Aspen+ Essential Workshop 2010-03-08

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WonSeok Lee
AspenTech Korea, Business Consultant
Aspen+ Getting Started - Essential
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Flowsheet Simulation
 What is flowsheet simulation?
– Use of a computer program to quantitatively model the
characteristic equations of a chemical process
 Uses underlying physical relationships
– Mass and energy balance
– Equilibrium relationships
– Rate correlations (reaction and mass/heat transfer)
 Predicts
– Stream flowrates, compositions, and properties
– Operating conditions
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Advantages of Simulation
 Reduces plant design time
– Allows designer to quickly test various plant configurations
 Helps improve current process
– Answers “what if” questions
– Determines optimal process conditions within given constraints
– Assists in locating the constraining parts of a process
(debottlenecking)
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General Simulation Problem
 What is the composition of stream PRODUCT?
 To solve this problem, we need:
– Material balances
– Energy balances
REACTOR
FEED
RECYCLE
REAC-OUT
COOL
COOL-OUT
SEP
PRODUCT
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Good Flowsheeting Practice
 Build large flowsheets a few blocks at a time
– This facilitates troubleshooting if errors occur
 Not necessarily a one-to-one correspondence between
pieces of equipment in the plant and Aspen Plus blocks
 Ensure flowsheet inputs are reasonable
 Check that results are consistent and realistic
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The User Interface
Run ID
Tool Bars
Title Bar
Menu Bar
Select
Mode
Button
Model
Library
Model
Library
Tabs
Process
Flow
Diagram
Next Button
Status Area Help Line
Resize
Window
Buttons
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Basic Input
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Useful Options
 GUI
– Window->Workbook
mode
 Automatic Naming of
Streams and Blocks
– Tools->Options-
>Flowsheet
 Result in Flowsheet
– Tools->Options->Results
View
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Useful Options
 Save options
– Tools->Options->General
– Recommend *.BKP
File Type Extension Format Description
Document *.apw Binary File containing simulation input, results and
intermediate convergence information
Backup *.bkp ASCII Archive file containing simulation input and
results
Compound *.apwz Binary Compressed file which contains the model (the
BKP or APW file) and external files referenced by
the model. You can add additional files such as
supporting documentation to the APWZ file.
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When finished, save as BENZENE FLOWSHEET.BKP
Benzene Flowsheet Definition Workshop
 Objective: Create a graphical flowsheet
– Start with the General with English Units template
– Choose the appropriate icons for the blocks
FL1
COOLER
FEED COOL
VAP1
LIQ1
FL2
VAP2
LIQ2
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Data Browser
Menu
Tree
Previous
Sheet
Next
Sheet
Status
Area
Parent
Button Units
Go Back
Go
Forward
Comments
Next
Description
Area
Status View
List
Resource
Link Tool
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Basic Input
 The minimum required inputs to run a simulation are:
– Setup
– Components
– Properties
– Streams
– Blocks
 Enter data on the input forms in the above order by clicking
the Next button
 Or, these input folders can be located quickly using the Data
menu or the Data Browser toolbar buttons
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Setup
 Most of the commonly used Setup information is entered on
the Setup Specifications Global sheet
– Flowsheet title to be used on reports
– Run type
– Input and output units
– Valid phases: vapor-liquid (default) or vapor-liquid-liquid
– Ambient pressure
 Stream report options are located on the Setup | Report
Options | Stream sheet
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Components
 Pure component databanks contain parameters such as molecular
weight, critical properties, etc.; the databank search order is
specified on the Databanks sheet
 The Find button can be used to search for components
 The Electrolyte Wizard can be used to set up an electrolyte
simulation
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NIST Databank
 The NISTV71 database contains
a single databank called NIST-
TRC
– Available from Aspen Plus 2006
only
– Includes approximately 15,000
compounds (mostly organic)
 13,000 new components
 2,000 components already in
Aspen Properties databanks
– The database is available in the
Enterprise Database
architecture only; it is not
available in the legacy DFMS
format
NIST = US National Institute
of Standards and Technology
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Properties
 Property methods are a collection of models and methods
used to describe pure component and mixture behavior
 Choosing the correct physical properties is critical for
obtaining reliable simulation results
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Streams
 Use Stream | Input forms to
specify feed stream
conditions, including two of
the following:
– Temperature
– Pressure
– Vapor Fraction
 Plus, for stream composition
either:
– Total stream flow and
component fractions
– Individual component flows
 Specifications for streams
that are not feeds to the
flowsheet are used as
estimates
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Streams
 Stdvol
– Standard liquid volume (1 atm and 60 F)
 Vol
– Ref. Temperature
 Mole
– Standard vapor volume (Ideal gas)
– 14.696 psia & 60 F
– 1 atm & 0 C
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Blocks
 Each Block | Input or Block
| Setup form specifies
operating conditions and
equipment specifications
for the unit operation model
 Some unit operation models
require additional
specification forms
 All unit operation models
have optional information
forms (e.g., Block Options
form)
Block
T
in
P
in
F
in
X
in
T
out
P
out
F
out
X
out
e.g. Heater block needs both T
out
and
P
out
operating specs
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Starting the Run
 Select Control Panel from the View menu or press the Next
button to be prompted
– Execute the simulation when all required forms are complete.
Run Start or continue calculations
Step Step through the flowsheet one block at a time
Stop Pause simulation calculations
Reinitialize Purge simulation results
Results Check simulation results
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Cumene Production Demo
Q = 0 Btu/hr
Pdrop = 0 psi
C
6
H
6
+ C
3
H
6
 C
9
H
12
Benzene Propylene Cumene (Isopropylbenzene)
90% Conversion of Propylene
T = 130°F
Pdrop = 0.1 psi
P = 1 atm
Q = 0 Btu/hr
Benzene: 40 lbmol/hr
Propylene: 40 lbmol/hr
T = 220°F
P = 36 psia
Use the RK-SOAVE Property Method
Filename: CUMENE.BKP
REACTOR
FEED
RECYCLE
REAC-OUT
COOL
COOL-OUT
SEP
PRODUCT
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Reviewing Results
 Control Panel Messages
– Contains any generated errors or warnings
– Block Results
– Convergence
 Steam Results
 Custom Stream Results
 Block Summary Grid
 Block Results
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Stream Results
 Contains stream conditions and compositions
 Fraction basis in stream result
– Data browser->Setup->Report options->Stream
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Custom Stream Results
 This feature makes it much easier to customize
the stream report format
 With Custom Stream Summary Views you can:
– Select a list of streams to display
– Select the properties to be displayed
– Select the units of measure and numerical formats
– Specify calculation options for each property
– Eliminate or change the labels used in the table
 Custom stream summary views can be exported
and imported as .APCSV files
 You can use any number of custom views within
the same simulation
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When finished, save as
filename: BENZENE.BKP
Benzene Flowsheet Conditions Workshop (1)
 Objective: Add the process and feed stream
conditions to a flowsheet. Start with the Benzene
Flowsheet (BENZENE FLOWSHEET.BKP).
Use the PENG-ROB Property Method
Feed
T = 1000°F
P = 550 psia
Hydrogen: 405 lbmol/hr
Methane: 95 lbmol/hr
Benzene: 95 lbmol/hr
Toluene: 5 lbmol/hr
T = 200°F
Pdrop = 0
T = 100°F
P = 500 psia
P = 1 atm
Q = 0
FL1
COOLER
FEED COOL
VAP1
LIQ1
FL2
VAP2
LIQ2
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Benzene Flowsheet Conditions Workshop (2)
 Results
– What is the heat duty of the COOLER block? _________
– What is the temperature in the FL2 block? _________
Note: Answers for all of the workshops are located in the
back of the course notes in Appendix C
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Benzene Flowsheet Conditions Workshop (3)
Optional
 Create a Custom Stream Summary with the following
properties:
– Temperature
– Pressure
– Total Mole Flow
– Liquid and Vapor Component Mole Flows
– Liquid and Vapor Mixture Mass Density in gm/cc
– Liquid and Vapor Mixture Viscosity in cP
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Benzene Flowsheet Conditions Workshop (4)
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RadFrac
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Rigorous Multistage Separation Using
RadFrac
 Vapor-Liquid or Vapor-Liquid-Liquid phase
simulation of:
– Ordinary distillation
– Absorption, reboiled absorption
– Stripping, reboiled stripping
– Azeotropic distillation
– Reactive distillation
 Configuration options
– Any number of feeds
– Any number of side draws
– Total liquid draw off and pumparounds
– Any number of heaters
– Any number of decanters
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RadFrac Flowsheet Connectivity
Vapor Distillate
Top-Stage or
Condenser Heat Duty
1
Liquid Distillate
Water Distillate (optional)
Feeds Reflux
Side Products (optional)
Pumparound
(optional)
Decanter
Product Return
Boil-up
Bottom Stage or
Reboiler Heat Duty
Nstage
Heat (optional)
Bottoms
Pseudo Streams (optional)
Heat (optional)
Heat (optional)
Heat (optional)
Heat (optional)
Feed (optional)
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Some RadFrac Options
 To set up an absorber with no condenser or reboiler, set
condenser and reboiler to none on the RadFrac Setup
Configuration sheet
 Either Vaporization or Murphree efficiencies on either a
stage or component basis can be specified on the RadFrac
Efficiencies form
 Tray and packed column design and rating is possible
 A second liquid phase may be modeled if the user selects
Vapor-liquid-liquid as Valid phases
 Stage Wizard for adding/removing stages from column
 Option to select different reboiler configurations
 Reboiler and condenser heat curves can be generated
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RadFrac Demonstration
Use the RKS-BM Property Method
Mole fractions
C1: 0.26
C2: 0.09
C3: 0.25
nC4: 0.17
nC5: 0.11
nC6: 0.12
COLUMN FEED
OVHD
BTMS
Kettle Reboiler
15 Stages
Reflux Ratio = 1.5 (mole)
Distillate to feed ratio = 0.6
Column pressure = 315 psia
Feed stage = 8
RadFrac specifications
Partial Condenser
T = 190°F
P = 315 psia
Flow = 1000 lbmol/hr
Filename: RADFRAC.BKP
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RadFrac Setup Configuration Sheet
 Specify:
– Number of stages
– Condenser and
reboiler configuration
– Valid phases
– Convergence
– Two column operating
specifications
 Defaults: Distillate
rate
and reflux ratio
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RadFrac Setup Streams Sheet
 Specify:
– Feed stage location
– Feed stream
convention
 Above-Stage
 On-Stage
 On-Stage-Liquid
 On-Stage-Vapor
 Decanter (for three
phase calculations
only)
– Bottom and overhead
product streams
– Side products
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Feed Convention
On-Stage
n
Above-Stage (default)
n-1
n
Vapor
Feed to
stage n
n-1
Liquid
Feed to
stage n
• Above-Stage: RadFrac introduces the material stream between adjacent stages - the liquid portion
flows to the specified stage and the vapor portion flows to the stage above
• On-Stage: RadFrac introduces both liquid and vapor portions of the feed flow to the stage specified
• On-Stage-Liquid and On-Stage-Vapor are similar to On-Stage, but no flash is ever performed with
these specifications. Feed treated as being entirely in the phase specified.
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RadFrac Setup Pressure Sheet
 Specify one of:
– Top/Bottom pressure
– Pressure profile
– Section pressure drop
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Plot Wizard
 The Plot Wizard guides you in the basic
operations for generating a plot
 In Step 2, click the
plot type you wish to
generate, then click
Next> to continue
 Click the Finish
button to generate a
plot with default
settings
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Plot Wizard Demonstration
 Use the Plot Wizard to create plots of temperature, flows,
and compositions throughout the column
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Design Specs and Vary
 Design specifications can be specified inside the RadFrac
block using DesignSpecs and Vary forms
 One or more RadFrac inputs can be manipulated to achieve
specifications on one or more RadFrac performance
parameters
 The number of specs should, in general, be equal to the
number of varies
 The DesignSpecs and Varys in a RadFrac are solved in a
“Middle loop”; if you get an error message saying that the
middle loop was not converged, check the DesignSpecs and
Varys you have entered
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Design Specs and Vary Demonstration
 Part A
– Record the molar composition of C3 in OVHD stream.
_______
– What reflux ratio is required so that this value is 0.41?
_______
 Part B
– Change the current Design Spec so that the sum of light key
(C1 + C2 + C3) molar compositions in the OVHD stream is set
to 0.99. What happens to the predicted reflux ratio given this
new specification? ___________________________________
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RadFrac Stage Wizard
 Use the Stage Wizard to change the number of stages in the
column while also updating stage numbers throughout the
specifications for the block
– Enter the New total number of stages
– Choose Above or Below and specify a Stage number - the
stages will be added or deleted according to the choices
– Click OK to update the specifications
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Thermosiphon Configuration in RadFrac
 RadFrac model supports various reboiler configurations
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Thermosiphons and columns
 Traditional method
– Reboiler appears as simple
heat input in column model
– Column and reboiler
designed and simulated
separately
– Feed composition to reboiler
estimated
– Reboiler and column models
interact through: input liquid
level, estimated feed
composition and calculated
flowrate and heat load
 Rigorous reboiler modeling
– Integrate heat exchanger
model into column model
 A Reboiler Wizard (Reboiler
sheet) can be used to
explicitly simulate the
reboiler using a heat
exchanger block (HeatX block
- see Heat Exchangers
section) or using a rigorous
Aspen Shell & Tube
Exchanger model to design,
rate, or simulate the reboiler
– Correctly models
column/reboiler interaction
– Allows modelling of tower
bottom baffle arrangement
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Specifying Efficiencies in RadFrac
 RadFrac Efficiencies Options sheet
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Sizing and Rating for Trays and Packing
 Extensive capabilities to size, rate, and perform pressure
drop calculations for trayed and packed columns
 Calculations are based on vendor-recommended procedures
when available. When vendor procedures are not available,
well-established
literature methods
are used
– Bubble Cap Trays
– One pass tray
– Tray Spacing = 2 ft
– Diameter = 10 ft
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RadFrac Convergence Problems (1)
 If a RadFrac column fails to converge, doing one or more of
the following could help:
– Check that physical property issues (choice of Property Method,
parameter availability, etc.) are properly addressed
– Ensure that column operating conditions are feasible
– If the column err/tol is decreasing fairly consistently, increase
the maximum iterations on the RadFrac Convergence Basic
sheet
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RadFrac Convergence Problems (2)
 Provide temperature estimates for some stages in the
column using the RadFrac Estimates Temperature sheet
(useful for absorbers)
 Provide composition estimates for some stages in
the column using the RadFrac Estimates Liquid Composition
and Vapor Composition sheet (useful
for highly non-ideal systems)
 Experiment with different convergence methods on the
RadFrac Setup Configuration sheet
 Note: When a column does not converge, it is usually
beneficial to Reinitialize after making changes
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Filename:
MEOH_COL.BKP
RadFrac Workshop (1)
 Objective: Set up a Methanol tower
Use the NRTL-RK Property Method
38 trays (40 stages)
Feed tray = 23 (stage 24)
Total condenser
Top stage pressure = 16.1 psia
Pressure drop per stage = 0.1 psi
Distillate flowrate = 1245 lbmol/hr
Molar reflux ratio = 1.3
63.2 wt% Water
36.8 wt% Methanol
Flow = 120000 lb/hr
Pressure 18 psia
Saturated liquid
COLUMN FEED
DIST
BTMS
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RadFrac Workshop (2)
 Part A
– Fix the simulation to eliminate any warning messages
– Record the column duties:
 Condenser Duty: _________ Reboiler Duty:
_________
– Record compositions:
 Mass fraction of methanol in the distillate: __________
 Mass fraction of water in the bottoms: __________
– Make plots of temperature, flows, and composition
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RadFrac Workshop (3)
 Part B
– Set up Design Specs within the column so that there is:
 99.95 wt% methanol in the distillate
 99.90 wt% water in the bottoms
– Vary the distillate rate (800-1700 lbmol/hr) and the reflux
ratio (0.8-2)
– Record the final values for:
 Distillate Rate: _________ Reflux
Ratio: _________
 Condenser Duty: _________ Reboiler Duty:
_________
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RadFrac Workshop (4)
 Part C
– Perform the same calculations after specifying a 65%
Murphree efficiency for each tray. Assume condenser and
reboiler have stage efficiencies of 90%. Determine how these
efficiencies affect the column duties:
 Condenser Duty: _________ Reboiler Duty:
_________
 Part D
– Perform a tray sizing calculation for the entire column, given
that Bubble Cap trays are used
 Record the predicted column diameter: _________
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Reactor Models
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Reactor Overview
Reactors
Balance Based
RYield
RStoic
Equilibrium Based
REquil
RGibbs
Kinetics Based
RCSTR
RPlug
RBatch
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Balanced Based Reactors (1)
 RYield
– Requires a mass balance only, not an atom balance
– Is used to simulate reactors in which inlets to the reactor are
not completely known but outlets are known (e.g., to simulate
a furnace)
70 lb/hr H
2
O
20 lb/hr CO
2
60 lb/hr CO
250 lb/hr tar
600 lb/hr char
1000 lb/hr Coal
IN
OUT
RYield
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Balanced Based Reactors (2)
 RStoic
– Requires both an atom and a mass balance
– Used in situations where both the equilibrium data and the
kinetics are either unknown or unimportant
– Can specify or calculate heat of reaction at a reference
temperature and pressure
2 CO + O
2

2 CO
2
C + O
2

CO
2
2 C + O
2

2 CO
C, O
2
IN
OUT
RStoic
C, O
2
, CO, CO
2
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Equilibrium Based Reactors (1)
 These reactors:
– Do not take reaction kinetics into account
– Solve similar problems, but specifications are different
– Allow individual reactions to be at a restricted equilibrium
 REquil
– Computes combined chemical and phase equilibrium by solving
reaction equilibrium equations
– Cannot do a three-phase flash
– Useful when there are many components, a few known
reactions, and when relatively few components take part in the
reactions
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Equilibrium Based Reactors (2)
 RGibbs
– Useful when reactions occurring are not known or are high in
number due to many components participating in the reactions
– A Gibbs free energy minimization is done to determine the
product composition at which the Gibbs free energy of the
products is at a minimum
– This is the only Aspen Plus block that will deal with vapor-
liquid-solid phase equilibrium
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Kinetic Reactors (1)
 Kinetic reactors are RCSTR, RPlug and RBatch
 Reaction kinetics are taken into account, and hence must be
specified
 Kinetics can be specified using one of the following built-in
models, or with a user subroutine:
– Power Law
– Langmuir-Hinshelwood-Hougen-Watson (LHHW)
 A catalyst for a reaction can have a reaction coefficient of
zero
 Reactions are specified using a Reaction ID
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Kinetic Reactors (2)
 RCSTR
– Use when reaction kinetics are known and when the reactor
contents have same properties as outlet stream
– Allows for any number of feeds, which are mixed internally
– Up to three product streams are allowed – vapor, liquid1,
liquid2 or vapor, liquid, free water
– Will calculate duty given temperature or temperature given
duty
– Can model equilibrium reactions simultaneously with rate-
based reactions
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Kinetic Reactors (3)
 RPlug
– Handles only rate-based reactions
– A cooling stream is allowed
– You must provide reactor length and diameter
 RBatch
– Handles rate-based kinetics reactions only
– Any number of continuous or delayed feeds are allowed
– Process duration can be specified using stop criteria, cycle time,
and result time
– Holding tanks are used to interface with steady-state streams
of Aspen Plus
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Using a Reaction ID (1)
 Reaction IDs are setup as objects, separate from the reactor,
and then referenced within the reactor(s)
 A single Reaction ID can be referenced in any number of
kinetic reactors (RCSTR, RPlug and RBatch)
 Multiple reaction sets can be referenced in the reactor
models
 Each Reaction ID can have multiple and/or competing
reactions
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Using a Reaction ID (2)
 To set up a Reaction ID, go to the Reactions, Reactions
Object Manager
– Click on New to create a new Reaction ID
– Enter ID name and select the reaction
type from the drop-down box
– Enter appropriate reaction data in the
forms
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Example of a Power Law Reaction ID (1)
i
I
Reaction
Rate
Kinetic
Factor
[Component
i
]
Exponent
i
= ×
• The general Power Law kinetic reaction rate is:
− [Component
i
] : concentration of component i
− Exponent
i
: kinetic exponent of component i
• Within a Reaction ID you need to specify:
− Stoichiometry sheet: stoichiometric coefficient and kinetic
exponent for each component i
− Kinetic sheet: kinetic factor data
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Example of a Power Law Reaction ID (2)
 For a reversible kinetic reaction, both the forward and
reverse reactions have to be specified separately
Example:
D C B A
k
k
2 3 2
2
1
+
÷ ÷ ÷
÷÷ ÷
+
D C B A
k
2 3 2
1
+ ÷÷ ÷ +
B A D C
k
3 2 2
2
+ ÷÷ ÷ +
− k1 : Kinetic factor for forward reaction
− k2 : Kinetic factor for reverse reaction
Forward
reaction
Reverse
reaction
Assuming 2
nd
order in A
Assuming 1
nd
order in C and D
(overall 2
nd
order)
© 2010 Aspen Technology, Inc. All rights reserved | 66
Example of a Power Law Reaction ID (3) –
Stoichiometry sheet
• Stoichiometry coefficients quantitatively relate the amount
of reactants and products in a balanced chemical reaction
− By convention - negative for reactants and positive for products
Forward reaction coefficients: A: B: C: D:
Reverse reaction coefficients: A: B: C: D:
Forward reaction exponents: A: B: C: D:
Reverse reaction exponents: A: B: C: D:
• Kinetic exponents show how the concentration of each
component affects the rate of reaction
− Typically obtained from experimental data
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Example of a Power Law Reaction ID (4) –
Stoichiometry sheet
Coefficients
Forward reaction: A: -2 B: -3 C: 1 D: 2
Reverse reaction: A: 2 B: 3 C: -1 D: -2
Exponents
Forward reaction: A: 2 B: 0 C: 0 D: 0
Reverse reaction: A: 0 B: 0 C: 1 D: 1
Forward reaction
Reverse reaction
© 2010 Aspen Technology, Inc. All rights reserved | 68
Example of a Power Law Reaction ID (5) -
Kinetic sheet
 If reference temperature, T0, is specified, Kinetic Factor is
expressed as:
Kinetic
Factor
=
|
|
.
|

\
|

÷ ÷
|
|
.
|

\
|
0 0
1 1
R
E
exp
T T T
T
k
n
− k : Pre-exponential factor
− n : Temperature exponent
− E : Activation energy
− T
0
: Reference temperature
Kinetic
Factor
=
|
.
|

\
|
÷
RT
E
exp
n
kT
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Example of a Power Law Reaction ID (6) -
Kinetic sheet
© 2010 Aspen Technology, Inc. All rights reserved | 70
Heats of Reaction
 Heats of reaction need not be provided for reactions
 Heats of reaction are typically calculated as the difference
between inlet and outlet enthalpies for the reactor (see
Appendix A)
 If you have a heat of reaction value that does not match the
value calculated by Aspen Plus, you can adjust the heats of
formation (DHFORM) of one or more components to make
the heats of reaction match
 Heats of reaction can also be calculated or specified at a
reference temperature and pressure in an RStoic reactor
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Reactor Workshop (1)
 Objective: Compare the use of different reactor types to
model a reaction
Use the NRTL-HOC
property method
Temp = 70°C
Pres = 1 atm
Feed:
Water: 8.892 kmol/hr
Ethanol: 186.59 kmol/hr
Acetic Acid: 192.6 kmol/hr
Length = 2 m
Diameter = 0.3 m
Volume = 0.14 m
3
70% conversion
of ethanol
RSTOIC
F-STOIC
P-STOIC
RGIBBS
F-GIBBS P-GIBBS
RPLUG
F-PLUG P-PLUG
DUPL
FEED
F-CSTR
RCSTR
P-CSTR
© 2010 Aspen Technology, Inc. All rights reserved | 72
Reactor Workshop (2)
 Reactor Conditions: Temperature = 70°C, Pressure = 1 atm
 Stoichiometry: Ethanol + Acetic Acid ÷ Ethyl Acetate +
Water
 Kinetic Parameters:
– Reactions are first order with respect to each of the reactants
in the reaction (second order overall)
– Forward Reaction: k = 1.9 x 108, E = 5.95 x 107 J/kmol
– Reverse Reaction: k = 5.0 x 107, E = 5.95 x 107 J/kmol
– Reactions occur in the liquid phase
– Composition basis is Molarity
 Hint: Check that each reactor is considering both Vapor and
Liquid as Valid phases
Filename: REACTORS.BKP
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Reactor Workshop (3)
 Results
RStoic RGibbs RPlug RCSTR
Amount of Ethyl Acetate
produced (kmol/hr)
Mass fraction Ethyl
Acetate in product stream
Heat duty (kcal/hr)
© 2010 Aspen Technology, Inc. All rights reserved © 2010 Aspen Technology, Inc. All rights reserved
Physical Properties
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Case Study – Acetone Recovery
 Correct choice of physical property models and
accurate physical property parameters are
essential for obtaining accurate simulation results
Specification:
99.5 mole %
acetone
recovery
COLUMN FEED
OVHD
BTMS
Ideal
Approach
Equation of
State
Approach
Activity
Coefficient
Model
Predicted number of
stages required
11 7 42
Approximate cost ($) 650,000 490,000 1,110,000
© 2010 Aspen Technology, Inc. All rights reserved | 76
How to Establish Physical Properties
Choose a Property Method
Check Parameters/Obtain
Additional Parameters
Confirm Results
Create the Flowsheet
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Definition of Terms
 Property Method
– Set of property models and methods used to calculate the
properties required for a simulation
 Property
– Calculated physical property value, such as mixture enthalpy
 Property Model
– Equation or equations used to calculate a physical property
 Property Parameter
– Constant used in a property model
 Property Set (Prop-Set)
– A method of accessing properties so that they can be used or
tabulated elsewhere
© 2010 Aspen Technology, Inc. All rights reserved | 78
Physical Property Models
 Approaches to representing physical properties of
components
 Choice of model types depends on degree of
non-ideal behavior and operating conditions
Physical Property Models
Ideal Equation of
State (EOS)
Models
Activity
Coefficient
Models
Special
Models
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Ideal vs. Non-Ideal Behavior
 What do we mean by ideal behavior?
– Ideal Gas law and Raoult’s law
 Which systems behave as ideal?
– Non-polar components of similar size and shape
 What controls degree of non-ideality?
– Molecular interactions,
e.g., Polarity, size and shape of the molecules
 How can we study the degree of
non-ideality of a system?
– Property plots (e.g., TXY & XY)
x
y
© 2010 Aspen Technology, Inc. All rights reserved | 80
Comparison of EOS and Activity Models
Equation of State Models Activity Coefficient Models
Good for vapor phase modeling
and liquids of low polarity
Good for liquid phase modeling only
Limited in ability to represent
non-ideal liquids
Can represent highly non-ideal
liquids
Fewer binary parameters required Many binary parameters required
Parameters extrapolated
reasonably with temperature
Binary parameters are highly
temperature dependent
Consistent in critical region Inconsistent in critical region
Examples:
− PENG-ROB
− RK-SOAVE
Examples:
− NRTL
− UNIFAC
− UNIQUAC
− WILSON
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Henry's Law
 Henry's Law is used to determine the amount of a
supercritical component or light gas in the liquid phase
– It is only used with Ideal and Activity Coefficient models
 Declare any supercritical components or light gases (CO2,
N2, etc.) as Henry's components on the Components Henry
Comps Selection sheet
 Then, select the Henry's components ID from the Henry
Components dropdown list on the Properties Specifications
Global sheet
© 2010 Aspen Technology, Inc. All rights reserved | 82
References:
Aspen Plus User Guide, Chapter 7, Physical Property
Methods, gives similar, more detailed guidelines for
choosing a property Method.
Choosing a Property Method – Review
Use activity
coefficient model
with Henry’s Law
Use activity
coefficient
model
Do you have any polar
components in your system?
N Y
Are the operating
conditions near the critical
region of the mixture?
Use EOS Model
N
Y
N Y
Do you have light gases or
supercritical components
in your system?
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Property Method Selection Assistant
© 2010 Aspen Technology, Inc. All rights reserved | 84
Choosing a Property Method – Example
 Choose an appropriate Property Method for the following
systems of components at ambient conditions:
System Model Type Property Method
Propane, Ethane, Butane Equation of State RK-SOAVE, PENG-ROB
Benzene, Water Activity Coefficient NRTL-RK, UNIQUAC
Acetone, Water Activity Coefficient NRTL-RK, WILSON
System Property Method
Ethanol, Water
Benzene, Toluene
Acetone, Water, Carbon Dioxide
Water, Cyclohexane
Ethane, Propanol
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Property Analysis Plots
 Predicting non-ideal behavior:
– When using a binary analysis to check for liquid-liquid phase
separation, choose Vapor-Liquid-Liquid as Valid phases
XY Plot showing
two Liquid phases: Ideal XY Plot:
XY Plot showing
an Azeotrope:
y-x diagram for METHANOL / PROPANOL
LIQUID MOLEFRAC METHANOL
0 0.2 0.4 0.6 0.8 1
(PRES = 14.7 PSI)
y-x diagram for ETHANOL / TOLUENE
LIQUID MOLEFRAC ETHANOL
0 0.2 0.4 0.6 0.8 1
(PRES = 14.7 PSI)
y-x diagram for TOLUENE / WATER
LIQUID MOLEFRAC TOLUENE
0 0.2 0.4 0.6 0.8 1
(PRES = 14.7 PSI)
© 2010 Aspen Technology, Inc. All rights reserved | 86
How to Establish Physical Properties –
Review
1. Choose Property Method, based on:
– Components present in simulation
– Operating conditions in simulation
– Available data or parameters for the components
2. Check Parameters
– Determine availability of parameters in the Aspen Plus
databanks, and obtain additional parameters if necessary
3. Confirm Results
– Verify choice of Property Method and physical property data
using the Property Analysis plotting tool
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Property Sets
 A property set (Prop-Set) is a way of accessing a collection,
or set, of properties as an object with a user-given name;
only the name of the property set is referenced when using
the properties in an application
 Use property sets to report thermodynamic, transport, and
other property values
 Current property set applications include:
– Design specifications, Calculator blocks, Sensitivity analysis
– Stream reports
– Physical property tables (Property Analysis)
– Tray properties (RadFrac, MultiFrac, etc.)
– Heating/cooling curves (Flash2, HeatX, etc.)
© 2010 Aspen Technology, Inc. All rights reserved | 88
Properties Included in Prop-Sets
 Available properties include:
– Thermodynamic properties of components in a mixture
– Pure component thermodynamic properties
– Transport properties
– Electrolyte properties
– Petroleum-related properties
 Properties commonly included in property sets include:
– VFRAC Molar vapor fraction of a stream
– BETA Fraction of L1 to total liquid for a mixture
– CPMX Constant pressure heat capacity for a mixture
– MUMX Viscosity for a mixture
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Specifying Property Sets
 Select properties for a property set using the Properties Prop-Sets
form
– The Search button can be used to search for a property
– The Units fields are optional;
 DataBrowser->Setup->Report Options->Stream
– Click the Property Sets button and move the Prop-Set name from the
available to selected area
© 2010 Aspen Technology, Inc. All rights reserved © 2010 Aspen Technology, Inc. All rights reserved
Cyclohexane Workshop
Won-Seok Lee
AspenTech Korea, Business
Consultant
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Process Description
 Part A: Create a flowsheet to model a cyclohexane
production process
– Cyclohexane can be produced by the hydrogenation of benzene
in the following reaction: C6H6 + 3H2  C6H12
– The benzene and hydrogen feeds are combined with recycle
hydrogen and cyclohexane before entering a fixed bed catalytic
reactor. Assume a benzene conversion of 99.8%
– The reactor effluent is cooled and the light gases separated
from the product stream. Part of the light gas stream is fed
back to the reactor as recycle hydrogen
– The liquid product stream from the separator is fed to a
distillation column to further remove any dissolved light gases
and to stabilize the end product. The remaining portion is
recycled to the reactor to aid in temperature control
© 2010 Aspen Technology, Inc. All rights reserved | 92
Use the RK-SOAVE property method
Filename: CYCLOHEXANE.BKP
Process Flowsheet
P = 25 bar
T = 50°C
Molefrac H
2
= 0.975
N
2
= 0.005
CH
4
= 0.02
Total flow = 330 kmol/hr
T = 40°C
P = 1 bar
Benzene flow = 100 kmol/hr
T = 150°C
P = 23 bar T = 200°C
Pdrop = 1 bar
Benzene conv = 0.998
T = 50°C
Pdrop = 0.5 bar
92%flow to stream H2RCY
30%flow to stream CHRCY
Specify cyclohexane mole recovery in
PRODUCT stream equal to 0.9999 by
varying Bottoms rate from 97 to 101 kmol/hr
REACT FEED-MIX
H2IN
BZIN
H2RCY
CHRCY
RXIN
RXOUT
HP-SEP
VAP
Bottoms rate = 99 kmol/hr
Theoretical Stages = 12
Reflux ratio = 1.2
Partial Condenser with
vapor distillate only
Column Pressure = 15 bar
Feed stage = 8
COLUMN
COLFD
LTENDS
PRODUCT
VFLOW
PURGE
LFLOW
LIQ
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Sensitivity Analysis
© 2010 Aspen Technology, Inc. All rights reserved | 94
Sensitivity Analysis Example
 Determine the effect of cooler outlet temperature on the
purity of the product stream
– What is the manipulated (varied) variable?
– What is the measured (sampled) variable?
Filename: CUMENE-S.BKP
» COOL outlet temperature
» Purity (mole fraction) of cumene in PRODUCT stream
REACTOR
FEED
RECYCLE
REAC-OUT
COOL
COOL-OUT
SEP
PRODUCT
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Sensitivity Analysis
 Allows user to study the effect of changes in input variables
on process outputs
 Located under Data Browser | Model Analysis Tools |
Sensitivity
 Results can be viewed by looking at the Results form in the
folder for the Sensitivity block
 Plot results to easily visualize relationships between
different variables
© 2010 Aspen Technology, Inc. All rights reserved | 96
Uses of Sensitivity Analysis
 Studying the effect of changes in input variables on process
(model) outputs
 Graphically representing the effects of input variables
 Verifying that a solution to a design specification is feasible
 Rudimentary optimization
 Studying time varying variables using a quasi-steady-state
approach
 Doing case studies
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Steps for Using Sensitivity Analysis
 Specify measured (sampled) variable(s)
– These are quantities calculated during the simulation to be used in step
4 (Define sheet)
 Specify manipulated (varied) variable(s)
– These are the flowsheet variables to be varied (Vary sheet)
 Specify range(s) for manipulated (varied) variable(s)
– Variation for manipulated variable can be specified either as
equidistant points within an interval or as a list of values for the
variable (Vary sheet)
– Tip: You can check the Disable variable box to temporarily not vary
that variable
 Specify quantities to calculate and tabulate
– Tabulated quantities can be any valid Fortran expression containing
variables defined in step 1 (Tabulate sheet)
– Tip: Click the Fill Variables button to automatically tabulate all of the
define variables
© 2010 Aspen Technology, Inc. All rights reserved | 98
Plotting
 Select the column containing the X-axis variable and then
select X-Axis Variable from the Plot menu
 Select the column containing the Y-axis variable and then
select Y-Axis Variable from the Plot menu
 (Optional) Select the column containing the parametric
variable and then select Parametric Variable from the Plot
menu
 Select Display Plot from the Plot menu
 Note: To select a column, click the heading of the
column with the left mouse button
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Workshop : Sensitivity Analysis
 Part B: Add a sensitivity analysis to study the effect of the
recycle flowrate on the reactor duty
– Plot the variation of REACT duty as the recycle split fraction in
LFLOW is varied from 0.1 to 0.4
– In addition to the split fraction, vary the conversion of benzene
in the reactor from 0.9 to 1.0. Tabulate the reactor duty and
construct a parametric plot showing the dependence of the
reactor duty on recycle split fraction and the conversion of
benzene
– Note: Both of these studies should be set up within the same
sensitivity analysis block
© 2010 Aspen Technology, Inc. All rights reserved © 2010 Aspen Technology, Inc. All rights reserved
Design Specifications
Aspen Plus
®
: Process Modeling
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Design Specification Example
 Determine the cooler outlet temperature to achieve a
cumene product purity of 98 mole percent:
– What is the manipulated (varied) variable?
– What is the measured (sampled) variable?
– What is the specification (target) to be achieved?
Filename: CUMENE-D.BKP
» COOL outlet temperature
» Mole fraction of cumene in PRODUCT stream
» Mole fraction of cumene in PRODUCT stream = 0.98
REACTOR
FEED
RECYCLE
REAC-OUT
COOL
COOL-OUT
SEP
PRODUCT
© 2010 Aspen Technology, Inc. All rights reserved | 102
Steps for Using Design Specifications (1)
 Identify measured (sampled) variables
– These are flowsheet quantities, usually calculated, to be
included in the objective function (Define sheet)
 Specify objective function (Spec) and goal (Target)
– This is the equation that the specification attempts to satisfy
(Spec sheet)
 Set tolerance for objective function
– The specification is converged when the objective function
equation is satisfied to within this tolerance (Spec sheet)
 Specify manipulated (varied) variable
– This is the variable whose value changes in order to satisfy the
objective function equation (Vary sheet)
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Steps for Using Design Specifications (2)
 Specify range of manipulated (varied) variable
– These are the lower and upper bounds of the interval within
which Aspen Plus will vary the manipulated variable (Vary
sheet)
 By default, the units of the variable(s) used in the objective
function (step 2) and those for the manipulated variable
(step 5) are the units for that variable type as specified by
the Units Set declared for the design specification; you can
change the units using the Object-level Units dropdown list
in the Data Browser toolbar; however, if you do, it changes
the units for all sheets in this form; for example, if you
change the units to MetCBar in the Specs sheet, the units in
the Vary form are also MetCBar
© 2010 Aspen Technology, Inc. All rights reserved | 104
Workshop : Design Specification
 Part C: Hide the sensitivity analysis and use a design
specification to fix the heat load on the reactor by varying
the recycle flowrate
 The cooling system around the reactor can handle a
maximum operating load of 4.7 MMkcal/hr. Determine the
amount of cyclohexane recycle necessary to keep the
cooling load on the reactor to this amount: ________
kmol/hr
 Note: The heat convention used in Aspen Plus is that
heat input to a block is positive, and heat removed from a
block is negative
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Heat Exchangers
© 2010 Aspen Technology, Inc. All rights reserved | 106
Heater Model
 The Heater block mixes multiple inlet streams to produce a
single outlet stream at a specified thermodynamic state
 A Heater can be used to represent:
– Heaters
– Coolers
– Valves
– Pumps (when work-related results are not needed)
– Compressors (when work-related results are not needed)
 Heater also can be used to set the thermodynamic
conditions of a stream
 Vapor fraction of 1 means dew point condition, 0 means
bubble point
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Heat Streams
 One outlet heat stream can be specified for the net heat
load from a Heater
– The net heat load is the sum of the inlet heat streams minus
the actual (calculated) heat duty
 Heat streams flow in the direction that information (not heat)
flows
 When a heat stream is an inlet to a block, you only need
one thermodynamic specification (temperature or pressure),
Heater uses the sum of the inlet heat streams as a duty
specification
© 2010 Aspen Technology, Inc. All rights reserved | 108
HeatX Model
 HeatX can perform shortcut, detailed rating and simulation
calculations, and rigorous design calculations
 Shortcut rating calculations (simple heat and material
balance calculations) can be performed if exchanger
geometry is unknown or unimportant
 For detailed and rigorous heat transfer and pressure drop
calculations, the heat exchanger geometry must be
specified
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HeatX Model
 You can access Aspen rigorous heat exchanger modeling
software directly within the HeatX block
– Aspen Shell & Tube Exchanger
– Aspen Air Cooled Exchanger
– Aspen Plate Exchanger
– Hetran
– Aerotran
 Information related to the heat exchanger configuration and
geometry is entered through the individual program on the
EDR Browser form
© 2010 Aspen Technology, Inc. All rights reserved | 110
HeatX Run Type
Shortcut Detail / Shell & Tube
Input Output Input Output
Design Duty or T
out
UA Duty or T
out
Geo
*
Rating
Duty or T
out
and UA
Over Design% Duty and Geo Over Design%
Simulation UA T
out
and Duty Geo T
out
and Duty
Max. fouling N/A N/A
T
out
: Stream condition in one of outlet streams. e.g. vapor fraction or temp
Geo : HX geometry
* : Available in only Shell & Tube (TASC+)
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HeatX Key Options
 Options
– Valid phases
 Block Options
– Property method
– Water Solubility
 Setup->LMTD
– Interval
© 2010 Aspen Technology, Inc. All rights reserved | 112
HeatX versus Heater
 Use HeatX when both sides are important
 Use Heater when one side (e.g., the utility) is not important
 Use two Heaters (coupled by a heat stream, Calculator
block, or Design Spec) to avoid flowsheet complexity
created by HeatX
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HeatX Workshop (1)
 Objective: Compare the simulation of a heat exchanger that
uses water to cool a hydrocarbon mixture using three
methods: two Heaters connected with a Heat stream, a
Heater using a Utility, and a detailed HeatX
Filename: HEATX.BKP
DHEATX
DHOT-IN
DCLD-IN DCLD-OUT
HEAT-C
HCLD-IN
Q-TRANS
HCLD-OUT
HEAT-H
HHOT-IN HHOT-OUT
DHOT-OUT
HEAT-U
UHOT-IN UHOT-OUT
Tip: In HeatX, make sure that you connect
cold streams to cold ports
and hot streams to hot ports.
© 2010 Aspen Technology, Inc. All rights reserved | 114
HeatX Workshop (2)
 Streams
– Hydrocarbon stream: 200°C, 4 bar, 10000 kg/hr
 50 wt% benzene, 20% styrene, 20% ethylbenzene, 10 wt% water
– Cooling water: 20°C, 10 bar, 60000 kg/hr water
– Choose the appropriate Property Method for both the hot and
cold sides of this system
 Unit Operations
– For the Heater blocks:
 Hydrocarbon stream exit has a vapor fraction of 0
 No pressure drop in either stream
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HeatX Workshop (3)
 For the HeatX block:
– First run as a Shortcut model with:
 Hydrocarbon stream exit has a vapor fraction of 0
 No pressure drop in either stream
– For the Detailed HeatX block:
1. Enter Geometry:
 Shell diameter 1 m, 1 tube pass
 300 bare tubes, 3 m length, pitch 31 mm, 21 mm ID, 25 mm OD
 All nozzles 100 mm
 5 baffles, 15% cut
2. Run in Rating mode where the hydrocarbons in the shell leave with
a vapor fraction of 0
Required area ______ m
2
Actual area ______ m
2
Over/under-surfaced ______ % Hot outlet stream T
______ °C
3. Change the Calculation Type to Simulation and re-run
Hot outlet stream T ______ °C
4. Create heat curves containing all info required for thermal design
© 2010 Aspen Technology, Inc. All rights reserved | 116
HeatX Workshop (4)
 Utility
– Cooling water
 Inlet Conditions: 20°C, 10 bar
 Outlet Conditions: 35°C, 10 bar
 Price: 0.0001 $ / kg
– How much Cooling Water is needed?
 Bonus
– Add a design specifications to determine how much cooling
water is needed in stream HCLD-IN for HCLD-OUT to have a
temperature of 35°C
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Cyclohexane HeatX Flowsheet
Filename: HEATX-CYCLOHEXANE.BKP
H2IN
BZIN
H2RCY
CHRCY
RXIN
RXOUT
VAP
COLFD
LTENDS
PRODUCT
STG2
PURGE
COOLWAT
CNDSATEB
WARMWAT
FEED-MIX
REACT
HP-SEP
COLUMN
VFLOW
LFLOW
COND
Optional Workshop
© 2010 Aspen Technology, Inc. All rights reserved | 118
Cyclohexane HeatX Workshop (1)
Part A: Using a Utility in the Condenser
1. Create a new utility for cooling water; use the following
state variables to specify the heat release of the water:
Inlet Outlet
Temperature (C) 5.0 20.0
Pressure (bar) 3.0 2.9
Purchase price 0.0005 $/kg
2. Associate the cooling water utility with the RADFRAC
Block’s (“COLUMN”) condenser; Hint: This is done on the
COLUMN | SETUP form’s Condenser sheet
Aspen+ Essential Workshop 2010-03-08
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© 2010 Aspen Technology, Inc. All rights reserved | 119
Cyclohexane HeatX Workshop (2)
 Part B: Rigorous Rating of the Condenser
 Add a new HEATX block called “COND” to the flowsheet
 For the hot feed stream to the COND block, connect the
source of the feed stream to the PSEUDO stream connection
port on the right side of the COLUMN block; you will have to
later navigate to the COLUMN | REPORT form’s PSEUDO
sheet and define the stream as the vapor on stage 2
 Add a new cold feed stream to the COND block and use the
calculated cooling water flowrate and conditions from part A
 Change the COND block’s calculation TYPE to “RATING” and
change the exchanger specification field to “EXCHANGER
DUTY”; for the value field, use the calculated condenser
duty from the COLUMN block
© 2010 Aspen Technology, Inc. All rights reserved | 120
Cyclohexane HeatX Workshop (2)
 Specify the hot fluid on the SHELL side
 Use the TEMA data sheet on the next page to enter the
following information:
 Shell inside diameter (see the size item in row 6 and the
shell OD in row 42 of the TEMA sheet), number of tubes,
tube OD, tube thickness, tube pitch, tube pattern, baffle
type, baffle cut, center-to-center (c/c) baffle spacing, and
all 4 nozzle diameters
NOTE: Use 29 total baffles
Allow all other input fields to use default values

Aspen+ Essential Workshop

2010-03-08

Advantages of Simulation
 Reduces plant design time
– Allows designer to quickly test various plant configurations

 Helps improve current process
– Answers “what if” questions – Determines optimal process conditions within given constraints – Assists in locating the constraining parts of a process (debottlenecking)

© 2010 Aspen Technology, Inc. All rights reserved

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General Simulation Problem

 What is the composition of stream PRODUCT?
RECYCLE REACTOR COOL REAC-OUT COOL-OUT SEP

FEED

 To solve this problem, we need:
– Material balances – Energy balances

PRODUCT

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Aspen+ Essential Workshop

2010-03-08

Good Flowsheeting Practice
 Build large flowsheets a few blocks at a time
– This facilitates troubleshooting if errors occur

 Not necessarily a one-to-one correspondence between pieces of equipment in the plant and Aspen Plus blocks  Ensure flowsheet inputs are reasonable  Check that results are consistent and realistic

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The User Interface
Run ID Title Bar Next Button Resize Window Buttons

Menu Bar

Tool Bars

Process Flow Diagram

Model Library Tabs Select Mode Button Model Library

Help Line
© 2010 Aspen Technology, Inc. All rights reserved |

Status Area
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Aspen+ Essential Workshop 2010-03-08 Basic Input © 2010 Aspen Technology. Inc. All rights reserved | 8 AspenTech All Right Reserved 4 . All rights reserved Useful Options  GUI – Window->Workbook mode  Automatic Naming of Streams and Blocks – Tools->Options>Flowsheet  Result in Flowsheet – Tools->Options->Results View © 2010 Aspen Technology. Inc.

bkp *. © 2010 Aspen Technology. All rights reserved | 9 Benzene Flowsheet Definition Workshop  Objective: Create a graphical flowsheet – Start with the General with English Units template – Choose the appropriate icons for the blocks VAP1 COOLER FEED FL1 COOL VAP2 LIQ1 FL2 When finished.Aspen+ Essential Workshop 2010-03-08 Useful Options  Save options – Tools->Options->General – Recommend *. Inc. results and intermediate convergence information Archive file containing simulation input and results Compressed file which contains the model (the BKP or APW file) and external files referenced by the model.BKP File Type Document Backup Compound Extension *.apw *.BKP LIQ2 © 2010 Aspen Technology.apwz Format Binary ASCII Binary Description File containing simulation input. save as BENZENE FLOWSHEET. Inc. All rights reserved | 10 AspenTech All Right Reserved 5 . You can add additional files such as supporting documentation to the APWZ file.

these input folders can be located quickly using the Data menu or the Data Browser toolbar buttons © 2010 Aspen Technology. Inc. All rights reserved | 12 AspenTech All Right Reserved 6 .Aspen+ Essential Workshop 2010-03-08 Data Browser Go Back Parent Button Units Previous Comments Sheet Next View Sheet Status List Go Forward Resource Link Tool Next Menu Tree Status Area Description Area © 2010 Aspen Technology. Inc. All rights reserved | 11 Basic Input  The minimum required inputs to run a simulation are: – – – – – Setup Components Properties Streams Blocks  Enter data on the input forms in the above order by clicking the Next button  Or.

etc.Aspen+ Essential Workshop 2010-03-08 Setup  Most of the commonly used Setup information is entered on the Setup Specifications Global sheet – – – – – Flowsheet title to be used on reports Run type Input and output units Valid phases: vapor-liquid (default) or vapor-liquid-liquid Ambient pressure  Stream report options are located on the Setup | Report Options | Stream sheet © 2010 Aspen Technology. Inc. the databank search order is specified on the Databanks sheet  The Find button can be used to search for components  The Electrolyte Wizard can be used to set up an electrolyte simulation © 2010 Aspen Technology. critical properties. Inc. All rights reserved | 13 Components  Pure component databanks contain parameters such as molecular weight.. All rights reserved | 14 AspenTech All Right Reserved 7 .

000 components already in Aspen Properties databanks – The database is available in the Enterprise Database architecture only.Aspen+ Essential Workshop 2010-03-08 NIST Databank  The NISTV71 database contains a single databank called NISTTRC – Available from Aspen Plus 2006 only – Includes approximately 15. Inc. All rights reserved | 15 Properties  Property methods are a collection of models and methods used to describe pure component and mixture behavior  Choosing the correct physical properties is critical for obtaining reliable simulation results © 2010 Aspen Technology.000 compounds (mostly organic)  13. Inc.000 new components  2. it is not available in the legacy DFMS format NIST = US National Institute of Standards and Technology © 2010 Aspen Technology. All rights reserved | 16 AspenTech All Right Reserved 8 .

Temperature  Mole – Standard vapor volume (Ideal gas) – 14. including two of the following: – Temperature – Pressure – Vapor Fraction  Plus. All rights reserved | 18 AspenTech All Right Reserved 9 . Inc. All rights reserved | 17 Streams  Stdvol – Standard liquid volume (1 atm and 60 F)  Vol – Ref. Inc.696 psia & 60 F – 1 atm & 0 C © 2010 Aspen Technology. for stream composition either: – Total stream flow and component fractions – Individual component flows  Specifications for streams that are not feeds to the flowsheet are used as estimates © 2010 Aspen Technology.Aspen+ Essential Workshop 2010-03-08 Streams  Use Stream | Input forms to specify feed stream conditions.

Run Step Stop Reinitialize Results Start or continue calculations Step through the flowsheet one block at a time Pause simulation calculations Purge simulation results Check simulation results © 2010 Aspen Technology. All rights reserved | Block Tin Pin Fin Xin Tout Pout Fout Xout 19 Starting the Run  Select Control Panel from the View menu or press the Next button to be prompted – Execute the simulation when all required forms are complete. Heater block needs both Tout and Pout operating specs © 2010 Aspen Technology. Inc. Inc..Aspen+ Essential Workshop 2010-03-08 Blocks  Each Block | Input or Block | Setup form specifies operating conditions and equipment specifications for the unit operation model  Some unit operation models require additional specification forms  All unit operation models have optional information forms (e.g.g. Block Options form) e. All rights reserved | 20 AspenTech All Right Reserved 10 .

BKP © 2010 Aspen Technology. Inc.Aspen+ Essential Workshop 2010-03-08 Cumene Production Demo RECYCLE REACTOR COOL REAC-OUT COOL-OUT SEP FEED T = 220°F P = 36 psia Benzene: 40 lbmol/hr Propylene: 40 lbmol/hr Q = 0 Btu/hr Pdrop = 0 psi P = 1 atm Q = 0 Btu/hr T = 130°F Pdrop = 0. Inc. All rights reserved | 22 AspenTech All Right Reserved 11 . All rights reserved | 21 Reviewing Results  Control Panel Messages – Contains any generated errors or warnings – Block Results – Convergence  Steam Results  Custom Stream Results  Block Summary Grid  Block Results © 2010 Aspen Technology.1 psi PRODUCT C6H6 + C3H6  C9H12 Benzene Propylene Cumene (Isopropylbenzene) 90% Conversion of Propylene Use the RK-SOAVE Property Method Filename: CUMENE.

Inc.Aspen+ Essential Workshop 2010-03-08 Stream Results  Contains stream conditions and compositions  Fraction basis in stream result – Data browser->Setup->Report options->Stream © 2010 Aspen Technology.APCSV files  You can use any number of custom views within the same simulation © 2010 Aspen Technology. Inc. All rights reserved | 24 AspenTech All Right Reserved 12 . All rights reserved | 23 Custom Stream Results  This feature makes it much easier to customize the stream report format  With Custom Stream Summary Views you can: – – – – – Select a list of streams to display Select the properties to be displayed Select the units of measure and numerical formats Specify calculation options for each property Eliminate or change the labels used in the table  Custom stream summary views can be exported and imported as .

BKP 25 Benzene Flowsheet Conditions Workshop (2)  Results – What is the heat duty of the COOLER block? – What is the temperature in the FL2 block? _________ _________ Note: Answers for all of the workshops are located in the back of the course notes in Appendix C © 2010 Aspen Technology. VAP1 COOLER FL1 FEED COOL T = 100°F P = 500 psia FL2 LIQ1 VAP2 Feed T = 1000°F P = 550 psia T = 200°F Pdrop = 0 P = 1 atm Q=0 Hydrogen: 405 lbmol/hr Methane: 95 lbmol/hr Benzene: 95 lbmol/hr Toluene: 5 lbmol/hr Use the PENG-ROB Property Method © 2010 Aspen Technology. Start with the Benzene Flowsheet (BENZENE FLOWSHEET. All rights reserved | LIQ2 When finished. Inc.Aspen+ Essential Workshop 2010-03-08 Benzene Flowsheet Conditions Workshop (1)  Objective: Add the process and feed stream conditions to a flowsheet. Inc. All rights reserved | 26 AspenTech All Right Reserved 13 .BKP). save as filename: BENZENE.

All rights reserved | 28 AspenTech All Right Reserved 14 . Inc. All rights reserved | 27 Benzene Flowsheet Conditions Workshop (4) © 2010 Aspen Technology. Inc.Aspen+ Essential Workshop 2010-03-08 Benzene Flowsheet Conditions Workshop (3) Optional  Create a Custom Stream Summary with the following properties: – – – – – – Temperature Pressure Total Mole Flow Liquid and Vapor Component Mole Flows Liquid and Vapor Mixture Mass Density in gm/cc Liquid and Vapor Mixture Viscosity in cP © 2010 Aspen Technology.

reboiled stripping Azeotropic distillation Reactive distillation Any number of feeds Any number of side draws Total liquid draw off and pumparounds Any number of heaters Any number of decanters © 2010 Aspen Technology. reboiled absorption Stripping. Inc.Aspen+ Essential Workshop 2010-03-08 RadFrac © 2010 Aspen Technology. All rights reserved Rigorous Multistage Separation Using RadFrac  Vapor-Liquid or Vapor-Liquid-Liquid phase simulation of: – – – – – – – – – – Ordinary distillation Absorption. Inc. All rights reserved |  Configuration options 30 AspenTech All Right Reserved 15 .

All rights reserved | 31 Some RadFrac Options  To set up an absorber with no condenser or reboiler. Inc.Aspen+ Essential Workshop 2010-03-08 RadFrac Flowsheet Connectivity Vapor Distillate Top-Stage or Condenser Heat Duty Feeds 1 Heat (optional) Liquid Distillate Water Distillate (optional) Reflux Side Products (optional) Heat (optional) Pumparound (optional) Heat (optional) Heat (optional) Boil-up Nstage Pseudo Streams (optional) Feed (optional) Decanter Return Product Bottom Stage or Reboiler Heat Duty Heat (optional) Bottoms © 2010 Aspen Technology. Inc. set condenser and reboiler to none on the RadFrac Setup Configuration sheet  Either Vaporization or Murphree efficiencies on either a stage or component basis can be specified on the RadFrac Efficiencies form  Tray and packed column design and rating is possible  A second liquid phase may be modeled if the user selects Vapor-liquid-liquid as Valid phases  Stage Wizard for adding/removing stages from column  Option to select different reboiler configurations  Reboiler and condenser heat curves can be generated © 2010 Aspen Technology. All rights reserved | 32 AspenTech All Right Reserved 16 .

Aspen+ Essential Workshop

2010-03-08

RadFrac Demonstration

OVHD RadFrac specifications Flow = 1000 lbmol/hr T = 190°F P = 315 psia FEED Mole fractions C1: 0.26 C2: 0.09 C3: 0.25 nC4: 0.17 nC5: 0.11 nC6: 0.12 Use the RKS-BM Property Method COLUMN Partial Condenser Kettle Reboiler 15 Stages Reflux Ratio = 1.5 (mole) Distillate to feed ratio = 0.6 Column pressure = 315 psia Feed stage = 8 BTMS

Filename: RADFRAC.BKP

© 2010 Aspen Technology, Inc. All rights reserved

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RadFrac Setup Configuration Sheet
 Specify:
– Number of stages – Condenser and reboiler configuration – Valid phases – Convergence – Two column operating specifications  Defaults: Distillate rate and reflux ratio

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Aspen+ Essential Workshop

2010-03-08

RadFrac Setup Streams Sheet  Specify:
– Feed stage location – Feed stream convention  Above-Stage  On-Stage  On-Stage-Liquid  On-Stage-Vapor  Decanter (for three phase calculations only) – Bottom and overhead product streams – Side products

© 2010 Aspen Technology, Inc. All rights reserved

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Feed Convention Above-Stage (default)
n-1 Vapor Liquid n

On-Stage
n-1

Feed to stage n n Feed to stage n

• Above-Stage: RadFrac introduces the material stream between adjacent stages - the liquid portion flows to the specified stage and the vapor portion flows to the stage above • On-Stage: RadFrac introduces both liquid and vapor portions of the feed flow to the stage specified • On-Stage-Liquid and On-Stage-Vapor are similar to On-Stage, but no flash is ever performed with these specifications. Feed treated as being entirely in the phase specified.

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Aspen+ Essential Workshop

2010-03-08

RadFrac Setup Pressure Sheet
 Specify one of:
– Top/Bottom pressure – Pressure profile – Section pressure drop

© 2010 Aspen Technology, Inc. All rights reserved

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Plot Wizard
 The Plot Wizard guides you in the basic operations for generating a plot  In Step 2, click the plot type you wish to generate, then click Next> to continue  Click the Finish button to generate a plot with default settings

© 2010 Aspen Technology, Inc. All rights reserved

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check the DesignSpecs and Varys you have entered © 2010 Aspen Technology. Inc.Aspen+ Essential Workshop 2010-03-08 Plot Wizard Demonstration  Use the Plot Wizard to create plots of temperature. All rights reserved | 40 AspenTech All Right Reserved 20 . flows. in general. be equal to the number of varies  The DesignSpecs and Varys in a RadFrac are solved in a “Middle loop”. and compositions throughout the column © 2010 Aspen Technology. if you get an error message saying that the middle loop was not converged. Inc. All rights reserved | 39 Design Specs and Vary  Design specifications can be specified inside the RadFrac block using DesignSpecs and Vary forms  One or more RadFrac inputs can be manipulated to achieve specifications on one or more RadFrac performance parameters  The number of specs should.

All rights reserved | 41 RadFrac Stage Wizard  Use the Stage Wizard to change the number of stages in the column while also updating stage numbers throughout the specifications for the block – Enter the New total number of stages – Choose Above or Below and specify a Stage number .the stages will be added or deleted according to the choices – Click OK to update the specifications © 2010 Aspen Technology. All rights reserved | 42 AspenTech All Right Reserved 21 . _______ – What reflux ratio is required so that this value is 0. Inc.99. Inc.41? _______  Part B – Change the current Design Spec so that the sum of light key (C1 + C2 + C3) molar compositions in the OVHD stream is set to 0.Aspen+ Essential Workshop 2010-03-08 Design Specs and Vary Demonstration  Part A – Record the molar composition of C3 in OVHD stream. What happens to the predicted reflux ratio given this new specification? ___________________________________ © 2010 Aspen Technology.

estimated feed composition and calculated flowrate and heat load  Rigorous reboiler modeling – Integrate heat exchanger model into column model  A Reboiler Wizard (Reboiler sheet) can be used to explicitly simulate the reboiler using a heat exchanger block (HeatX block . rate. All rights reserved | 43 Thermosiphons and columns  Traditional method – Reboiler appears as simple heat input in column model – Column and reboiler designed and simulated separately – Feed composition to reboiler estimated – Reboiler and column models interact through: input liquid level. Inc.see Heat Exchangers section) or using a rigorous Aspen Shell & Tube Exchanger model to design. Inc.Aspen+ Essential Workshop 2010-03-08 Thermosiphon Configuration in RadFrac  RadFrac model supports various reboiler configurations © 2010 Aspen Technology. or simulate the reboiler – Correctly models column/reboiler interaction – Allows modelling of tower bottom baffle arrangement © 2010 Aspen Technology. All rights reserved | 44 AspenTech All Right Reserved 22 .

All rights reserved | 45 Sizing and Rating for Trays and Packing  Extensive capabilities to size. Inc. rate. well-established literature methods are used – – – – Bubble Cap Trays One pass tray Tray Spacing = 2 ft Diameter = 10 ft © 2010 Aspen Technology.Aspen+ Essential Workshop 2010-03-08 Specifying Efficiencies in RadFrac  RadFrac Efficiencies Options sheet © 2010 Aspen Technology. When vendor procedures are not available. Inc. All rights reserved | 46 AspenTech All Right Reserved 23 . and perform pressure drop calculations for trayed and packed columns  Calculations are based on vendor-recommended procedures when available.

doing one or more of the following could help: – Check that physical property issues (choice of Property Method. parameter availability. Inc. All rights reserved | 48 AspenTech All Right Reserved 24 . All rights reserved | 47 RadFrac Convergence Problems (2)  Provide temperature estimates for some stages in the column using the RadFrac Estimates Temperature sheet (useful for absorbers)  Provide composition estimates for some stages in the column using the RadFrac Estimates Liquid Composition and Vapor Composition sheet (useful for highly non-ideal systems)  Experiment with different convergence methods on the RadFrac Setup Configuration sheet  Note: When a column does not converge. increase the maximum iterations on the RadFrac Convergence Basic sheet © 2010 Aspen Technology. it is usually beneficial to Reinitialize after making changes © 2010 Aspen Technology. etc.) are properly addressed – Ensure that column operating conditions are feasible – If the column err/tol is decreasing fairly consistently. Inc.Aspen+ Essential Workshop 2010-03-08 RadFrac Convergence Problems (1)  If a RadFrac column fails to converge.

Aspen+ Essential Workshop 2010-03-08 RadFrac Workshop (1)  Objective: Set up a Methanol tower 63.1 psi Distillate flowrate = 1245 lbmol/hr Molar reflux ratio = 1.3 BTMS Use the NRTL-RK Property Method Filename: MEOH_COL. All rights reserved 49 RadFrac Workshop (2)  Part A – Fix the simulation to eliminate any warning messages – Record the column duties:  Condenser Duty: _________ _________ – Record compositions: Reboiler Duty:  Mass fraction of methanol in the distillate: __________  Mass fraction of water in the bottoms: __________ – Make plots of temperature.1 psia Pressure drop per stage = 0. flows. Inc. and composition © 2010 Aspen Technology. Inc.2 wt% Water 36.8 wt% Methanol Flow = 120000 lb/hr Pressure 18 psia Saturated liquid FEED COLUMN DIST 38 trays (40 stages) Feed tray = 23 (stage 24) Total condenser Top stage pressure = 16.BKP | © 2010 Aspen Technology. All rights reserved | 50 AspenTech All Right Reserved 25 .

Assume condenser and reboiler have stage efficiencies of 90%. All rights reserved | 51 RadFrac Workshop (4)  Part C – Perform the same calculations after specifying a 65% Murphree efficiency for each tray. All rights reserved | 52 AspenTech All Right Reserved 26 .Aspen+ Essential Workshop 2010-03-08 RadFrac Workshop (3)  Part B – Set up Design Specs within the column so that there is:  99. given that Bubble Cap trays are used  Record the predicted column diameter: _________ © 2010 Aspen Technology. Determine how these efficiencies affect the column duties:  Condenser Duty: _________ _________  Part D Reboiler Duty: – Perform a tray sizing calculation for the entire column. Inc.90 wt% water in the bottoms – Vary the distillate rate (800-1700 lbmol/hr) and the reflux ratio (0.8-2) – Record the final values for:  Distillate Rate: _________ Ratio: _________  Condenser Duty: _________ _________ Reflux Reboiler Duty: © 2010 Aspen Technology. Inc.95 wt% methanol in the distillate  99.

All rights reserved Reactor Overview Reactors Balance Based RYield RStoic Equilibrium Based REquil RGibbs Kinetics Based RCSTR RPlug RBatch © 2010 Aspen Technology.Aspen+ Essential Workshop 2010-03-08 Reactor Models © 2010 Aspen Technology. Inc. Inc. All rights reserved | 54 AspenTech All Right Reserved 27 .

CO. not an atom balance – Is used to simulate reactors in which inlets to the reactor are not completely known but outlets are known (e.. O2.g. All rights reserved | 55 Balanced Based Reactors (2)  RStoic – Requires both an atom and a mass balance – Used in situations where both the equilibrium data and the kinetics are either unknown or unimportant – Can specify or calculate heat of reaction at a reference temperature and pressure C. to simulate a furnace) 1000 lb/hr Coal IN RYield 70 lb/hr H2O 20 lb/hr CO2 60 lb/hr CO 250 lb/hr tar 600 lb/hr char OUT © 2010 Aspen Technology.Aspen+ Essential Workshop 2010-03-08 Balanced Based Reactors (1)  RYield – Requires a mass balance only. Inc. O2 IN RStoic 2 CO + O2  2 CO2 C + O2  CO2 2 C + O2  2 CO C. Inc. All rights reserved | 56 AspenTech All Right Reserved 28 . CO2 OUT © 2010 Aspen Technology.

All rights reserved | 58 AspenTech All Right Reserved 29 . a few known reactions. and when relatively few components take part in the reactions © 2010 Aspen Technology.Aspen+ Essential Workshop 2010-03-08 Equilibrium Based Reactors (1)  These reactors: – Do not take reaction kinetics into account – Solve similar problems. All rights reserved | 57 Equilibrium Based Reactors (2)  RGibbs – Useful when reactions occurring are not known or are high in number due to many components participating in the reactions – A Gibbs free energy minimization is done to determine the product composition at which the Gibbs free energy of the products is at a minimum – This is the only Aspen Plus block that will deal with vaporliquid-solid phase equilibrium © 2010 Aspen Technology. Inc. Inc. but specifications are different – Allow individual reactions to be at a restricted equilibrium  REquil – Computes combined chemical and phase equilibrium by solving reaction equilibrium equations – Cannot do a three-phase flash – Useful when there are many components.

liquid2 or vapor. free water – Will calculate duty given temperature or temperature given duty – Can model equilibrium reactions simultaneously with ratebased reactions © 2010 Aspen Technology. liquid. and hence must be specified  Kinetics can be specified using one of the following built-in models. All rights reserved | 60 AspenTech All Right Reserved 30 . RPlug and RBatch  Reaction kinetics are taken into account. Inc.Aspen+ Essential Workshop 2010-03-08 Kinetic Reactors (1)  Kinetic reactors are RCSTR. Inc. liquid1. or with a user subroutine: – Power Law – Langmuir-Hinshelwood-Hougen-Watson (LHHW)  A catalyst for a reaction can have a reaction coefficient of zero  Reactions are specified using a Reaction ID © 2010 Aspen Technology. All rights reserved | 59 Kinetic Reactors (2)  RCSTR – Use when reaction kinetics are known and when the reactor contents have same properties as outlet stream – Allows for any number of feeds. which are mixed internally – Up to three product streams are allowed – vapor.

All rights reserved | 62 AspenTech All Right Reserved 31 . RPlug and RBatch)  Multiple reaction sets can be referenced in the reactor models  Each Reaction ID can have multiple and/or competing reactions © 2010 Aspen Technology. Inc. separate from the reactor. and result time – Holding tanks are used to interface with steady-state streams of Aspen Plus © 2010 Aspen Technology. Inc. cycle time. All rights reserved | 61 Using a Reaction ID (1)  Reaction IDs are setup as objects. and then referenced within the reactor(s)  A single Reaction ID can be referenced in any number of kinetic reactors (RCSTR.Aspen+ Essential Workshop 2010-03-08 Kinetic Reactors (3)  RPlug – Handles only rate-based reactions – A cooling stream is allowed – You must provide reactor length and diameter  RBatch – Handles rate-based kinetics reactions only – Any number of continuous or delayed feeds are allowed – Process duration can be specified using stop criteria.

Reactions Object Manager – Click on New to create a new Reaction ID – Enter ID name and select the reaction type from the drop-down box – Enter appropriate reaction data in the forms © 2010 Aspen Technology. All rights reserved | 64 AspenTech All Right Reserved 32 . All rights reserved | 63 Example of a Power Law Reaction ID (1) • The general Power Law kinetic reaction rate is: Reaction Rate  Kinetic Factor  [Componenti] Exponent i − [Componenti] : concentration of component i − Exponenti : kinetic exponent of component i  i • Within a Reaction ID you need to specify: − Stoichiometry sheet: stoichiometric coefficient and kinetic exponent for each component i − Kinetic sheet: kinetic factor data © 2010 Aspen Technology.Aspen+ Essential Workshop 2010-03-08 Using a Reaction ID (2)  To set up a Reaction ID. Inc. go to the Reactions. Inc.

Inc.negative for reactants and positive for products Forward reaction coefficients: Reverse reaction coefficients: A: A: B: B: C: C: D: D: • Kinetic exponents show how the concentration of each component affects the rate of reaction − Typically obtained from experimental data Forward reaction exponents: Reverse reaction exponents: A: A: B: B: | C: C: 66 D: D: © 2010 Aspen Technology. Inc.Aspen+ Essential Workshop 2010-03-08 Example of a Power Law Reaction ID (2)  For a reversible kinetic reaction. both the forward and reverse reactions have to be specified separately Example: 2 A  3B k1   k 2  C  2D Forward reaction Reverse reaction 2 A  3 B  k 1 C  2 D  k2 C  2 D  2 A  3 B Assuming 2nd order in A Assuming 1nd order in C and D (overall 2nd order) − k1 : Kinetic factor for forward reaction − k2 : Kinetic factor for reverse reaction © 2010 Aspen Technology. All rights reserved AspenTech All Right Reserved 33 . All rights reserved | 65 Example of a Power Law Reaction ID (3) – Stoichiometry sheet • Stoichiometry coefficients quantitatively relate the amount of reactants and products in a balanced chemical reaction − By convention .

is specified. T0. Inc. Kinetic Factor is expressed as: Kinetic Factor    E  kT n exp    RT   E  1 1  T  k   exp      T   R T T  0   0   n Kinetic Factor − − − − k : Pre-exponential factor n : Temperature exponent E : Activation energy T0 : Reference temperature © 2010 Aspen Technology. All rights reserved | 68 AspenTech All Right Reserved 34 .Aspen+ Essential Workshop 2010-03-08 Example of a Power Law Reaction ID (4) – Stoichiometry sheet Forward reaction Coefficients Forward reaction: A: -2 B: -3 C: 1 D: 2 Reverse reaction: A: 2 B: 3 C: -1 D: -2 Reverse reaction Exponents Forward reaction: A: 2 B: 0 C: 0 D: 0 Reverse reaction: A: 0 B: 0 C: 1 D: 1 © 2010 Aspen Technology. Inc. All rights reserved | 67 Example of a Power Law Reaction ID (5) Kinetic sheet  If reference temperature.

Inc. All rights reserved | 69 Heats of Reaction  Heats of reaction need not be provided for reactions  Heats of reaction are typically calculated as the difference between inlet and outlet enthalpies for the reactor (see Appendix A)  If you have a heat of reaction value that does not match the value calculated by Aspen Plus.Aspen+ Essential Workshop 2010-03-08 Example of a Power Law Reaction ID (6) Kinetic sheet © 2010 Aspen Technology. Inc. All rights reserved | 70 AspenTech All Right Reserved 35 . you can adjust the heats of formation (DHFORM) of one or more components to make the heats of reaction match  Heats of reaction can also be calculated or specified at a reference temperature and pressure in an RStoic reactor © 2010 Aspen Technology.

3 m P-CSTR Use the NRTL-HOC property method RCSTR © 2010 Aspen Technology.14 m3 71 Reactor Workshop (2)  Reactor Conditions: Temperature = 70°C.BKP © 2010 Aspen Technology. All rights reserved | Volume = 0.95 x 107 J/kmol – Reactions occur in the liquid phase – Composition basis is Molarity  Hint: Check that each reactor is considering both Vapor and Liquid as Valid phases Filename: REACTORS. E = 5.892 kmol/hr Ethanol: 186.9 x 108.Aspen+ Essential Workshop 2010-03-08 Reactor Workshop (1)  Objective: Compare the use of different reactor types to model a reaction 70% conversion of ethanol F-STOIC RSTOIC FEED Feed: Temp = 70°C DUPL Pres = 1 atm Water: 8. Inc.59 kmol/hr Acetic Acid: 192. E = 5. All rights reserved | 72 AspenTech All Right Reserved 36 .6 kmol/hr F-CSTR F-GIBBS P-GIBBS P-STOIC RGIBBS F-PLUG RPLUG Length = 2 m P-PLUG Diameter = 0. Pressure = 1 atm  Stoichiometry: Ethanol + Acetic Acid  Ethyl Acetate + Water  Kinetic Parameters: – Reactions are first order with respect to each of the reactants in the reaction (second order overall) – Forward Reaction: k = 1.0 x 107. Inc.95 x 107 J/kmol – Reverse Reaction: k = 5.

Inc. All rights reserved AspenTech All Right Reserved 37 . All rights reserved | 73 Physical Properties © 2010 Aspen Technology. Inc.Aspen+ Essential Workshop 2010-03-08 Reactor Workshop (3)  Results RStoic Amount of Ethyl Acetate produced (kmol/hr) Mass fraction Ethyl Acetate in product stream Heat duty (kcal/hr) RGibbs RPlug RCSTR © 2010 Aspen Technology.

Inc.110.5 mole % acetone recovery BTMS Ideal Approach Predicted number of stages required Approximate cost ($) 11 650.Aspen+ Essential Workshop 2010-03-08 Case Study – Acetone Recovery  Correct choice of physical property models and accurate physical property parameters are essential for obtaining accurate simulation results OVHD FEED COLUMN Specification: 99. Inc.000 75 © 2010 Aspen Technology.000 Equation of State Approach 7 490.000 | Activity Coefficient Model 42 1. All rights reserved | 76 AspenTech All Right Reserved 38 . All rights reserved How to Establish Physical Properties Choose a Property Method Check Parameters/Obtain Additional Parameters Confirm Results Create the Flowsheet © 2010 Aspen Technology.

All rights reserved | 77 Physical Property Models  Approaches to representing physical properties of components Physical Property Models Ideal Equation of State (EOS) Models Activity Coefficient Models Special Models  Choice of model types depends on degree of non-ideal behavior and operating conditions © 2010 Aspen Technology. Inc.Aspen+ Essential Workshop 2010-03-08 Definition of Terms  Property Method – Set of property models and methods used to calculate the properties required for a simulation  Property – Calculated physical property value. Inc. such as mixture enthalpy  Property Model – Equation or equations used to calculate a physical property  Property Parameter – Constant used in a property model  Property Set (Prop-Set) – A method of accessing properties so that they can be used or tabulated elsewhere © 2010 Aspen Technology. All rights reserved | 78 AspenTech All Right Reserved 39 .

. TXY & XY) y x © 2010 Aspen Technology..g. Non-Ideal Behavior  What do we mean by ideal behavior? – Ideal Gas law and Raoult’s law  Which systems behave as ideal? – Non-polar components of similar size and shape  What controls degree of non-ideality? – Molecular interactions. size and shape of the molecules  How can we study the degree of non-ideality of a system? – Property plots (e. All rights reserved | 79 Comparison of EOS and Activity Models Equation of State Models Good for vapor phase modeling and liquids of low polarity Limited in ability to represent non-ideal liquids Fewer binary parameters required Parameters extrapolated reasonably with temperature Consistent in critical region Examples: − PENG-ROB − RK-SOAVE Activity Coefficient Models Good for liquid phase modeling only Can represent highly non-ideal liquids Many binary parameters required Binary parameters are highly temperature dependent Inconsistent in critical region Examples: − − − − NRTL UNIFAC UNIQUAC WILSON © 2010 Aspen Technology. e. Polarity. Inc. Inc. All rights reserved | 80 AspenTech All Right Reserved 40 .Aspen+ Essential Workshop 2010-03-08 Ideal vs.g.

© 2010 Aspen Technology. Inc. All rights reserved 82 AspenTech All Right Reserved 41 . gives similar. N2. Physical Property Methods. more detailed guidelines for choosing a property Method.Aspen+ Essential Workshop 2010-03-08 Henry's Law  Henry's Law is used to determine the amount of a supercritical component or light gas in the liquid phase – It is only used with Ideal and Activity Coefficient models  Declare any supercritical components or light gases (CO2. All rights reserved | 81 Choosing a Property Method – Review Do you have any polar components in your system? N Use EOS Model Y Y Are the operating conditions near the critical region of the mixture? N Do you have light gases or supercritical components in your system? Y Use activity coefficient model with Henry’s Law | N Use activity coefficient model References: Aspen Plus User Guide. Inc. etc. Chapter 7. select the Henry's components ID from the Henry Components dropdown list on the Properties Specifications Global sheet © 2010 Aspen Technology.) as Henry's components on the Components Henry Comps Selection sheet  Then.

Water. Propanol Property Method © 2010 Aspen Technology. Carbon Dioxide Water. Ethane.Aspen+ Essential Workshop 2010-03-08 Property Method Selection Assistant © 2010 Aspen Technology. Inc. Water Benzene. UNIQUAC NRTL-RK. WILSON  Choose an appropriate Property Method for the following systems of components at ambient conditions: System Ethanol. All rights reserved | 84 AspenTech All Right Reserved 42 . Toluene Acetone. Water Acetone. Butane Benzene. Inc. Water Model Type Equation of State Activity Coefficient Activity Coefficient Property Method RK-SOAVE. All rights reserved | 83 Choosing a Property Method – Example System Propane. Cyclohexane Ethane. PENG-ROB NRTL-RK.

Choose Property Method.7 PSI) 0 0. Check Parameters – Determine availability of parameters in the Aspen Plus databanks.6 0.8 1 LIQUID MOLEFRAC ETHANOL 0 0.7 PSI) (PRES = 14. Confirm Results – Verify choice of Property Method and physical property data using the Property Analysis plotting tool © 2010 Aspen Technology.4 0. All rights reserved | 86 AspenTech All Right Reserved 43 . All rights reserved | 85 How to Establish Physical Properties – Review 1.4 0.7 PSI) (PRES = 14.6 0.2 0. and obtain additional parameters if necessary 3. Inc.8 1 LIQUID MOLEFRAC TOLUENE – When using a binary analysis to check for liquid-liquid phase separation. Inc.8 1 LIQUID MOLEFRAC METHANOL 0 0. based on: Components present in simulation – Operating conditions in simulation – Available data or parameters for the components – 2.2 0.Aspen+ Essential Workshop 2010-03-08 Property Analysis Plots  Predicting non-ideal behavior: Ideal XY Plot: y-x diagram for METHANOL / PROPANOL XY Plot showing an Azeotrope: y-x diagram for ETHANOL / TOLUENE XY Plot showing two Liquid phases: y-x diagram for TOLUENE / WATER (PRES = 14. choose Vapor-Liquid-Liquid as Valid phases © 2010 Aspen Technology.6 0.2 0.4 0.

Inc. or set. etc. All rights reserved | 88 AspenTech All Right Reserved 44 . Inc.Aspen+ Essential Workshop 2010-03-08 Property Sets  A property set (Prop-Set) is a way of accessing a collection.) © 2010 Aspen Technology.) Heating/cooling curves (Flash2. Calculator blocks. MultiFrac. only the name of the property set is referenced when using the properties in an application  Use property sets to report thermodynamic. Sensitivity analysis Stream reports Physical property tables (Property Analysis) Tray properties (RadFrac. All rights reserved | 87 Properties Included in Prop-Sets  Available properties include: – – – – – – – – – Thermodynamic properties of components in a mixture Pure component thermodynamic properties Transport properties Electrolyte properties Petroleum-related properties VFRAC BETA CPMX MUMX Molar vapor fraction of a stream Fraction of L1 to total liquid for a mixture Constant pressure heat capacity for a mixture Viscosity for a mixture  Properties commonly included in property sets include: © 2010 Aspen Technology. HeatX. transport. and other property values  Current property set applications include: – – – – – Design specifications. of properties as an object with a user-given name. etc.

Inc. All rights reserved AspenTech All Right Reserved 45 . All rights reserved | 89 Cyclohexane Workshop Won-Seok Lee AspenTech Korea. Business Consultant © 2010 Aspen Technology. Inc.  DataBrowser->Setup->Report Options->Stream – Click the Property Sets button and move the Prop-Set name from the available to selected area © 2010 Aspen Technology.Aspen+ Essential Workshop 2010-03-08 Specifying Property Sets  Select properties for a property set using the Properties Prop-Sets form – The Search button can be used to search for a property – The Units fields are optional.

005 CH4 = 0.02 92% flow to stream H2RCY H2RCY VFLOW H2IN VAP FEED-MIX RXIN T = 150°C P = 23 bar REACT HP-SEP RXOUT T = 200°C Pdrop = 1 bar Benzene conv = 0. All rights reserved | 92 AspenTech All Right Reserved 46 . Part of the light gas stream is fed back to the reactor as recycle hydrogen – The liquid product stream from the separator is fed to a distillation column to further remove any dissolved light gases and to stabilize the end product. The remaining portion is recycled to the reactor to aid in temperature control © 2010 Aspen Technology.9999 by varying Bottoms rate from 97 to 101 kmol/hr © 2010 Aspen Technology.8% – The reactor effluent is cooled and the light gases separated from the product stream.2 Bottoms rate = 99 kmol/hr Partial Condenser with vapor distillate only Column Pressure = 15 bar Feed stage = 8 BZIN T = 40°C P = 1 bar Benzene flow = 100 kmol/hr LIQ COLFD LFLOW CHRCY 30% flow to stream CHRCY Use the RK-SOAVE property method Filename: CYCLOHEXANE.998 T = 50°C Pdrop = 0.975 N2 = 0. Assume a benzene conversion of 99. Inc.5 bar LTENDS Theoretical Stages = 12 Reflux ratio = 1.BKP PRODUCT COLUMN Specify cyclohexane mole recovery in PRODUCT stream equal to 0. Inc. All rights reserved | 91 Process Flowsheet PURGE Total flow = 330 kmol/hr T = 50°C P = 25 bar Molefrac H2 = 0.Aspen+ Essential Workshop 2010-03-08 Process Description  Part A: Create a flowsheet to model a cyclohexane production process – Cyclohexane can be produced by the hydrogenation of benzene in the following reaction: C6H6 + 3H2  C6H12 – The benzene and hydrogen feeds are combined with recycle hydrogen and cyclohexane before entering a fixed bed catalytic reactor.

All rights reserved Sensitivity Analysis Example RECYCLE REACTOR COOL FEED REAC-OUT COOL-OUT SEP Filename: CUMENE-S. All rights reserved | 94 AspenTech All Right Reserved 47 .Aspen+ Essential Workshop 2010-03-08 Sensitivity Analysis © 2010 Aspen Technology. Inc.BKP PRODUCT  Determine the effect of cooler outlet temperature on the purity of the product stream – What is the manipulated (varied) variable? » COOL outlet temperature – What is the measured (sampled) variable? » Purity (mole fraction) of cumene in PRODUCT stream © 2010 Aspen Technology. Inc.

All rights reserved | 96 AspenTech All Right Reserved 48 . All rights reserved | 95 Uses of Sensitivity Analysis  Studying the effect of changes in input variables on process (model) outputs  Graphically representing the effects of input variables  Verifying that a solution to a design specification is feasible  Rudimentary optimization  Studying time varying variables using a quasi-steady-state approach  Doing case studies © 2010 Aspen Technology.Aspen+ Essential Workshop 2010-03-08 Sensitivity Analysis  Allows user to study the effect of changes in input variables on process outputs  Located under Data Browser | Model Analysis Tools | Sensitivity  Results can be viewed by looking at the Results form in the folder for the Sensitivity block  Plot results to easily visualize relationships between different variables © 2010 Aspen Technology. Inc. Inc.

All rights reserved | 97 Plotting  Select the column containing the X-axis variable and then select X-Axis Variable from the Plot menu  Select the column containing the Y-axis variable and then select Y-Axis Variable from the Plot menu  (Optional) Select the column containing the parametric variable and then select Parametric Variable from the Plot menu  Select Display Plot from the Plot menu  Note: To select a column. click the heading of the column with the left mouse button © 2010 Aspen Technology. Inc. Inc.Aspen+ Essential Workshop 2010-03-08 Steps for Using Sensitivity Analysis  Specify measured (sampled) variable(s) – These are quantities calculated during the simulation to be used in step 4 (Define sheet)  Specify manipulated (varied) variable(s) – These are the flowsheet variables to be varied (Vary sheet)  Specify range(s) for manipulated (varied) variable(s) – Variation for manipulated variable can be specified either as equidistant points within an interval or as a list of values for the variable (Vary sheet) – Tip: You can check the Disable variable box to temporarily not vary that variable  Specify quantities to calculate and tabulate – Tabulated quantities can be any valid Fortran expression containing variables defined in step 1 (Tabulate sheet) – Tip: Click the Fill Variables button to automatically tabulate all of the define variables © 2010 Aspen Technology. All rights reserved | 98 AspenTech All Right Reserved 49 .

Aspen+ Essential Workshop 2010-03-08 Workshop : Sensitivity Analysis  Part B: Add a sensitivity analysis to study the effect of the recycle flowrate on the reactor duty – Plot the variation of REACT duty as the recycle split fraction in LFLOW is varied from 0. Tabulate the reactor duty and construct a parametric plot showing the dependence of the reactor duty on recycle split fraction and the conversion of benzene – Note: Both of these studies should be set up within the same sensitivity analysis block © 2010 Aspen Technology. All rights reserved | 99 Design Specifications Aspen Plus®: Process Modeling © 2010 Aspen Technology.0. Inc.9 to 1.4 – In addition to the split fraction.1 to 0. Inc. vary the conversion of benzene in the reactor from 0. All rights reserved AspenTech All Right Reserved 50 .

to be included in the objective function (Define sheet)  Specify objective function (Spec) and goal (Target) – This is the equation that the specification attempts to satisfy (Spec sheet)  Set tolerance for objective function – The specification is converged when the objective function equation is satisfied to within this tolerance (Spec sheet)  Specify manipulated (varied) variable – This is the variable whose value changes in order to satisfy the objective function equation (Vary sheet) © 2010 Aspen Technology.Aspen+ Essential Workshop 2010-03-08 Design Specification Example RECYCLE REACTOR COOL FEED REAC-OUT COOL-OUT SEP Filename: CUMENE-D.98 © 2010 Aspen Technology. All rights reserved | 101 Steps for Using Design Specifications (1)  Identify measured (sampled) variables – These are flowsheet quantities.BKP PRODUCT  Determine the cooler outlet temperature to achieve a cumene product purity of 98 mole percent: – – – What is the manipulated (varied) variable? » COOL outlet temperature What is the measured (sampled) variable? » Mole fraction of cumene in PRODUCT stream What is the specification (target) to be achieved? » Mole fraction of cumene in PRODUCT stream = 0. Inc. usually calculated. Inc. All rights reserved | 102 AspenTech All Right Reserved 51 .

for example.7 MMkcal/hr. the units of the variable(s) used in the objective function (step 2) and those for the manipulated variable (step 5) are the units for that variable type as specified by the Units Set declared for the design specification. All rights reserved | 104 AspenTech All Right Reserved 52 . if you do.Aspen+ Essential Workshop 2010-03-08 Steps for Using Design Specifications (2)  Specify range of manipulated (varied) variable – These are the lower and upper bounds of the interval within which Aspen Plus will vary the manipulated variable (Vary sheet)  By default. Inc. Determine the amount of cyclohexane recycle necessary to keep the cooling load on the reactor to this amount: ________ kmol/hr  Note: The heat convention used in Aspen Plus is that heat input to a block is positive. if you change the units to MetCBar in the Specs sheet. Inc. All rights reserved | 103 Workshop : Design Specification  Part C: Hide the sensitivity analysis and use a design specification to fix the heat load on the reactor by varying the recycle flowrate  The cooling system around the reactor can handle a maximum operating load of 4. however. you can change the units using the Object-level Units dropdown list in the Data Browser toolbar. and heat removed from a block is negative © 2010 Aspen Technology. the units in the Vary form are also MetCBar © 2010 Aspen Technology. it changes the units for all sheets in this form.

Inc. 0 means bubble point © 2010 Aspen Technology. All rights reserved Heater Model  The Heater block mixes multiple inlet streams to produce a single outlet stream at a specified thermodynamic state  A Heater can be used to represent: – – – – – Heaters Coolers Valves Pumps (when work-related results are not needed) Compressors (when work-related results are not needed)  Heater also can be used to set the thermodynamic conditions of a stream  Vapor fraction of 1 means dew point condition.Aspen+ Essential Workshop 2010-03-08 Heat Exchangers © 2010 Aspen Technology. Inc. All rights reserved | 106 AspenTech All Right Reserved 53 .

Aspen+ Essential Workshop 2010-03-08 Heat Streams  One outlet heat stream can be specified for the net heat load from a Heater – The net heat load is the sum of the inlet heat streams minus the actual (calculated) heat duty  Heat streams flow in the direction that information (not heat) flows  When a heat stream is an inlet to a block. and rigorous design calculations  Shortcut rating calculations (simple heat and material balance calculations) can be performed if exchanger geometry is unknown or unimportant  For detailed and rigorous heat transfer and pressure drop calculations. Heater uses the sum of the inlet heat streams as a duty specification © 2010 Aspen Technology. All rights reserved | 107 HeatX Model  HeatX can perform shortcut. you only need one thermodynamic specification (temperature or pressure). All rights reserved | 108 AspenTech All Right Reserved 54 . detailed rating and simulation calculations. Inc. Inc. the heat exchanger geometry must be specified © 2010 Aspen Technology.

Inc. All rights reserved | 110 AspenTech All Right Reserved 55 . vapor fraction or temp Geo : HX geometry * : Available in only Shell & Tube (TASC+) © 2010 Aspen Technology. Inc. All rights reserved | 109 HeatX Run Type Shortcut Input Design Rating Simulation Max. e. fouling Duty or Tout Duty or Tout and UA UA N/A UA Output Detail / Shell & Tube Input Duty or Tout Output Geo* Over Design% Tout and Duty Over Design% Duty and Geo Tout and Duty N/A Geo Tout : Stream condition in one of outlet streams.g.Aspen+ Essential Workshop 2010-03-08 HeatX Model  You can access Aspen rigorous heat exchanger modeling software directly within the HeatX block – – – – – Aspen Shell & Tube Exchanger Aspen Air Cooled Exchanger Aspen Plate Exchanger Hetran Aerotran  Information related to the heat exchanger configuration and geometry is entered through the individual program on the EDR Browser form © 2010 Aspen Technology.

Aspen+ Essential Workshop 2010-03-08 HeatX Key Options  Options – Valid phases  Block Options – Property method – Water Solubility  Setup->LMTD – Interval © 2010 Aspen Technology. All rights reserved | 112 AspenTech All Right Reserved 56 . or Design Spec) to avoid flowsheet complexity created by HeatX © 2010 Aspen Technology. the utility) is not important  Use two Heaters (coupled by a heat stream.. Inc. Inc. Calculator block.g. All rights reserved | 111 HeatX versus Heater  Use HeatX when both sides are important  Use Heater when one side (e.

20% ethylbenzene. 60000 kg/hr water – Choose the appropriate Property Method for both the hot and cold sides of this system  Unit Operations – For the Heater blocks:  Hydrocarbon stream exit has a vapor fraction of 0  No pressure drop in either stream © 2010 Aspen Technology. Inc. Inc. make sure that you connect cold streams to cold ports and hot streams to hot ports. All rights reserved | 113 HeatX Workshop (2)  Streams – Hydrocarbon stream: 200°C. Filename: HEATX. All rights reserved | 114 AspenTech All Right Reserved 57 .BKP © 2010 Aspen Technology. a Heater using a Utility. 10000 kg/hr  50 wt% benzene. and a detailed HeatX HCLD-IN HEAT-C HCLD-OUT DHOT-OUT Q-TRANS UHOT-IN HEAT-U UHOT-OUT DCLD-IN DCLD-OUT DHEATX DHOT-IN HHOT-IN HEAT-H HHOT-OUT Tip: In HeatX. 4 bar. 20% styrene.Aspen+ Essential Workshop 2010-03-08 HeatX Workshop (1)  Objective: Compare the simulation of a heat exchanger that uses water to cool a hydrocarbon mixture using three methods: two Heaters connected with a Heat stream. 10 wt% water – Cooling water: 20°C. 10 bar.

Inc. Run in Rating mode where the hydrocarbons in the shell leave with a vapor fraction of 0 Required area ______ m2 Actual area ______ m2 Over/under-surfaced ______ % Hot outlet stream T ______ °C 3. 10 bar  Outlet Conditions: 35°C. 21 mm ID. 1 tube pass  300 bare tubes. All rights reserved | 115 HeatX Workshop (4)  Utility – Cooling water  Inlet Conditions: 20°C. 25 mm OD  All nozzles 100 mm  5 baffles.0001 $ / kg – How much Cooling Water is needed?  Bonus – Add a design specifications to determine how much cooling water is needed in stream HCLD-IN for HCLD-OUT to have a temperature of 35°C © 2010 Aspen Technology. pitch 31 mm. Enter Geometry:  Shell diameter 1 m. Create heat curves containing all info required for thermal design © 2010 Aspen Technology. 15% cut 2. All rights reserved | 116 AspenTech All Right Reserved 58 . 3 m length.Aspen+ Essential Workshop 2010-03-08 HeatX Workshop (3)  –   – For the HeatX block: First run as a Shortcut model with: Hydrocarbon stream exit has a vapor fraction of 0 No pressure drop in either stream For the Detailed HeatX block: 1. Inc. Change the Calculation Type to Simulation and re-run Hot outlet stream T ______ °C 4. 10 bar  Price: 0.

use the following state variables to specify the heat release of the water: Inlet Temperature (C) 5. Inc. Inc. All rights reserved | 118 AspenTech All Right Reserved 59 . Associate the cooling water utility with the RADFRAC Block’s (“COLUMN”) condenser.0 0. Create a new utility for cooling water. Hint: This is done on the COLUMN | SETUP form’s Condenser sheet © 2010 Aspen Technology.9 2.0005 $/kg Outlet 20.Aspen+ Essential Workshop 2010-03-08 Cyclohexane HeatX Flowsheet Optional Workshop PURGE LTENDS VFLOW H2RCY H2IN FEED-MIX RXIN REACT VAP HP-SEP RXOUT COLUMN STG2 COND LFLOW COOLWAT PRODUCT WARMWAT BZIN CHRCY COLFD CNDSATEB Filename: HEATX-CYCLOHEXANE. All rights reserved | 117 Cyclohexane HeatX Workshop (1) Part A: Using a Utility in the Condenser 1.BKP © 2010 Aspen Technology.0 2.0 Pressure (bar) Purchase price 3.

tube OD. All rights reserved | 120 AspenTech All Right Reserved 60 . number of tubes. you will have to later navigate to the COLUMN | REPORT form’s PSEUDO sheet and define the stream as the vapor on stage 2  Add a new cold feed stream to the COND block and use the calculated cooling water flowrate and conditions from part A  Change the COND block’s calculation TYPE to “RATING” and change the exchanger specification field to “EXCHANGER DUTY”. tube pitch. Inc. Inc. baffle cut. use the calculated condenser duty from the COLUMN block © 2010 Aspen Technology. for the value field. and all 4 nozzle diameters NOTE: Use 29 total baffles Allow all other input fields to use default values © 2010 Aspen Technology. All rights reserved | 119 Cyclohexane HeatX Workshop (2)    Specify the hot fluid on the SHELL side Use the TEMA data sheet on the next page to enter the following information: Shell inside diameter (see the size item in row 6 and the shell OD in row 42 of the TEMA sheet). baffle type. connect the source of the feed stream to the PSEUDO stream connection port on the right side of the COLUMN block. tube pattern. center-to-center (c/c) baffle spacing. tube thickness.Aspen+ Essential Workshop 2010-03-08 Cyclohexane HeatX Workshop (2)  Part B: Rigorous Rating of the Condenser  Add a new HEATX block called “COND” to the flowsheet  For the hot feed stream to the COND block.

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