input ValveParameters sheet in one of the following ways: • Choose a Library Valve • Enter data for Xt and % Opening in the Valve Parameters Table • Specify the value at the operating valve position in Valve Factors If you know the ratio of the gas sizing coefficient (C g ) to the liquid sizing coefficient (Cv ) .

Valve uses cubic splines to interpolate the value of the pressure drop ratio factor at the operating valve position.667 for choked flow) Numerical constant (= 63. The pressure recovery factor is defined as: ( )  dPch  Fl =    Pin − Pvc  Where: 1/ 2 dPch Pin Pvc and = = = Pressure drop for choked liquid flow Inlet pressure Pressure at the vena contracta in the valve Pvc with = F f Pv Pv = = Vapor pressure of inlet liquid stream Liquid critical pressure ratio factor Ff Unit Operation Models Version 10 6-23 . Valve uses the pressure drop ratio factor only when both of the following are true: • Vapor is present in the inlet stream • The Design or Rating option is selected for Calculation Type on the Input Operation sheet Pressure Recovery Factor The pressure recovery factor Fl accounts for the effect of the internal geometry of the valve on its liquid flow capacity under choked conditions.3 for US units of measure) Y N6 If you specify the pressure drop ratio factor by choosing a valve from the built-in library or by entering data in the Valve Parameters Table on the Input ValveParameters sheet.Chapter 6 Where: Wch r = = = = Mass flow rate (choked flow) Mass density of inlet stream Expansion factor (= 0.

Pressure Changers You can specify the pressure recovery factor on the Input ValveParameters sheet in one of the following ways: • Choose a Library Valve • Enter data for Fl and % Opening in the Valve Parameters Table • Specify the value at the operating valve position in Valve Factors The pressure recovery factor is equivalent to the valve recovery coefficient K m . as defined in Fisher Controls Company Control Valve Handbook. Valve uses cubic splines to interpolate the value of the pressure recovery factor at the operating valve position. The flow coefficient is defined as the number of US gallons per minute of water (at 60 °F) that will pass through the valve with a pressure drop of 1 psi. The pressure recovery factor is used in the Valve model calculations only when all of the following are true: • Liquid is present in the inlet stream • The Check for Choked Flow box is checked or the Set Equal to Choked Outlet Pressure option is selected on the Input CalculationOptions sheet • The Design or Rating option is selected for Calculation Type on the Input Operation sheet. 1985) 1: Liquid Gas/Vapor with W = N 6 Fp Cv r ( Pin − Pout ) W = N 6 Fp Y r ( Pin − Pout ) Y = 1− Pin − Pout 3 Fk X t Pin 6-24 Unit Operation Models Version 10 . The valve flow coefficient relates the pressure drop across the valve to the flow rate as (Instrument Society of America. Valve Flow Coefficient The valve flow coefficient (Cv ) measures the flow capacity of the valve. You can use the valve recovery coefficient to calculate the pressure recovery factor as: Fl = Km If you specify the pressure recovery factor by choosing a valve from the built-in library or by entering tabular data in the Valve Parameters Table on the Input ValveParameters sheet.

Chapter 6 Where: W N6 = = = = = = = = = = Mass flow rate Numerical constant (based on the units of measure) Piping geometry factor Valve flow coefficient Expansion factor Inlet pressure Outlet pressure Mass density of inlet stream Ratio of specific heats factor Pressure drop ratio factor Fp Cv Y Pin Pout r Fk Xt You can specify the flow coefficient in one of the following ways: • Use Flow Coef on the Input Operation sheet to specify the value at the operating valve position • Choose a Library Valve on the Input ValveParameters sheet • Enter data for Cv and % Opening in the Valve Parameters Table on the Input ValveParameters sheet • Specify Valve Characteristics in the Input ValveParameters sheet If you specify the flow coefficient by choosing a valve from the built-in library or by entering data in the Valve Parameters Table. Unit Operation Models Version 10 6-25 . Valve uses cubic splines to interpolate the value of the flow coefficient at the operating valve position.

01P 2 2.Pressure Changers Characteristic Equation Type The characteristic equation for the valve relates the flow coefficient to the valve opening. . (10 − 9.9 × 10 −5 P 2 ) Equal Percentage V = Hyperbolic V = † Where: P = Valve opening as a percentage of maximum opening V = Flow coefficient as a percentage of flow coefficient at maximum opening Piping Geometry Factor The piping geometry factor is defined as: Fp = Cυp Cυ Where: Cυp = = Flow coefficient of the valve with attached fittings Flow coefficient of the valve installed in a straight pipe of the same size Cυ The piping geometry factor accounts for the reduction in the flow capacity of a valve due to the head loss from the pipe fittings.01P 2 V = 10. 01P .0 P V = 10.0 P . Use the Input ValveParameters sheet to specify the characteristic equation type.9 × 10 −3 P 2 ) 0. (10 + 9.0 − 10 × 10 −8 P 4 . The piping geometry factor has a default value of 1.0 if the valve and pipe fittings have the same diameter. 6-26 Unit Operation Models Version 10 . The six built-in characteristic equations are: Type Linear Parabolic Square Root Quick Opening Equation † V=P V = 0.

Unit Operation Models Version 10 6-27 .5 1 − 2  . K B2 D1 D2 If the valve and pipe fittings diameters are different and you wish to include the effect of the additional head loss on the valve flow capacity. 1985)1:  ΣKC 2    υ Fp =  4 + 1   N 2d   −0. K B1 = 1 −   . K 2 K B1 . K B2 = 1 −   . D1  D2   D1   D2    and: Fp Cυ N2 d 2 2 4 4 = = = = = = = = Piping geometry factor Valve flow coefficient Numerical constant (based on the units of measure) Valve diameter Resistance coefficients of the inlet and outlet fittings Bernoulli coefficients for the inlet and outlet fittings Inlet pipe diameter Outlet pipe diameter K1.Chapter 6 ASPEN PLUS calculates the piping geometry factor as (Instrument Society of America. K 2 = 10 1 − 2  . you must specify the valve and pipe diameters on the Input PipeFittings sheet.5 with ΣK = K1 + K2 + K B1 − K B2 Where:    d   d  d2  d2  K1 = 0.

Pressure Changers Choked Flow ASPEN PLUS calculates the limiting pressure drop for choked flow conditions using (Instrument Society of America. Flow in the valve is choked when the pressure drop exceeds this limiting pressure drop. 1985)1: Liquid Vapor with dPlc = F L Pin − F f Pυ 2 ( ) 0.5 dPυc = Fk X T Pin  Pv  F f = 0.96 − 0. liquid phase Limiting pressure drop. Valve takes the limiting pressure drop for choked flow to be the smaller of dPlc and dPvc .28   Pc  Where: FL = = = = = = = = = Pressure recovery factor Liquid critical pressure ratio factor Ratio of specific heats factor Pressure drop ratio factor Inlet pressure Vapor pressure at inlet Critical pressure at inlet Limiting pressure drop. vapor phase Ff Fk XT Pin P υ Pc dPlc dPvc For multi-phase streams. 6-28 Unit Operation Models Version 10 . Valve displays the choking status of the valve if you check the Check for Choking box on the Input CalculationOptions sheet.

1985. ISA-S75. Unit Operation Models Version 10 6-29 . 1985)1:  P − Pout   K c =  in  Pin − Pv  Where: Kc Pin Pout Pv = = = = Cavitation index Inlet pressure Outlet pressure Vapor pressure at inlet The cavitation index definition is valid only for all-liquid streams. Valve calculates the cavitation index if you check the Calculate Cavitation Index box on the Input CalculationOptions sheet. ASPEN PLUS calculates the cavitation index as (Instrument Society of America. Flow Equations for Sizing Control Valves.Chapter 6 Cavitation Index The likelihood of cavitation in a valve is measured by the cavitation index. Instrument Society of America.01-1985. References 1.

two-. use Pipeline instead of Pipe. and fully developed (that is. You can also use Pipe to model the pressure drop due to fittings. To model multiple pipe segments of different diameters or elevations. Pipe assumes the flow is one-dimensional. Pipe handles a single inlet and outlet material stream. Use Pipe to: • Calculate inlet or discharge conditions • Calculate pressure drops for one-. Flow direction and elevation angle are arbitrary. Pipe calculates the inlet pressure and updates the state variables of the inlet stream. If the inlet pressure is known. or three-phase calculations. two-. no entrance effects are modeled). Pipe calculates the outlet pressure.Pressure Changers Pipe Pipe Pressure Drop Pipe calculates the pressure drop and heat transfer in a single segment pipe. Pipe can perform one-. If the outlet pressure is known. steady-state. or three-phase vapor and liquid flows Flowsheet Connectivity for Pipe Material Material Material Streams Inlet One material stream Outlet One material stream 6-30 Unit Operation Models Version 10 .

Select the flow calculation option on the Advanced CalculationOptions sheet to specify whether Pipe is to calculate the outlet or inlet stream flow and composition. If the stream is an external feed to your flowsheet. If the integration direction is upstream.Chapter 6 Specifying Pipe You must specify the following for Pipe: • Pipe length. diameter. and angle on the Setup PipeParameters sheet • Thermal specification type on the Setup ThermalSpecification sheet to determine whether Pipe operates with a temperature profile or temperature is calculated • Whether to integrate. by entering the outlet pressure. you can also specify the initial pressure for Pipe on the Advanced CalculationOptions sheet. or the outlet of a block that will execute after Pipe. assume constant dP/dL. or use a closed form equation on the Advanced Methods sheet • Frictional and holdup correlation when a closed form equation is not used on the Advanced Methods sheet • Pressure and temperature grid for fluid property calculations on the Advanced PropertyGrid sheet. if you request a pressure-temperature grid on the AdvancedCalculation Options sheet • Integration direction in which calculations proceed with respect to flow on the Advanced CalculationOptions sheet If the option selected is Calculate pipe outlet pressure (default) Calculate pipe inlet pressure Pipe needs the Inlet pressure Outlet pressure And the integration direction is Downstream Upstream Pipe uses the inlet or outlet stream pressure to start the calculations. roughness. use the Stream Specifications sheet to specify the stream pressure. This pressure value will override the stream pressure entered on the Stream Specifications sheet. If the option selected is Reference inlet stream (default) Use outlet stream flow Pipe needs the Inlet flow and composition Outlet flow and composition Unit Operation Models Version 10 6-31 .

even if the inlet pressure is being calculated. and report options for this block View summary of Pipe results. Pipe will determine properties by interpolating in a table of property values at various temperatures and pressures. Similarly. material and energy balance results. integration parameters and Beggs and Brill coefficients Specify pressure drop and/or holdup user subroutine name and parameters Override global values for physical properties. you must initialize the outlet stream whenever the option to use the outlet stream flow is selected. solution methods. Specify one of the following if you use the Property Grid: • A range of temperatures and pressures on the Advanced Property Grid sheet. inlet and outlet stream results. simulation options. and profiles Stream Specification You must initialize the inlet stream to Pipe whenever the option to reference inlet stream is selected. thermal specifications. Pipe will calculate properties at these conditions and interpolate • The block ID of a Pipe block for which the option to interpolate from property grid was also selected.Pressure Changers Use the following forms to enter specifications and view results for Pipe: Use this form Setup Advanced UserSubroutine BlockOptions Results To do this Specify pipe parameters. diagnostic message levels. by selecting the option to do Flash at Each Integration Step on the Advanced CalculationOptions sheet. and which will be executed before the current block in the flowsheet 6-32 Unit Operation Models Version 10 . property grid. flash convergence parameters and property profiles to be reported Specify calculation options. If you select the option to Interpolate from Property Grid. The initialized stream must be one of the following: • Entered on a Stream Specifications sheet • An outlet stream from part of the flowsheet executed (if option to use outlet stream flow is selected) • Transferred from another part of a flowsheet using a Transfer block Physical Property Calculations You can specify that a rigorous flash is to be performed each time properties are calculated. fittings.

two-.Chapter 6 Pressure Drop Calculations Pipe can calculate pressure drop for either one-. oil and water) as a single homogeneous liquid phase for pressure-drop and holdup calculations. The next figure. Pipe also calculates liquid holdup and flow regime (pattern). If vapor-liquid flow exists. The following table describes the available combinations. defines the inlet and outlet stream and pressure variables: If the pressure calculation option is Calculate pipe outlet pressure Calculate pipe outlet pressure And the flow calculation option is Reference inlet stream Use outlet stream flow Then Pipe updates the Outlet stream only Outlet stream thermodynamic conditions Inlet stream composition and flow Calculate pipe inlet pressure Calculate pipe inlet pressure Use outlet stream flow Reference inlet stream Inlet stream only Inlet stream thermodynamic conditions Outlet stream composition and flow Inlet Stream Outlet Stream Inlet Pressure Outlet Pressure Downstream and Upstream Integration Unit Operation Models Version 10 6-33 . You may specify a flowing fluid temperature profile. Downstream and Upstream Integration For downstream and upstream integration. Downstream and Upstream Integration. or three-phase vapor and liquid flows. Pipe treats multiple liquid phases (for example. Pipe automatically detects the special case of a single component fluid (for example. the combination of options selected for pressure and flow calculation on the Advanced CalculationOptions sheet determine which stream Pipe will update. or Pipe can determine it from heat transfer calculations. steam) and treats it appropriately.

causing Pipe to predict a negative pressure. In general use. 6-34 Unit Operation Models Version 10 . Equation-of-state methods classify the dense-phase material as either all vapor or all liquid. Erosional Velocity Erosional velocity is the velocity of the fluid in the pipe. During the design specification convergence. definable vapor and liquid phases do not exist. the flow rate variables may become unreasonable in an intermediate iteration. the flow rate should be below this value. above which the pipe material will start to break off. Select option to calculate pipe inlet pressure on the Advanced CalculationOptions sheet for this purpose. You can specify the erosional velocity coefficient on the Setup Pipe Parameters sheet. The erosional velocity is related to the erosional velocity coefficient by the following equation: υc = c ρ Where: υc = Erosional velocity in ft/second c = Erosional velocity coefficient (default=100) ρ = Density in lbs/cubic ft Methane Gas Systems Gas systems consisting mostly of methane occur frequently in the dense-phase region of wellbores and flowlines. The fluid is traveling so fast that it starts to strip material from the walls of the pipe. Significant differences in the predicted fluid transport properties may occur. You can avoid this situation by doing one of the following: • • Keep the upper limit of the flow rate sufficiently low in Design-Spec Perform an upstream integration from the known outlet pressure. depending on whether you choose the vapor or liquid state. For example. Define a Design-Spec to manipulate the flow rate to achieve the specified inlet pressure.Pressure Changers Design-Spec Convergence Loop Use caution when using Pipe inside a Design-Spec convergence loop. In the dense-phase region. Convergence difficulties occur as a result. you can manipulate the flow rate to a pipe to achieve a desired pipe outlet pressure.

and miscellaneous L/D. plus any equivalent pipe length due to valves. If the order and position of the valves and fittings are important. where the pipe conditions lie above the cricondenbar of the phase envelope. The total length Pipe uses in calculations corresponds to the specified pipe length. specifying zero length of pipe. fittings. specify vapor-only valid phase on the Setup FlashOptions sheet. Two-Phase Friction Factor Correlations Pipe orientation Horizontal Inclination -2 deg to +2 deg Friction factor correlations Beggs and Brill (BEGGS-BRILL) Dukler (DUKLER) Lockhart-Martinelli (LOCK-MART) User subroutine (USER-SUBR) Beggs and Brill (BEGGS-BRILL) Orkiszewski (ORK) Angel-Welchon-Ros (AWR) Hagedorn-Brown (H-BROWN) † User subroutine (USER-SUBR) Beggs and Brill (BEGGS-BRILL) Slack (SLACK) Darcy (DARCY) † User subroutine (USER-SUBR) Vertical +45 deg to +90 deg Downhill -2 deg to -90 deg † See ASPEN PLUS User Models. continued Unit Operation Models Version 10 6-35 . Pipe adjusts the angle from the horizontal to achieve the same vertical rise or fall for the total length used in the calculations. you need to model each valve and fitting separately with a Pipe model. Two-Phase Correlations The following tables list the two-phase frictional pressure drop and holdup correlations available.Chapter 6 Experience has shown that gas system flow in the dense-phase region is best modeled by using vapor-phase properties. Modeling Valves and Fittings Pipe assumes that the pressure drop due to valves and fittings is distributed evenly along the specified length of the pipe. If the pipe is not horizontal. For systems consisting of mostly methane. This adjustment ensures the correct pressure drop due to elevation.

Brill and H. 6-36 Unit Operation Models Version 10 . 1991. Third Printing. Note Some of the related information for the two-phase friction factor and liquid holdup correlations was taken from "Two-Phase Flow in Pipes" by James P.Pressure Changers Pipe orientation Inclined Inclination +2 deg to +45 deg Friction factor correlations Beggs and Brill (BEGGS-BRILL) Dukler (DUKLER) Orkiszewski (ORKI) Angel-Welchon-Ros (AWR) Hagedorn-Brown (H-BROWN) Darcy (DARCY) † User subroutine (USER-SUBR) † See ASPEN PLUS User Models. Dale Beggs. Sixth Edition. January. Two-Phase Liquid Holdup Correlations Pipe orientation Horizontal Inclination -2 deg to +2 deg Liquid holdup correlations Beggs and Brill (BEGGS-BRILL) Eaton (EATON) Lockhart-Martinelli (LOCK-MART) Hoogendorn (HOOG) Hughmark (HUGH) † User subroutine (USER-SUBR) Beggs and Brill (BEGGS-BRILL) Orkiszewski(ORKI) Angel-Welchon-Ros (AWR) Hagedorn-Brown (H-BROWN) † User subroutine (USER-SUBR) Beggs and Brill (BEGGS-BRILL) Slack (SLACK) † User subroutine (USER-SUBR) Beggs and Brill (BEGGS-BRILL) Flanigan (FLANIGAN) Orkiszewski (ORKI) Angel-Welchon-Ros (AWR) Hagedorn-Brown (H-BROWN) † User subroutine (USER-SUBR) Vertical +45 deg to +90 deg Downhill -2 deg to -90 deg Inclined +2 deg to +45 deg † See ASPEN PLUS User Models.

It may exhibit problems for oil wells with high water cuts or high total gas to liquid ratios. 2 The Dukler method was developed from field data using air-water mixtures in 1-inch pipes. It is suitable for all inclinations. including vertical flow downward. Lockhart-Martinelli Correlation The Lockhart-Martinelli correlation4 is one of the oldest pressure drop correlations. and is based on data obtained from U. Our implementation assumes turbulent gas and liquid phase flow. It is suitable for vertical upward flow. 5 Unit Operation Models Version 10 6-37 . The method treats the vapor and liquid phases separately and uses a correction factor to find the 2-phase pressure gradient. It is generally reliable for oil wells. but flow regime is not considered. but not downward. It is recommended in a design manual published jointly by the AGA and API. Hagedorn-Brown Correlation The Hagedorn-Brown correlation3 considers slip between phases. It tends to overpredict frictional pressure drop.Chapter 6 Beggs and Brill Correlation The Beggs and Brill correlation1 considers slip and flow regimes are considered with this method. Orkiszewski Correlation Slip and flow regimes are considered in the Orkiszewski correlation . Friction factor and holdup correlations depend on flow regime and pipe inclination.S. but not downward. Dukler Correlation The Hughmark holdup method should be used with this pressure drop method. The friction factor and holdup correlation depend on the flow regime. It uses the same correlations for liquid holdup and friction factor for all flow regimes. Gulf Coast oil wells with 2-3/8 inch and 2-7/8 inch tubing. It is suitable for vertical flow upward. It is an old method which works well for conventional oil wells. It does not consider pressure drop due to acceleration. It is generally recommended for gas wells. It can significantly underpredict pressure drop for higher rate and higher 3 pressure wells (Beggs and Brill/1984) .

0). It is often used with the Dukler frictional pressure drop correlation. alpha (default = 0. BB10 (default = 1. beta (default = 0. A (default = 1.0173) Leading coefficient. exp.5824) Froude no. It calculates liquid holdup as a function of superficial gas velocity. 6-38 Unit Operation Models Version 10 . A (default = 0. Flow Regime Segregated Name BB1 BB2 BB3 BB4 BB5 BB6 BB7 BB8 BB9 Description Leading coefficient. exp.0868) Leading coefficient. and a 17-inch pipe with a gas-oil mixture..0609) Intermittent Distributed In addition.Pressure Changers Angel-Welchon-Ros Correlation The Angel-Welchon-Ros correlation method6. Eaton Correlation The Eaton correlation8 holdup method was developed from data on 2.. beta (default = 0. alpha (default = 0. you can change the Beggs and Brill two-phase Friction Factor modifier. and should be used only for downhill flow. It is suitable for inclined flow. Beggs and Brill Correlation Parameters The following table lists the Beggs and Brill liquid holdup correlation parameters.and 4-inch pipes with a gas-water-crude mixture. 7 was developed for low gas-to-liquid ratio water wells.4846) Froude no. exp.5351) Froude no. beta (default = 0.845) Liquid volume fraction exponent. A (default = 0.. It assumes no slip between the vapor and liquid phases when calculating liquid holdup. alpha (default = 0. Flanigan Correlation The Flanigan correlation9 holdup methodwas developed from data taken in a 16-inch pipe.065) Liquid volume fraction exponent. Slack Correlation The Slack correlation method assumes a stratified flow regime.98) Liquid volume fraction exponent.

Smith results must be cross-checked against the Turner predicted critical rates to verify that the well is unloaded. 11 AGA The AGA method may be used for horizontal gas applications.5 bbls/mcf. Smith does not model gas well loadup.8 inches to 11. and flow rates above the Turner predicted critical rate. water-gas ratios less than 3.8 inches. 12 Oliphant The Oliphant method13 may be used for horizontal gas applications with pressures between vacuum and 100 PSI. Weymouth The Weymouth horizontal gas flow equation was first published in 1912. It is based on data taken on pipes with diameters from 0. As a result. It should be considered for gas wells with condensate-gas ratios less than 50 bbls/mcf. it is most accurate for smaller pipes having a diameter less than 12 inches.Chapter 6 Closed-Form Methods The following are closed-form methods: • Smith • Weymouth • AGA • Oliphant • Panhandle A • Panhandle B • Hazen-Williams Smith The Smith method10 may be used for vertical dry gas flow. Smith also does not model condensation of water vapor in the wellbore. Unit Operation Models Version 10 6-39 . and will significantly under predict wellbore pressure drop if loadup is actually occurring.

R. 1. "Predicting Two-Phase Pressure Drops in Vertical Pipe. "Frictional Pressure Drop in Two-Phase Flow: An Approach Through Similarity Analysis. As a result. and Brill. pp." AIChE Journal. Wicks. No. the Hazen-Williams Coefficient must be specified in place of the Segment Efficiency on the Connectivity Edit dialog box. pp. It accounts for the gas compressibility factor." University of Tulsa Short Course Notes.P.. 4. This equation is not quite so Reynolds-Number dependent as the Panhandle A equation. May 1973. Orkiszewski. J. References 1. 6-40 Unit Operation Models Version 10 .. H. A. 2. Vol. January 1964.E. Beggs." Chemical Engineering Progress. Lockhart.Pressure Changers Panhandle A The Panhandle A method14 was developed by Panhandle Eastern for horizontal gas flow in large diameter cross country gas transmission lines. Beggs. Two-Component Flow in Pipes. 829-838. When this method is used. it is best used on lines having diameters larger than 12 inches. and Brill.G. Vol. R. 1949. 607-617. too. 39-48.. and Cleveland. 3." Journal of Petroleum Technology." Journal of Petroleum Technology. it does not account for gas compressibility (Z-factor). February 1984.. 45. and assumes completely turbulent flow. 10. It is also called the "Panhandle Eastern Revised Equation". June 1967.W. H. "Proposed Correlation of Data for Isothermal Two-Phase. Hazen-Williams The Hazen-Williams method14 was developed for the horizontal flow of water. although it. Third Printing. is best for pipe diameters of 12 inches or more. and Martinelli. 44-51.C. "A Study of Two-Phase Flow in Inclined Pipes. M. Dukler. Panhandle B The Panhandle B method14 is a revised version of the Panhandle A method for horizontal gas flow and was developed by Panhandle Eastern.D. 5.D.P. J. R. and has revised exponents. However... J. pp. "Two-Phase Flow in Pipes. pp.

pp.. 1964.N. June 1967.. 1912. Ros. 7. pp. 815-828. B.C. Smith. Orin. 9. Vol. 100-114.R. 14. and Pressure Losses Occurring During Continuous Two-Phase Flow in Horizontal Pipelines. 1950. R. 1965.A.. pp. R. March 10.. 13. Oklahoma. "Production of Natural Gas. Flanigan.J." Report of USGS. Angel. Volume 189. pp. 11. 12. "Steady Flow in Gas Pipes. J.." AIME Petroleum Transactions. Volume II. 1958. "Low-Ratio Gas-Lift Correlation for CasingTubing Annuli and Large Diameter Tubing. Revised Tenth Edition." American Gas Association. 73-82." API Drilling and Production Practice. "Determining Friction Factors for Measuring Productivity of Gas Wells. 132141." Oil and Gas Journal. Eaton. Tulsa.R. 34. 10. AIME. et al. Chicago. Liquid Holdup. "Simultaneous Flow of Gas and Liquid as Encountered in Well Tubing. Transactions of the American Society of Mechanical Engineers. IGT Technical Report 10. F.Chapter 6 6. Gas Processors Suppliers Association. N. 1994. October 1961.K." Trans. 1037-1049. "Effect of Uphill Flow on Pressure Drop in Design of TwoPhase Gathering Systems. 1902. T. Engineering Data Book. 8... Oliphant. pp. and Welchon." Journal of Petroleum Technology. V. Unit Operation Models Version 10 6-41 . "The Prediction of Flow Patterns. Weymouth.

To model a single pipe segment with constant diameter and elevation. two-. Pipeline calculates liquid holdup and flow regime (pattern). Flow is assumed to be one-dimensional. If vapor-liquid flow exists. oil and water) as a single homogeneous liquid phase for pressure-drop and holdup calculations. You may specify a flowing fluid temperature profile. and fully developed (no entrance effects are modeled). Pipeline treats multiple liquid phases (for example. Flow direction and elevation angle are arbitrary. steadystate. Pipeline can: • Simulate a piping network with successive blocks.Pressure Changers Pipeline Pipe Pressure Drop Use Pipeline to calculate the pressure drop in a straight pipe or annular space. including wellbores and flowlines • Contain any number of segments within each block to describe pipe geometry • Calculate inlet or discharge conditions • Calculate pressure drops for one-. Flowsheet Connectivity for Pipeline Material Material Pipeline Streams Material Streams Inlet One material stream Outlet One material stream 6-42 Unit Operation Models Version 10 . you can also use Pipe. or three-phase vapor and liquid flows. or Pipeline can calculate it from heat transfer calculations.

Use the Pipeline flow basis option on the Setup Configuration sheet to specify whether Pipeline is to calculate the outlet or inlet stream flow and composition. the temperature will be same at every node. If neither the inlet nor the outlet temperatures are specified. If the stream is an external feed to your flowsheet.Chapter 6 Specifying Pipeline Use the Calculation Direction option on the Setup Configuration sheet to specify whether Pipeline is to calculate the outlet or inlet pressure. Unit Operation Models Version 10 6-43 . the temperature of the referenced stream will be used. You can also specify the initial pressure for Pipeline on the Setup Configuration sheet by entering the pressure value at the inlet or outlet. When you choose the Constant Temperature option. use the Streams Specifications sheet to specify the stream pressure. If Calculation Direction = Calculate outlet pressure (default) Calculate inlet pressure Pipeline will need the Inlet pressure Outlet pressure And the integration direction is Downstream Upstream Pipeline uses the inlet or outlet stream pressure to start the calculations. If Pipeline flow basis= Use inlet stream flow (default) Reference outlet stream flow Pipeline will need the Inlet flow and composition Outlet flow and composition Use Thermal Options on the Setup Configuration sheet to specify whether or not the node temperatures are to be calculated by Pipeline using an energy balance. the temperature at each node can be specified. This pressure value overrides the stream pressure. When you select the Specify Temperature Profile option. or the outlet of a block that will execute after Pipeline. you can specify the temperature at one or more nodes. You can define this temperature by specifying the inlet temperature (for downstream integrations) or the outlet temperature (for upstream integrations). When you choose the linear temperature profile option. Pipeline will do a linear interpolation between the temperatures specified to calculate the fluid temperature in each segment.

calculation methods. Enter specifications for each segment on the Setup Connectivity Segment Data dialog box . Y. even if the inlet pressure is being calculated. you must initialize the outlet stream whenever you select the Reference Outlet Stream Flow option. The initialized stream must be one of the following: • On a stream form • An outlet stream from part of the flowsheet executed previously • Transferred from another part of a flowsheet using a Transfer block Nodes and Segments Create at least one segment using the New button on the Pipeline Setup Connectivity sheet. property grid parameters. and report options for this block Specify name and parameters for pressure drop and liquid holdup user subroutines View summary of Pipeline results. Similarly.Pressure Changers Use the following forms to enter specifications and view results for Pipeline: Use this form Setup To do this Specify pipeline configuration. then Pipeline uses the stream values. The required data depends on the options selected on the Setup Configuration sheet. profiles. valid phases. inlet and outlet stream results. If specifications are not made for the nodes. If you select Do Energy Balance with Surroundings. diagnostic message levels. If you select Enter Node Coordinate. 6-44 Unit Operation Models Version 10 . enter the inlet and outlet node names (maximum 4 characters). simulation options. you must enter node coordinates (X. flash convergence parameters. and block-specific diagnostic message level Override default values for integration parameters. segment connectivity and characteristics. You must enter Length and Angle for each segment if you select Enter Segment Length and Angle. correlation parameters and Beggs and Brill coefficients (optional input) Override global values for physical properties. Pipeline uses the temperatures specified for the nodes to override the stream values. and Elevation) for each segment node. and material and energy balance results Convergence BlockOptions UserSubroutines Results Stream Specification You must initialize the inlet stream to Pipeline whenever the Use Inlet Flow option is selected for Pipeline Flow Basis. downhill flow options. For each segment. you must specify a heat transfer coefficient (U-Value) and the ambient temperature. If you select the Linear Temperature Profile option.

If vapor-liquid flow exists. the combination of the selections made for Calculation Direction and Pipeline Flow Basis on the Setup Configuration sheet determine which stream Pipeline will update. two-. • The block ID of a Pipeline block for which you selected Interpolate from the Property Grid. Pipeline calculates properties under these conditions and interpolates them.Chapter 6 Physical Property Calculations You can specify a rigorous flash each time properties are calculated by selecting Do Flash at Each Step on the Setup Configuration sheet. or Pipeline can calculate it from heat transfer calculations. defines the inlet and outlet stream and pressure variables. The following table describes the available combinations. and which will be executed before the current block in the flowsheet. or three-phase vapor and liquid flows. Downstream and Upstream Integration. Pipeline will determine properties by interpolating in a table of property values at various temperatures and pressures. If you specify Calculation Direction= Calculate Outlet Pressure Calculate Outlet Pressure And Pipeline Flow Basis= Reference inlet stream flow Use outlet stream flow Then Pipeline updates the Outlet stream only Outlet stream thermodynamic conditions Inlet stream composition and flow Calculate Inlet Pressure Calculate Inlet Pressure Reference Outlet Stream Flow Use Inlet Stream Flow Inlet stream only Inlet stream thermodynamic conditions Outlet stream composition and flow Unit Operation Models Version 10 6-45 . If Interpolate from Property Grid is selected. Pipeline automatically detects the special case of a single component fluid (for example. oil and water) as a single homogeneous liquid phase for pressure-drop and holdup calculations. You may specify a flowing fluid temperature profile. Downstream and Upstream Integration For downstream and upstream integration. Specify one of the following if you use the Property Grid: • A range of temperatures and pressures grid on the Setup PropertyGrid sheet. Pipeline also calculates liquid holdup and flow regime (pattern). The next figure. Pipeline treats multiple liquid phases (for example. steam) and treats it appropriately. Pressure Drop Calculations Pipeline can calculate pressure drop for either one-.

In general usage. The erosional velocity is related to the erosional velocity coefficient by the following equation: vc = c ρ Where: vc ρ c = = = Erosional velocity in ft/sec Erosional velocity coefficient (default=100) Density in lb/cubic ft 6-46 Unit Operation Models Version 10 . the flow rate should be below this value. For example. the flow rate variable might cause Pipeline to predict negative pressures. The fluid is traveling so fast that it starts to strip material from the walls of the pipe. You can avoid this situation by doing one of the following: • Keep the upper limit of the flow rate sufficiently low in the Design-Spec • Perform an upstream integration from the known outlet pressure. suppose you achieve a desired pipeline outlet pressure by varying the flow rate to the pipeline. Erosional Velocity Erosional velocity is the velocity of the fluid in the pipe over which the pipe material will start to break off. Use Calculate Inlet Pressure on the Setup Configuration sheet for this purpose. You can specify the erosional velocity coefficient in the C-Erosion field on the Segment Data dialog box on the Setup Connectivity sheet.Pressure Changers Inlet Stream Outlet Stream Inlet Pressure Outlet Pressure Downstream and Upstream Integration Design Spec Convergence Loop Use caution when using Pipeline inside a Design-Spec convergence loop. Your Design-Spec will then need to manipulate the flow rate to achieve the specified inlet pressure. In this case. resulting in convergence problems.

Two-Phase Correlations The following tables list the two-phase frictional pressure drop and holdup correlations available. where the pipeline conditions lie above the cricondenbar of the phase envelope. For systems consisting of mostly methane. Equation-of-state methods classify the dense-phase material as either all vapor or all liquid. Unit Operation Models Version 10 6-47 .Chapter 6 Methane Gas Systems Gas systems consisting mostly of methane occur frequently in the dense-phase region of wellbores and flowlines. depending on whether you choose the vapor or liquid state. Two-Phase Friction Factor Correlations Pipe orientation Horizontal Inclination -2 deg to +2 deg Friction factor correlations Beggs and Brill (BEGGS-BRILL) Dukler (DUKLER) Lockhart-Martinelli (LOCK-MART) Darcy (DARCY) † User subroutine (USER-SUBR) Beggs and Brill (BEGGS-BRILL) Orkiszewski (ORKI) Angel-Welchon-Ros (AWR) Hagedorn-Brown (H-BROWN) Darcy (DARCY) † User subroutine (USER-SUBR) Beggs and Brill (BEGGS-BRILL) Slack (SLACK) Darcy (DARCY) † User subroutine (USER-SUBR) Beggs and Brill (BEGGS-BRILL) Dukler (DUKLER) Orkiszewski (ORKI) Angel-Welchon-Ros (AWR) Hagedorn-Brown (H-BROWN) Darcy (DARCY) † User subroutine (USER-SUBR) Vertical +45 deg to +90 deg Downhill -2 deg to -90 deg Inclined +2 deg to +45 deg † See ASPEN PLUS User Models. specify Valid Phases = Vapor only on the Setup FlashOptions sheet. Significant differences in the predicted fluid transport properties may occur. In the dense-phase region. Experience has shown that gas system flow in the dense-phase region is best modeled by using vapor-phase properties. definable vapor and liquid phases do not exist.

Third Printing. including vertical flow downward. Dale Beggs. It tends to over-predict frictional pressure drop.Pressure Changers Two-Phase Liquid Holdup Correlations Pipe orientation Horizontal Inclination -2 deg to +2 deg Liquid holdup correlations Beggs and Brill (BEGGS-BRILL) Eaton (EATON) Lockhart-Martinelli (LOCK-MART) Hoogendorn (HOOG) Hughmark (HUGH) † User subroutine (USER-SUBR) Beggs and Brill (BEGGS-BRILL) Orkiszewski (ORKI) Angel-Welchon-Ros (AWR) Hagedorn-Brown (H-BROWN) † User subroutine (USER-SUBR) Beggs and Brill (BEGGS-BRILL) Slack (SLACK) † User subroutine (USER-SUBR) Beggs and Brill (BEGGS-BRILL) Flanigan (FLANIGAN) Orkiszewski (ORKI) Angel-Welchon-Ros (AWR) Hagedorn-Brown (H-BROWN) † User subroutine (USER-SUBR) Vertical +45 deg to +90 deg Downhill -2 deg to -90 deg Inclined +2 deg to +45 deg † See ASPEN PLUS User Models. Friction factor and holdup correlations depend upon flow regime and pipe inclination. Brill and H. It is recommended in a design manual published jointly by the AGA and API. January. Dukler Correlation The Hughmark holdup method should be used with this pressure drop method. Sixth Edition. It is suitable 1 for all inclinations. Beggs and Brill Correlation Slip and flow regimes are considered with this method. 1991. 6-48 Unit Operation Models Version 10 . Note Some of the related information for the two-phase friction factor and liquid holdup correlations was taken from "Two-Phase Flow in Pipes" by James P. The Dukler method was developed from field data using air-water mixtures in 2 1-inch pipes.

S. but flow regime is not considered.and 4-inch pipes with a gas-water-crude mixture. Our implementation assumes turbulent gas and liquid phase flow.Chapter 6 Hagedorn-Brown Correlation The Hagedorn-Brown correlation3 considers slip between phases. Slack Correlation This method assumes a stratified flow regime. Orkiszewski Correlation The Orkiszewsi correlation considers slip and flow regimes 5. Eaton Correlation The Eaton correlation8 holdup method was developed from data on 2. It assumes no slip between the vapor and liquid phases when calculating liquid holdup. It can significantly underpredict pressure drop for higher rate and higher pressure 3 wells (Beggs and Brill/1984) . but not downward. but not downward. It does not consider pressure drop due to acceleration. The friction factor and holdup correlation depend on the flow regime. Unit Operation Models Version 10 6-49 . Angel-Welchon-Ros Correlation This Angel-Welchon-Ros method6.7 was developed for low gas-to-liquid ratio water wells. and should be used only for downhill flow. It is often used with the Dukler frictional pressure drop correlation. It uses the same correlations for liquid holdup and friction factor for all flow regimes. and a 17-inch pipe with a gas-oil mixture. It is suitable for vertical upward flow. The method treats the vapor and liquid phases separately and uses a correction factor to find the 2-phase pressure gradient. Lockhart-Martinelli Correlation The Lockhart-Martinelli correlation4 is one of the oldest pressure drop correlations. It is suitable for vertical flow upward. It is generally recommended for gas wells. It may exhibit problems for oil wells with high water cuts or high total gas to liquid ratios. Gulf Coast oil wells with 2-3/8 inch and 2-7/8 inch tubing. It is an old method that works well for conventional oil wells. It is generally reliable for oil wells. and is based on data obtained from U.

065) Liquid volume fraction exponent..0609) Intermittent Distributed In addition. beta (default = 0.5351) Froude no. A (default = 0.5824) Froude no.0868) Leading coefficient. Beggs and Brill Correlation Parameters The following table lists the Beggs and Brill liquid holdup correlation parameters. exp.845) Liquid volume fraction exponent. A (default = 0.4846) Froude no. you can change the Beggs and Brill two-phase Friction Factor modifier. exp. exp. It is suitable for inclined flow. A (default = 1. beta (default = 0. BB10 (default = 1. beta (default = 0.98) Liquid volume fraction exponent. It calculates liquid holdup as a function of superficial gas velocity. alpha (default = 0.0173) Leading coefficient. alpha (default = 0. alpha (default = 0..0).. Closed-Form Methods The following are closed-form methods: • • • • • • • Smith Weymouth AGA Oliphant Panhandle A Panhandle B Hazen-Williams 6-50 Unit Operation Models Version 10 .Pressure Changers Flanigan Correlation The Flanigan correlation9 holdup method was developed from data taken in a 16-inch pipe. Flow Regime Segregated Name BB1 BB2 BB3 BB4 BB5 BB6 BB7 BB8 BB9 Description Leading coefficient.

it is most accurate for smaller pipes having a diameter less than 12 inches.5 bbls/mcf. although it. It is also called the "Panhandle Eastern Revised Equation". it is best used on lines having diameters larger than 12 inches. AGA The AGA method12 may be used for horizontal gas applications. Weymouth The Weymouth11 horizontal gas flow equation was first published in 1912. It accounts for the gas compressibility factor. and has revised exponents. However. Smith results must be cross-checked against the Turner predicted critical rates to verify that the well is unloaded. it does not account for gas compressibility (Z-factor). This equation is not quite so Reynolds-Number dependent as the Panhandle A equation. is best for pipe diameters of 12 inches or more. As a result. and assumes completely turbulent flow.8 inches to 11. and flow rates above the Turner predicted critical rate. Smith also does not model condensation of water vapor in the wellbore. As a result. It is based on data taken on pipes with diameters from 0. Unit Operation Models Version 10 6-51 . too. and will significantly underpredict wellbore pressure drop if loadup is actually occurring. water-gas ratios less than 3. Oliphant The Oliphant method13 may be used for horizontal gas applications with pressures between vacuum and 100 PSI. Smith does not model gas well loadup. Panhandle B The Panhandle B method14 is a revised version of the Panhandle A method for horizontal gas flow and was developed by Panhandle Eastern. Panhandle A The Panhandle A method14 was developed by Panhandle Eastern for horizontal gas flow in large diameter cross country gas transmission lines. It should be considered for gas wells with condensate-gas ratios less than 50 bbls/mcf.Chapter 6 Smith The Smith method10 may be used for vertical dry gas flow.8 inches.

A. pp.. No. Volume 189.J. 34. "Proposed Correlation of Data for Isothermal Two-Phase. and Cleveland. 1037-1049. pp. IGT Technical Report 10. 9. "Steady Flow in Gas Pipes. and Pressure Losses Occurring During Continuous Two-Phase Flow in Horizontal Pipelines. "Frictional Pressure Drop in Two-Phase Flow: An Approach Through Similarity Analysis." University of Tulsa Short Course Notes. R. Two-Component Flow in Pipes." AIME Petroleum Transactions.G. May 1973.P. and Brill. J. 39-48. Liquid Holdup. Wicks. pp." Journal of Petroleum Technology. R. 1949. Ros. J. J. References 1. and Brill. Vol. AIME. H.. "Determining Friction Factors for Measuring Productivity of Gas Wells.D.P. 4.. 11. Vol. Smith. T. J. 1950." Journal of Petroleum Technology. pp. 8. March 10.D. 829-838.. R. 73-82." AIChE Journal." Oil and Gas Journal.. "A Study of Two-Phase Flow in Inclined Pipes. Orkiszewski. 7. "Low-Ratio Gas-Lift Correlation for CasingTubing Annuli and Large Diameter Tubing. pp. H. Weymouth. "Effect of Uphill Flow on Pressure Drop in Design of TwoPhase Gathering Systems.C. 5. Lockhart. B." API Drilling and Production Practice. "Predicting Two-Phase Pressure Drops in Vertical Pipe. Beggs.Pressure Changers Hazen-Williams The Hazen-Williams method14 was developed for the horizontal flow of water When this method is used. 1958. 6-52 Unit Operation Models Version 10 . 10. and Martinelli. 1912. pp." Trans. A.." Chemical Engineering Progress. 12. and Welchon..R. pp. V.. Eaton. Vol. 815-828.E. M." Journal of Petroleum Technology. 1. Chicago. Transactions of the American Society of Mechanical Engineers.. 6. R. "Simultaneous Flow of Gas and Liquid as Encountered in Well Tubing.W. pp.C.. June 1967. 132141. et al. 44-51. pp.. Dukler. October 1961. "The Prediction of Flow Patterns. Third Printing. the Hazen-Williams Coefficient must be specified in place of the Segment Efficiency on the Connectivity Edit Dialog Box. 100-114. 45. R. Beggs. June 1967. February 1984. Orin. 1964." American Gas Association.K. January 1964. 1965. "Two-Phase Flow in Pipes. 3. 10. Flanigan. N. 2. 607-617.R. Angel.

" Report of USGS.N. 1994. y y y y Unit Operation Models Version 10 6-53 . Gas Processors Suppliers Association. 14.. Engineering Data Book. 1902. Revised Tenth Edition. Oklahoma. "Production of Natural Gas.Chapter 6 13. Tulsa. Volume II. F. Oliphant.

Pressure Changers 6-54 Unit Operation Models Version 10 .

Chapter 7 7 Manipulators This chapter describes the models for stream manipulators. They do not represent real unit operations. Unit Operation Models Version 10 7-1 . The models are: Model Mult Dupl ClChng Description Stream multiplier Stream duplicator Stream class changer Purpose Multiplies component and total flow rates by a factor Copies inlet stream into any number of duplicate outlet streams Changes stream class between blocks and flowsheet sections Use For Scaling streams by a factor Duplicating feed or internal streams Adding or deleting empty solid substreams between flowsheet sections Use stream manipulators to modify stream variables for your convenience.

Select the Heat (Q) and Work (W) Mult icons from the Model Library for heat and work streams respectively. Mult is useful when other conditions during the simulation determine the flow rate of the stream. Mult multiplies the heat or work flow. the outlet stream has the same composition and intensive properties as the inlet stream. Mult does not maintain heat or material balances. For heat or work streams. For material streams.Manipulators Mult Stream Multiplier Mult multiplies the component flow rates and the total flow rate of a material stream by a factor you supply on the Mult Input Specifications sheet. Flowsheet Connectivity for Mult Material or Heat or Work Material or Heat or Work Material Streams Inlet One material stream Outlet One material stream Heat Streams Inlet One heat stream Outlet One heat stream Work Streams Inlet One work stream Outlet One work stream 7-2 Unit Operation Models Version 10 .

This factor has to be positive for material streams. heat. Specifying Mult The stream multiplication factor. is the only input required for Mult. thus allowing a change in direction for the heat or work flow. Use the Input Diagnostics sheet to override global values for the stream and simulation message levels specified on the Setup Specifications Diagnostics sheet. Unit Operation Models Version 10 7-3 . or work) as the inlet stream. This model has no dynamic features. specified on the Input Specifications sheet. The flow rate of each outlet stream is equal to the flow rate of the inlet stream multiplied by the factor as specified in the steady-state simulation. For material stream multipliers the pressure of each outlet stream is equal to the pressure of the inlet stream.Chapter 7 The outlet stream must be the same type (material. You can specify either a positive or negative factor for heat or work streams.

Dupl does not maintain heat or material balances. heat. It is useful for simultaneously processing a stream in different types of units. Select the Heat (Q) and Work (W) Dupl icons from the Model Library for heat and work streams respectively. which is a copy of the inlet stream 7-4 Unit Operation Models Version 10 . or work) to any number of duplicate outlet streams.Manipulators Dupl Stream Duplicator Dupl copies an inlet stream (material. Flowsheet Connectivity for Dupl Material Material (any number) Flowsheet for Duplicating Material Streams Material Streams Inlet One material stream Outlet At least one material stream. which is a copy of the inlet stream Heat Heat (any number) Flowsheet for Duplicating Heat Streams Heat Streams Inlet One heat stream Outlet At least one heat stream.

For material stream duplicators the pressure of each outlet stream is equal to the pressure of the inlet stream. Unit Operation Models Version 10 7-5 . Use the Input Diagnostics sheet to override global values for the stream and simulation message levels specified on the Setup Specifications Diagnostics sheet. which is a copy of the inlet stream Specifying Dupl Dupl requires no input parameters.Chapter 7 Work Work (any number) Flowsheet for Duplicating Work Streams Work Streams Inlet One work stream Outlet At least one work stream. The flow rate of each outlet stream is equal to the flow rate of the inlet stream. This model has no dynamic features.

You can use ClChng to add or delete empty solid substreams between flowsheet sections. ClChng does not represent a real unit operation. It copies substreams from the inlet stream to the corresponding substreams of the outlet stream. Flowsheet Connectivity for ClChng Feed Product Material Streams Inlet One material feed stream Outlet One material product stream Specifying ClChng ClChng does not require input. y y y y 7-6 Unit Operation Models Version 10 . If a substream is In the outlet but not in the inlet In the inlet but not in the outlet Then ClChng Initializes the substream to zero flow Drops the substream ClChng does not maintain mass and energy balances if any dropped substream contains material flow or heat/work information.Manipulators ClChng Stream Class Changer ClChng changes the stream class between blocks and flowsheet sections.

gas-solid separators. The models are: Model Crystallizer Crusher Screen FabFl Cyclone VScrub ESP HyCyc CFuge Filter SWash Description Crystallizer Solids crusher Solids separator Fabric filter Cyclone separator Venturi scrubber Electrostatic precipitator Hydrocyclone Centrifuge filter Rotary vacuum filter Single-stage solids washer Counter-current decanter Purpose Produces crystals from solution based on solubility Breaks solid particles to reduce particle size Separates solid particles based on particle size Separates solids from gas using fabric filter baghouses Separates solids from gas using gas vortex in a cyclone Separates solids from gas by direct contact with an atomized liquid Separates solids from gas using an electric charge between two plates Separates solids from liquid using liquid vortex in a hydrocyclone Separates solids from liquid using a rotating basket Separates solids from liquid using a continuous rotary vacuum filter Models recovery of dissolved components from an entrained liquid of a solids stream using a washing liquid Models multi-stage recovery of dissolved components from an entrained liquid of a solids stream using a washing liquid Use For Mixed suspension. solid crushers and separators. mixed product removal (MSMPR) crystallizer Wet and dry crushers. primary and secondary crushers Upper and lower dry and wet screens Rating and sizing baghouses Rating and sizing cyclones Rating and sizing venturi scrubbers Rating and sizing dry electrostatic precipitators Rating or sizing hydrocyclones Rating or sizing centrifuges Rating or sizing rotary vacuum filters Single -stage solids washer CCD Multi-stage solids washers Unit Operation Models Version 10 8-1 . liquid-solid separators. and solids washers.Chapter 8 8 Solids This chapter describes the unit operation models for solids processing such as crystallizers.

CFuge. VScrub. ESP HyCyc. Cyclone. Filter SWash. Screen FabFl.Solids This chapter is organized into the following sections: Section Crystallizer Crushers and Screens Gas-Solid Separators Liquid-Solid Separators Solids Washers Models Crystallizer Crusher. CCD 8-2 Unit Operation Models Version 10 .

filter. Unit Operation Models Version 10 8-3 . mixed product removal (MSMPR) crystallizer. You can pass this stream through a hydrocyclone. Crystallizer can have an outlet vapor stream. If you select Calculate PSD from Growth Kinetics or UserSpecified Values on the PSD PSD sheet. so the mother liquor in the product magma is saturated. The product stream from Crystallizer contains liquids and solids.Chapter 8 Crystallizer Mixed Suspension Mixed Product Removal Crystallizer Crystallizer models a mixed suspension. Flowsheet Connectivity for Crystallizer Vapor (optional) Material (any number) Liquid and Solid Heat (optional) Heat (optional) Material Streams Inlet At least one material stream One optional vapor stream Outlet One material stream for liquid and solid The outlet material stream should normally have at least one solid substream for the crystals formed. It performs mass and energy balance calculations and optionally determines the crystal size distribution. The feed to Crystallizer mixes with recirculated magma and passes through a heat exchanger before it enters the crystallizer. or other fluid-solid separator to separate the phases. each substream must have a particle size distribution (PSD) attribute. Crystallizer assumes that the product magma leaves the crystallizer in equilibrium.

crystal product flow rate Pressure. crystal product flow rate 8-4 Unit Operation Models Version 10 . vapor flow rate Temperature. Crystallizer uses the sum of the inlet heat streams as a duty specification.Solids If electrolyte salts are formed based on electrolyte chemistry calculations. crystal product flow rate. a solid substream is not required when you select Copy from Inlet Stream on the PSD PSD sheet. vapor flow rate Pressure. crystal product flow rate. heat duty. vapor flow rate Pressure. Specifying Crystallizer Crystallizer calculates crystal product flow rate and/or vapor flow. based on solubility data you supply. vapor flow rate Temperature. vapor flow rate Temperature. The net heat duty is the sum of the inlet heat streams minus the actual (calculated) heat duty. You must specify two of the following: • Crystallizer temperature • Pressure or pressure drop • Heat duty for the heat exchanger • Crystal product flow rate • Vapor flow If you specify Temperature and Pressure Pressure and Heat Duty Temperature and Heat Duty Pressure and Crystal Product Flow Rate Temperature and Crystal Product Flow Rate Pressure and Vapor Flow Rate Temperature and Vapor Flow Rate Crystallizer calculates Heat duty. Otherwise. heat duty. heat duty. Or you can specify the chemistry for electrolyte systems instead of specifying solubility data. vapor products will be placed in the liquid/solid product stream. Heat Streams Inlet Any number of optional inlet heat streams Outlet One optional outlet heat stream If you give only one specification on the Setup Specifications sheet (temperature or pressure). heat duty. crystal product flow rate. If you do not use the vapor outlet s