FRI 82 paper

Simulation of FRI Data (ref below) with ChemSep (Copyright R. Taylor, H.A. Kooijman) For the calculations the path statement (in RED) to ChemSep LITE must be correct!
T. Yanagi, M. Sakata, ``Performance of a commercial scale 14% hole area sieve tray'' Stage 4 is been used to fit the composition curve (by changing the efficiency)
Ind. Eng. Chem. Proc. Des. Dev., Vol. 21 (1982) pp. 712-717 Note: the reflux is subcooled (by Toverhead-Ttoptray) and the reported FRI top pressure is not correct

EXPERIMENTAL SIMULATED
Temperatures
cC6/nC7 Diameter 1.2 CS-LITE path c:\apps\harry\chemsepl\
Area 14% Xarea 1.13097336 #stages 12 65

Run 625.exp 628.exp file name: 625.sep 628.sep

sim result #VALUE! #VALUE! 60
Rhov kg/m3 1.12 1.03
Rhol kg/m3 703 718
55
Vapor kg/s 2.82 1.69 Fit stage 4
Liquid m3/s 14.45 8.47 dev X (%) #VALUE! #VALUE!
F 2.36 1.47 dev T (K) #VALUE! #VALUE! 50

Eff % 41.1 70.8 efficiency: 45.4 70 625.se

top pres kPa 34 34 pres. (kPa) 32.3 31.5 45 p
Dp kPa 0.858 0.393 Dp 0.858 0.393 628.se
p
Subcooling Celcius 10.6 7.4 dev. dev. 625.ex
Reflux Celcius 36.5 38.3 1 #VALUE! #VALUE! ### ### 40 p

Overhead 47.1 45.7 2 #VALUE! #VALUE! ### ###

9 48.7 46.4 3 #VALUE! #VALUE! ### ###
35
8 50.1 47.2 4 #VALUE! #VALUE! ### ###
1 3 5 7 9 11
7 51.1 47.8 5 #VALUE! #VALUE! ### ###
6 52.4 48.7 6 #VALUE! #VALUE! ### ###
5 53.9 49.7 7 #VALUE! #VALUE! ### ###
4 55.4 51.2 8 #VALUE! #VALUE! ### ### Compositions
3 57.2 52.9 9 #VALUE! #VALUE! ### ###
2 59.4 55.1 10 #VALUE! #VALUE! ### ### 100
1 11 #VALUE! #VALUE! 90
Reb vap 64 60.1 12 #VALUE! #VALUE! ### ###
Reb liq 64.3 60.2 80
simulation stage dev. dev. 70
Reflux Mol% cC6 88.05 98.8 1 #VALUE! #VALUE! ### ###
10 86.9 97.4 2 #VALUE! #VALUE! ### ### 60
9 85.15 95.7 3 #VALUE! #VALUE! ### ### 50
8 83.35 93.7 4 #VALUE! #VALUE! ### ### 625.se
p
7 80.7 5 #VALUE! #VALUE! ### 40
628.se
6 76.5 6 #VALUE! #VALUE! ### p
30
625.ex
5 81.9 7 #VALUE! #VALUE! ### p
4 63.55 73.2 8 #VALUE! #VALUE! ### ### 20
3 56.5 9 #VALUE! #VALUE! ### 10
2 10 #VALUE! #VALUE!
1 11 #VALUE! #VALUE! 0
1 3 5 7 9 11
Reb liq 29.4 28.4 12 #VALUE! #VALUE! ### ###

Page 1
 625
[ChemSep]
Version=6.22
Name=C:\Program Files\ChemSepL\625.sep
Title=Simulation of distillation tests by FRI published in Ind. Eng. Chem. Proc. Des. Dev., Vol. 21 (1982) pp. 712-717

[Paths]
Device drivers path=c:\progra~1\chemsepl\bin\
Help and Info path=c:\progra~1\chemsepl\help\
Component data path=c:\progra~1\chemsepl\pcd\
Property data path=c:\progra~1\chemsepl\ipd\
Section data path=c:\progra~1\chemsepl\ild\
Executables path=c:\progra~1\chemsepl\bin\
Temporary path=WINTMPDIR
Scripts path=c:\progra~1\chemsepl\bin\

[Units]
Temperature=øC
Flow=mol/s
Mass flow=kg/s
Pressure=kPa
Heat=W
Enthalpy=J/kmol
Entropy=J/kmol/K
Fraction=Ä
Length=m
1/Length=1/m
Area=mý
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Angle=rad
Velocity=m/s
Surface tension=N/m
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Viscosity=N/m2.s
Molecular weight=kg/kmol
Heat capacity=J/kmol/K
Thermal conductivity=J/s/m2/K
Diffusivity=mý/s
Interaction parameter=J/mol
Time=s

[Components]
2
129 137 Library Offset, Index, CAS=110-82-7 CID=C6H12
Name=Cyclohexane
Lib=c:\progra~1\chemsepl\pcd\chemsep1.pcd
147 17 Library Offset, Index, CAS=142-82-5 CID=C7H16
Name=N-heptane

Page 2
 625
Lib=c:\progra~1\chemsepl\pcd\chemsep1.pcd

[Operation]
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12 Operation kind Total Reflux Column
2 Condenser Total (Subcooled product)
2 Reboiler Total (Vapour product)
12 12 Stages
1 Feed stages
0 Sidestream stages
F=10
S=
0 Pumparound stages
P=

[Properties]

[Thermodynamics]
3 K model Gamma-Phi
8 Activity coefficient UNIFAC
* Wilson model *
* UNIQUAC model *
3 Equation of State Cubic
3 Cubic EOS Soave-RK
* Virial EOS *
1 Vapour pressure Antoine

[Enthalpy]
3 Enthalpy Excess
1 Enthalpy reference state Vapour
298.15 Enthalpy reference temperature
1 Formation enthalpies Excluded
298.15 Exergy surroundings temperature

[Physical property models]

0 No Check T range
* Cubic EOS *
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* Vapour component Cp
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Page 3
 625
* Liquid component Cp
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1 2 * C6H12/C7H16

[Reaction data]
0 Number of reactions

[Specifications]
Top
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[Heaters/Coolers]
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11 11 Last stage

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0 Number

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32300 34000 Top pressure
858 0 Pressure Drop
* Bottom pressure

[Feeds]
1 Number
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12 12 Stage Feed1
* Temperature
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0 Vapour fraction
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Page 4
 625
0.294 0.222 Component 1 flow
0.706 0.778 Component 2 flow

[Condenser]
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Page 5
 625
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[CoCo]
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Page 7
 625
# Coco icon generated by ChemSep
# Sizes
WIDTH 14
HEIGHT 20
DEFHEIGHT 24
XGROW 4
YGROW 10
# column + Internals
BODY 0 4 8 16 -1 4
LINE DASHED 0.5 8 7.5 8
LINE DASHED 0.5 12 7.5 12
# Total Subcooled Condenser
BODY 10 0 14 4 -1 -1
LINE 4442
LINE ARROW 4 2 10 2
LINE 12 4 12 8
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Page 15
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Vol. 21 (1982) pp. 712-717

Page 16
 625

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 628
[ChemSep]
Version=6.22
Name=C:\Program Files\ChemSepL\628.sep
Title=Simulation of distillation tests by FRI published in Ind. Eng. Chem. Proc. Des. Dev., Vol. 21 (1982) pp. 712-717

[Paths]
Device drivers path=c:\progra~1\chemsepl\bin\
Help and Info path=c:\progra~1\chemsepl\help\
Component data path=c:\progra~1\chemsepl\pcd\
Property data path=c:\progra~1\chemsepl\ipd\
Section data path=c:\progra~1\chemsepl\ild\
Executables path=c:\progra~1\chemsepl\bin\
Temporary path=WINTMPDIR
Scripts path=c:\progra~1\chemsepl\bin\

[Units]
Temperature=øC
Flow=mol/s
Mass flow=kg/s
Pressure=kPa
Heat=W
Enthalpy=J/kmol
Entropy=J/kmol/K
Fraction=Ä
Length=m
1/Length=1/m
Area=mý
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Angle=rad
Velocity=m/s
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Molecular weight=kg/kmol
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Interaction parameter=J/mol
Time=s

[Components]
2
129 137 Library Offset, Index, CAS=110-82-7 CID=C6H12
Name=Cyclohexane
Lib=c:\progra~1\chemsepl\pcd\chemsep1.pcd
147 17 Library Offset, Index, CAS=142-82-5 CID=C7H16
Name=N-heptane

Page 18
 628
Lib=c:\progra~1\chemsepl\pcd\chemsep1.pcd

[Operation]
2 Operation Column
12 Operation kind Total Reflux Column
2 Condenser Total (Subcooled product)
2 Reboiler Total (Vapour product)
12 12 Stages
1 Feed stages
0 Sidestream stages
F=10
S=
0 Pumparound stages
P=

[Properties]

[Thermodynamics]
3 K model Gamma-Phi
8 Activity coefficient UNIFAC
* Wilson model *
* UNIQUAC model *
3 Equation of State Cubic
3 Cubic EOS Soave-RK
* Virial EOS *
1 Vapour pressure Antoine

[Enthalpy]
3 Enthalpy Excess
1 Enthalpy reference state Vapour
298.15 Enthalpy reference temperature
1 Formation enthalpies Excluded
298.15 Exergy surroundings temperature

[Physical property models]

0 No Check T range
* Cubic EOS *
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* Vapour component Cp
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Page 19
 628
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* Liquid component conductivity
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* Component surface tension *
* Vignes MS D-model *
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Page 20
 628
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[Solve options]
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Page 21
 628
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<line2 x=0.9 y=0.3 />
<line2 x=0.88 y=0.31 />
<line2 x=0.88 y=0.29 />
<line2 x=0.9 y=0.3 />
<string x=0.775472 y=0.369057 s="Bottom" />
</svg>

[CoCo]
<icon>

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 628
# Coco icon generated by ChemSep
# Sizes
WIDTH 14
HEIGHT 20
DEFHEIGHT 24
XGROW 4
YGROW 10
# column + Internals
BODY 0 4 8 16 -1 4
LINE DASHED 0.5 8 7.5 8
LINE DASHED 0.5 12 7.5 12
# Total Subcooled Condenser
BODY 10 0 14 4 -1 -1
LINE 4442
LINE ARROW 4 2 10 2
LINE 12 4 12 8
LINE ARROW 12 8 8 8
LINE THINLINE OARROW 14.2 -.2 9.8 4.2
LINE 12 8 14 8
CONNECTION 14 8
# Total Reboiler
BODY 10 16 14 20 -1 -1
LINE 4 16 4 18
LINE ARROW 4 18 10 18
LINE 12 16 12 12
LINE ARROW 12 12 8 12
LINE THINLINE OARROW 9.8 20.2 14.2 15.8
LINE 12 12 14 12
CONNECTION 14 12
# Connections and free space for feeds and sidestreams
VCONNECTION 0 8 12
VCONNECTION 8 9 11
FREESPACE 9 9 12 11
FREESPACE 13 9 14 11
</icon>

[Settings]
<Graphs>
-1
-1
-1
0 Graph settings
1 Auto colors
1 Auto points
0.2
StringGrid5
2
8
Title

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 628
Labels
Stages
Axis color
Commands
Box
Labels box
Import data

StringGrid4
5
9

Title
Start
End
Tic interval
Small tics
Grid
Logarithmic
Scientific notation
x1

y1

x2

Page 25
 628

y2

StringGrid3
1
14

Label
Plot X
Plot Y
X axis
Y axis
Units X
Units Y
Color
Points
Thickness
Style
1st stage
Last stage
</Graphs>
<McCabe-Thiele>
0 Graph settings
0
1
StringGrid7
16
2
Title
McCabe-Thiele diagram for C6H12 - C7H16
Xlabel
X C6H12/(C6H12+C7H16)
Ylabel
Y C6H12/(C6H12+C7H16)
X interval
0.2
Y interval
0.2

Page 26
 628
X min
0
X max
1
Y min
0
Y max
1
X tics
0
Y tics
0
Axis color
Black
Grid
Off
y Fractions
Vertical
Commands
set label "ChemSep" at 1,0.02 right
Stage numbers
On
StringGrid11
5
3

</McCabe-Thiele>
<FUG>
0
1
0
0.95
0.95
1.2
</FUG>

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 628
<Parametrix>
1
0 Use old results
1 Automatic
0 Keep sep-files
1 Restore original
StringGrid1
1
6

StringGrid2
4
1

StringGrid3
1
1
None
</Parametrix>
<BinaryPhaseDiagram>
-1
-1
-1

21
Binary Phase Diagram

-1

Page 28
 628
-1
StringGrid1
3
5

</BinaryPhaseDiagram>
<TernaryPhaseDiagram>
-1
-1
-1
0

21
Ternary Phase Diagram
T
0
1
1

StringGrid1
3
5

Page 29
 628

</TernaryPhaseDiagram>
<BinaryPropertyDiagram>
0
0
-1
-1
-1

21
Binary Property Diagram

StringGrid1
13
4
Axis
Left
Right
X/Y
Property
-click to select-
-click to select-
x
Title

x
Units

-
Minimum

0
Maximum

1
Interval

0.2
Grid
Off
Off
Off

Page 30
 628
Log
Off
Off
Off
Color
Blue
Red
Black
Line
Normal
Normal

Style
Solid
Solid

Point
None
None

-1
-1
</BinaryPropertyDiagram>
[End Settings]

[End of Input]

Page 31
 628

Vol. 21 (1982) pp. 712-717

Page 32
 628

VG-20010719/DTD/svg10.dtd">

Page 33