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CHEMCAD 6.2.0 Special PSRK Gas/Physic

Dr. Karoly Moser / NOR-PAR

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3

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METHANOL

CH3OH-Col1

Gas-Col1

CH3OH-Col2

Gas-Col2

Washout-Col1

FEED GAS

T -30.5 F

P 423.0 psia

W 143474 lb/h

T -30.3 F

P 423.9 psia

W 14524 lb/h

T -30.0 F

P 424.0 psia

W 147424 lb/h

T 95.0 F

P 427.0 psia

W 147424 lb/h

T -75.0 F

P 427.0 psia

W 10574 lb/h

T -75.0 F

P 427.0 psia

W 109904 lb/h

T -75.0 F

P 427.0 psia

W 99330 lb/h

7

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l Solvent PackageSOURCERosalyn A. Preston

MIT, Master Thesis, 1981-

A Computer Model of theProcess Using ASPEN Si

4

8

9

Washout-Col2

PRODUCT GAS

T -28.4 F

P 421.9 psia

W 109134 lb/h

T -53.4 F

P 421.0 psia

W 133669 lb/h

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2

ectisolulator

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CHEMCAD 6.2.0 Page 1

Job name: Rectisol Example Date: 1/13/2010 Time: 23:31:32

COMPONENTS

ID # Name Formula

1 1 Hydrogen H22 48 Carbon Monoxide CO

3 49 Carbon Dioxide CO2

4 2 Methane CH4

5 3 Ethane C2H6

6 22 Ethylene C2H4

7 4 Propane C3H8

8 23 Propylene C3H6

9 6 N-Butane C4H10

10 24 1-Butene C4H8

11 46 Nitrogen N2

12 50 Hydrogen Sulfide H2S

13 219 Carbonyl Sulfide COS14 102 Carbon Disulfide CS2

15 149 Thiophene C4H4S

16 113 Hydrogen Cyanide CHN

17 40 Benzene C6H6

18 62 Water H2O

19 117 Methanol CH4O

THERMODYNAMICS

K-value model : PSRK

Special PSRK Gas/Physical Solvent Package

Enthalpy model : Mixed Model

Latent heat comp: Methanol

Liquid density : Library

Std vapor rate reference temperature is 60 F.

Atmospheric pressure is 14.6959 psi.

PSRK Group Interaction Parameters:

Formula: Xij Aij + Bij * T + Cij * T * T ( T in deg K)

Grpi Grpj Aij Aji Bij Bji Cij

H2 CO 863.18 494.67 -12.309 -8.1869 0.04632

H2 CO2 3048.9 838.06 -10.247 -1.0158 0

H2 CH4 128.55 253.92 0 0 0H2 CH2 504.79 1267.12 0 0 0

H2 C=C 399.4 585 -0.5806 -0.8727 0

H2 N2 247.42 77.7 0 0 0

H2 H2S 137 628 0 0 0

H2 CS2 353.99 774.56 0 0 0

H2 ACH 16.88 734.87 0 0 0

H2 H2O 5564.1 -1531.6 -27.41 12.396 0.07115

H2 CH3OH 1084.73 437.05 0 0 0

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CO CO2 4.2 161.54 0 0 0

CO CH4 1.62 62.42 0 0 0

CO CH2 587.67 716.06 0 0 0

CO C=C -364.32 -241.56 0.8134 1.2296 0

CO N2 6.42 25.06 0.5795 -0.7726 0

CO H2S 116.97 665.7 0 0 0

CO ACH -252.61 680.05 0 0 0CO H2O -6058.1 -1665.5 31.281 13.772 -0.03308

CO CH3OH 282.66 171.2 0 0 0

CO2 CH4 73.56 196.16 0 0 0

CO2 CH2 -38.67 919.8 0.8615 -3.9132 -0.00179

CO2 C=C 148.57 -52.11 -1.1151 1.5473 0

CO2 N2 -580.82 694.28 3.6997 -3.0173 0

CO2 H2S 78.98 114.96 0 0 0

CO2 CS2 276.4 575.8 -0.3666 -0.8191 0

CO2 ACH -29.4 219.25 0 0 0

CO2 H2O 1720.6 -1163.5 -4.3437 5.4765 0.00131

CO2 CH3OH -1976.72 -142.8 14.8245 0.0454 0

CH4 CH2 516.41 316.91 0 0 0CH4 C=C 18.78 38.6 0 0 0

CH4 N2 64.11 11.86 0 0 0

CH4 H2S 511.99 278.1 -1.1761 -0.23 0

CH4 COS 271.31 -103.94 0 0 0

CH4 CS2 42.99 214.1 0 0 0

CH4 CH2S 146.01 350.68 0.0038 -0.5043 0

CH4 ACH -65.12 131.51 0 0 0

CH4 H2O -1149.1 -1573.2 5.8604 11.993 -0.00512

CH4 CH3OH 264.07 94.01 0 0 0

CH2 C=C 86.02 -35.36 0 0 0

CH2 N2 430.45 511.27 0 0 0

CH2 H2S 893.01 742.31 -3.1342 -5.7074 0.0013

CH2 COS 270.32 -171.06 0 0 0

CH2 CS2 -54.43 180.28 0 0 0

CH2 CH2S 298.62 -57.79 0 0 0

CH2 ACH 61.13 -11.12 0 0 0

CH2 H2O 1318 300 0 0 0

CH2 CH3OH 674.8 50.15 0.7396 -0.1287 0

C=C N2 -231.09 667.1 5.8221 -8.0999 -0.01655

C=C CS2 76.3 16.62 0 0 0

C=C CH2S 224.31 -62.74 0 0 0

C=C ACH 38.81 3.45 0 0 0

C=C H2O 270.6 496.1 0 0 0

C=C CH3OH 787.6 -12.52 0 0 0

N2 H2S 862.84 648.2 -2.1569 -0.3007 0N2 ACH 58.69 309.59 0 0 0

N2 H2O 1459.6 -3123.4 -7.6407 20.683 0.00945

N2 CH3OH 2389.2 190.24 0 0 0

H2S COS 75.68 229.32 0.0033 -0.5352 0

H2S CS2 14.91 162.98 0 0 0

H2S CH2S -20.81 -151.94 0 0 0

H2S ACH -98.11 49.13 0 0 0

H2S H2O -8.19 724.93 -0.2077 -0.0136 0.00013

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H2S CH3OH 700.73 -116.26 0 0 0

COS CH3OH 978.28 -24.22 0 0 0

CS2 ACH 21.5 52.07 0 0 0

CS2 H2O 1081 887.1 0 0 0

CS2 CH3OH 914.2 -31.09 0 0 0

CH2S CH3OH 420 37.63 0 0 0

HCN H2O 79.52 261.73 0 0 0HCN CH3OH -101.54 101.79 0 0 0

ACH H2O 903.8 362.3 0 0 0

ACH CH3OH 1500.1 -305.9 -2.6423 0.872 0

H2O CH3OH 289.6 -181 0 0 0

Note: (*) indicates bip from data regression or user specified.

* UNIFAC main groups H2 and COS No interaction parameters.

* UNIFAC main groups H2 and CH2S No interaction parameters.

* UNIFAC main groups H2 and HCN No interaction parameters.

* UNIFAC main groups CO and COS No interaction parameters.

* UNIFAC main groups CO and CS2 No interaction parameters.* UNIFAC main groups CO and CH2S No interaction parameters.

* UNIFAC main groups CO and HCN No interaction parameters.

* UNIFAC main groups CO2 and COS No interaction parameters.

* UNIFAC main groups CO2 and CH2S No interaction parameters.

* UNIFAC main groups CO2 and HCN No interaction parameters.

* UNIFAC main groups CH4 and HCN No interaction parameters.

* UNIFAC main groups CH2 and HCN No interaction parameters.

* UNIFAC main groups C=C and H2S No interaction parameters.

* UNIFAC main groups C=C and COS No interaction parameters.

* UNIFAC main groups C=C and HCN No interaction parameters.

* UNIFAC main groups CH2 and HCN No interaction parameters.

* UNIFAC main groups C=C and H2S No interaction parameters.

* UNIFAC main groups C=C and COS No interaction parameters.

* UNIFAC main groups C=C and HCN No interaction parameters.

* UNIFAC main groups N2 and COS No interaction parameters.

* UNIFAC main groups N2 and CS2 No interaction parameters.

* UNIFAC main groups N2 and CH2S No interaction parameters.

* UNIFAC main groups N2 and HCN No interaction parameters.

* UNIFAC main groups H2S and HCN No interaction parameters.

* UNIFAC main groups COS and CS2 No interaction parameters.

* UNIFAC main groups COS and CH2S No interaction parameters.

* UNIFAC main groups COS and HCN No interaction parameters.

* UNIFAC main groups COS and ACH No interaction parameters.

* UNIFAC main groups COS and H2O No interaction parameters.

* UNIFAC main groups CS2 and CH2S No interaction parameters.* UNIFAC main groups CS2 and HCN No interaction parameters.

* UNIFAC main groups CH2 and HCN No interaction parameters.

* UNIFAC main groups CH2S and HCN No interaction parameters.

* UNIFAC main groups CH2S and ACH No interaction parameters.

* UNIFAC main groups CH2S and H2O No interaction parameters.

* UNIFAC main groups HCN and ACH No interaction parameters.

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Cji

0.04718

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00 *

0

0

0

0

0

-0.00693

0 *

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0

0

0 *

0

0

0

0-0.01405

0 *

0

0.00463

0

0

0

0

0

-0.0026

0 *

0 *0

0

0

0

0

0

0

-0.01225

0 *

0

0 *

0.01265

0

0

0

0

0

0

0.02256

0

0

0

0

0

00

-0.01956

0

0

0

0

0

0.00106

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0 *

0 *

0

0

0

0

00

0

0

0

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CHEMCAD 6.2.0 Page 1

Job name: Rectisol Example Date: 1/14/2010 Time: 0:04:39

Calculation mode : Sequential

Flash algorithm : Normal

Equipment Calculation Sequence

1 2 3 4

No recycle loops in the flowsheet.

Overall Mass Balance lbmol/h lb/h

Input Output Input Output

Hydrogen 1909.7 1909.7 3849.573 3849.573

Carbon Monoxide 4052.9 4052.9 113521.727 113521.727Carbon Dioxide 299.1 299.1 13163.391 13163.391

Methane 471.1 471.1 7557.857 7557.857

Ethane 18.9 18.9 568.323 568.323

Ethylene 2.2 2.2 61.719 61.719

Propane 4.7 4.7 207.251 207.251

Propylene 2.2 2.2 92.578 92.578

N-Butane 1.8 1.8 104.621 104.621

1-Butene 1.6 1.6 89.771 89.771

Nitrogen 41.7 41.7 1168.184 1168.184

Hydrogen Sulfide 131 131 4463.93 4463.93

Carbonyl Sulfide 8 8 480.608 480.608

Carbon Disulfide 0.1 0.1 7.613 7.613

Thiophene 0.4 0.4 33.657 33.657

Hydrogen Cyanide 0.01 0.01 0.27 0.27

Benzene 23.1 23.1 1804.433 1804.433

Water 13.8 13.8 248.607 248.607

Methanol 3430 3430 109904.059 109904.059

Total 10412.311 10412.311 257328.188 257328.188

Overall Energy Balance MMBtu/h

Input Output

Feed Streams -622.807

Product Streams -630.105Total Heating 0

Total Cooling -7.29818

Power Added 0

Power Generated 0

Total -630.105 -630.105

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CHEMCAD 6.2.0 Page 1

Job name: Rectisol Example Date: 1/14/2010 Time: 0:02:43

FLOW SUMMARIES:

Stream No. 1 2 3 4 5 6Stream Name METHANOL CH3OH-Col1 Gas-Col2 FEED GAS Gas-Col1 Washout-Col1

Temp F -75 -75 -30.5264 95 -30 -30.3258

Pres psia 427 427 423 427 424 423.9

Enth MMBtu/h -361.72 -34.801 -264.1 -261.09 -268.39 -39.09

Vapor mole frac. 0 0 1 1 0.99249 0

Total lbmol/h 3430 330 6895.026 6982.3101 6982.31 417.2834

Total lb/h 109904.063 10573.8574 143473.6 147424.13 147424.1 14524.3955

Total std L ft3/hr 2198.9773 211.5634 3935.451 4011.6144 4011.614 287.7262

Total std V scfh 1301611.63 125227.91 2616515 2649637.5 2649638 158350.11

Flowrates in lbmol/h

Hydrogen 0 0 1909.257 1909.7 1909.7 0.4428

Carbon Monoxide 0 0 4048.75 4052.8999 4052.9 4.1499Carbon Dioxide 0 0 285.0013 299.1 299.1 14.0987

Methane 0 0 469.9488 471.1 471.1 1.1512

Ethane 0 0 18.4213 18.9 18.9 0.4787

Ethylene 0 0 2.1569 2.2 2.2 0.0431

Propane 0 0 4.1593 4.7 4.7 0.5407

Propylene 0 0 1.9476 2.2 2.2 0.2524

N-Butane 0 0 0.9367 1.8 1.8 0.8633

1-Butene 0 0 0.8365 1.6 1.6 0.7635

Nitrogen 0 0 41.6834 41.7 41.7 0.0166

Hydrogen Sulfide 0 0 103.9417 131 131 27.0583

Carbonyl Sulfide 0 0 6.7931 8 8 1.2069

Carbon Disulfide 0 0 0 0.1 0.1 0.1

Thiophene 0 0 0 0.4 0.4 0.4

Hydrogen Cyanide 0 0 0 0.01 0.01 0.01

Benzene 0 0 0 23.1 23.1 23.1

Water 0 0 0 13.8 13.8 13.8

Methanol 3430 330 1.1926 0 0 328.8073

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7 8 9CH3OH-Col2 PRODUCT GAS Washout-Col2

-75 -53.4102 -28.4063

427 421 421.9

-326.92 -244.06 -346.95

0 1 0

3100 6631.8862 3363.1399

99330.2031 133669.2813 109134.4844

1987.4141 3731.1818 2191.6831

1176383.75 2516659 1276239.75

0 1905.7864 3.4708

0 4021.3911 27.35890 181.0386 103.9627

0 461.6727 8.2761

0 15.0534 3.3679

0 1.8546 0.3024

0 0.7707 3.3886

0 0.3834 1.5641

0 0.0001 0.9366

0 0.0001 0.8364

0 41.5542 0.1292

0 1.4032 102.5385

0 0.58 6.2131

0 0 0

0 0 0

0 0 0

0 0 0

0 0 0

3100 0.3977 3100.7949

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CHEMCAD 6.2.0 Page 1

Job name: Rectisol Example Date: 1/14/2010 Time: 0:13:16

EQUIPMENT SUMMARIES

Scds Rigorous Distillation Summary

Equip. No. 3 4

Name

No. of stages 6 6

1st feed stage 1 1

2nd feed stage 6 6

Colm press drop psi 0.9 0.9

Est. dist. rate 6900.52 6680.9609

(lbmol/h)

Est. T top F -53.0734 -58.9663

Est. T bottom F -30.5734 -36.7295

Top pressure psia 423 421Initial flag 6 6

Calc Reflux mole 366.8842 3254.0242

(lbmol/h)

Calc Reflux mass lb/h 11940.5654 105198.844

Optimization flag 1 1

Calc. tolerance 0.0516 0.0702

Divider Summary

Equip. No. 2

Name

Split based on 1

Output stream #1 3100

Heat Exchanger Summary

Equip. No. 1

Name

1st Stream dp psi 3

1st Stream T Out F -30

Calc Ht Duty MMBtu/h -7.2982LMTD Corr Factor 1

1st Stream Pout psia 424