Welcome to XSEOS

Version 12.10.21

XSEOS is an Excel add-in to compute thermodynamic prop
using excess Gibbs free energy models and equations of st
Copyright (C) 2008-12 Marcelo Castier

This program is free software: you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation, either version 3 of the License, or
(at your option) any later version.

This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.

Please refer to the Worksheet "GNU GPL License" for the license te

Developed by:
Marcelo Castier
Chemical Engineering Program
Texas A & M University at Qatar
PO Box 23874
Doha, Qatar
E-mails: marcelo.castier@qatar.tamu.edu mcastier@gmail.com

Correlations for properties of oil fractions adapted
from Fortran codes written by Geraldo L. Rochocz

Patel-Teja-Valderrama equations implemented and
and tested in collaboration with Ricardo F. Checoni

Electrolattice equations of state implemented and
and tested in collaboration with Ricardo F. Checoni and Andre Zube

Initial development at:
Department of Chemical and Petroleum Engineering

United Arab Emirates University
P.O. Box 17555
Al Ain, United Arab Emirates

hermodynamic properties
and equations of state.

E. See the

ense" for the license text.

castier@gmail.com

econi and Andre Zuber

Physical properties from the Mattedi-Tavares-Castier (MTC) Equation of State

Reference:
Mattedi, S., Tavares, F. W., Castier, M., 2002. High pressure phase equilibrium calculations for hydrocarbon systems
using an equation of state based on the lattice fluid theory. Fluid Phase Equilibria 194, 599–607.

Color convention: Cells such as this one are problem specifications.

Other numeric cells are results of calculations.

Vapor pressure of Nitrogen

R (bar.cm3/(mol.K)) 83.14

Group 1
Vinf (cm3/mol) 20.204
Qa 3.347
B (Kelvin) 9.268
u00 (Kelvin) -152.118
Nitrogen 1 Group description of Nitrogen: 1 N2.

x T (K) P (bar) ln phi liquid
1 70 0.4019300257 -0.0395814312
1 75 0.7792109651 -0.0581658661
1 80 1.3865558109 -0.0807537709
1 85 2.3024551327 -0.1071479413
1 90 3.6131148318 -0.1370690769
1 95 5.4102989185 -0.1701785939
1 100 7.789508293 -0.2061284691
1 105 10.8483338081 -0.2445659058
1 110 14.6852625742 -0.2851586651
1 115 19.3985862545 -0.3275923565
1 120 25.0856959015 -0.3715803627
1 122 27.6547795492 -0.389552831
1 123 29.0053345881 -0.3986096745
1 124 30.4 -0.407687557

35

30

25
Pressure (bar)

20

15

10

5

0
60 70 80 90 100 110 120 130

Temperature (K)

Pres
10

5

0
60 70 80 90 100 110 120 130

Temperature (K)

Speed of Sound in Nitrogen

R (bar.cm3/(mol.K)) 83.14

Group 1
Vinf (cm3/mol) 125.32
Qa 40.26
B (Kelvin) 69.90
u00 (Kelvin) - 999.99
Nitrogen 1.00 Group description of Nitrogen: 1 N2.

Molar mass (g/mol) 149.19
Molar mass (kg/mol) 0.15
Ideal gas cp coefficients

Spreadsheet
formula
x Temperature (K) Pespec (bar) cpig (J/(mol.K))
1 283.1495 1.0132 -5.29E+00

1.077097

calculado

14 .K)) 83. 2000 1800 1600 Speed of sound (m/s) 1400 1200 1000 800 600 400 200 100 120 140 160 180 200 220 240 260 280 Temperature (K) Speed of Sound in Oxygen R (bar.cm3/(mol.

0132 29.176 Qa 2.841 B (Kelvin) 17.0132 29.613 1 185 1.393 1 305 1.0132 29.0132 28.318 1 295 1.0132 29.0132 28.001 1 250 1.0132 28.513 1 165 1.031999 Ideal gas cp coefficients Spreadsheet formula x Temperature (K) Pespec (bar) cpig (J/(mol.489 1 160 1.537 1 170 1.872 1 230 1.0132 29.244 1 285 1.508 1 320 1.587 1 330 1.0132 28.355 1 300 1.0132 29.466 1 155 1.0132 28.068 1 260 1.208 1 280 1.0132 28.999 Molar mass (kg/mol) 0.722 1 205 1.694 1 200 1.548 1 325 1.0132 28.0132 29.0132 29.0132 29. Group 1 Vinf (cm3/mol) 19.0132 28.034 1 255 1.751 1 210 1.431 1 310 1.0132 29.0132 29.0132 28.0132 29.935 1 240 1.0132 28.0132 29.0132 28. Molar mass (g/mol) 31.172 1 275 1.0132 29.0132 28.137 1 270 1.0132 28.841 1 225 1.281 1 290 1.594 u00 (Kelvin) -192.102 1 265 1.781 1 215 1.186 Oxygen 1 Group description of Oxygen: 1 O2.587 1 180 1.0132 29.0132 28.968 1 245 1.639 1 190 1.469 1 315 1.0132 29.667 1 195 1.627 .0132 28.0132 29.562 1 175 1.0132 28.K)) 1 150 1.0132 28.810 1 220 1.0132 29.903 1 235 1.0132 28.0132 28.

0132 30.833 1 360 1.0132 29.132 1 395 1.0132 29.959 1 375 1.045 1 385 1.791 1 355 1.917 1 370 1.709 1 345 1.668 1 340 1.089 1 390 1.0132 30.0132 30.0132 29.0132 29. 1 335 1.750 1 350 1.0132 29.0132 29.221 400 380 360 340 Speed of sound (m/s) 320 300 280 260 240 220 200 100 150 200 250 300 350 400 4 Temperature (K) .0132 30.002 1 380 1.0132 29.0132 30.0132 29.0132 30.875 1 365 1.176 1 400 1.

71139838253976E-07 #NAME? #NAME? #NAME? -0.0807532997 -4.000007993 #NAME? #NAME? #NAME? 6000 5500 5000 Enthalpy of vaporizaton (J/mol) 4500 4000 3500 3000 2500 2000 1500 120 130 1000 60 70 80 90 100 110 120 130 .6764077176722E-07 #NAME? #NAME? #NAME? -0.1071487643 0.11485811880175E-08 #NAME? #NAME? #NAME? -0.2810081991625E-07 #NAME? #NAME? #NAME? -0.8050447172018E-07 #NAME? #NAME? #NAME? -0.5814848689531E-07 #NAME? #NAME? #NAME? -0.2445655476 -3.0985427192436E-07 #NAME? #NAME? #NAME? -0.01279992906711E-07 #NAME? #NAME? #NAME? -0.285157837 -8.8813044151739E-07 #NAME? #NAME? #NAME? -0.000000823 #NAME? #NAME? #NAME? -0.1370684756 -6.3715796746 -6.039581991 5.35376454327252E-07 #NAME? #NAME? #NAME? -0.3275914466 -9.000000957 #NAME? #NAME? #NAME? -0.389551874 -0.3986094068 -2.for hydrocarbon systems ln phi vapor difference in ln phi grrtl hrrtl srrl -0.40769555 0.2061276886 -7.59863469362654E-07 #NAME? #NAME? #NAME? -0.1701785127 -8.0581661015 2.

36E-02 2.53E-06 These 4 columns were calculated with array function mtcsoundspeedv.077097 . 3000 Enthalpy of va 2500 2000 1500 120 130 1000 60 70 80 90 100 110 120 130 Temperature (K) 31.00721963 1. These columns were calculated u rho (mol/cm3) dpdrho (bar/(mol/cm3)) cprr (K) dPdT (bar/K) rho (mol/m3) #NAME? #NAME? #NAME? #NAME? 7219.0705845984 -1.6146549971 0.68E-05 -1.

240 260 280 300 .

28. These columns were calculated u rho (mol/cm3) dpdrho (bar/(mol/cm3)) cprr (K) dPdT (bar/K) rho (mol/m3) #NAME? #NAME? #NAME? #NAME? 81.746E-05 -1.065E-08 These 4 columns were calculated with array function mtcsoundspeedv.3375644301 #NAME? #NAME? #NAME? #NAME? 40.9408633244 #NAME? #NAME? #NAME? #NAME? 79.0525544636 #NAME? #NAME? #NAME? #NAME? 41.9783491376 #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .2224673703 #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? 42.680E-06 1.6465600571 #NAME? #NAME? #NAME? #NAME? 39.11 -3.

#NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? 30.4684070465 400 450 .

cprrl grrtv hrrtv srrv #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .

4075149367 .306442865 582.umns were calculated using spreadsheet formulas dPdrho (Pa/(mol/m3)) cprr (K) dPdT (Pa/K) cp residual (J/(mol.K) 459889.0514210893 107505.530444641 70.

Comparison with other calculations and data from the literature. .

071951796 666.0542650818 2532.K) 1225.2907906674 0.6890785805 1269.0828817152 690.0065269524 338.umns were calculated using spreadsheet formulas dPdrho (Pa/(mol/m3)) cprr (K) dPdT (Pa/K) cp residual (J/(mol.4513461906 0.5145311104 0.0072647288 350.9301558921 0.3453424935 0.0068816744 344.2181226842 0.2821441883 0.060398955 2449.6748687656 0.0515294584 #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .057214241 2491.2691111301 0.9758521231 0.944333786 0.0061979142 332.5982072321 #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? 2407.2249807283 0.

0229740925 Comparison with other calculations and data from the literature. #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? 3325. .5687996625 0.2248491011 0.002763302 253.

cprrv hvaporization/(RT) hvaporization(J/mol) #NAME? 9.5421323526 5553.3301865949 #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .

94000 .934360911 1.0002366092 1755.9822173816 1.65E-11 sound speed exp (m/s) 1755.K)) cv (J/(mol.K)) gamma=cp/cv sound speed (m/s) 5.cp (J/(mol.77E+02 576.

.

424135377 233.0577940458 1.K)) cv (J/(mol.5838485248 29.094510042 1.3951761718 332.4470110818 21.1554328305 20.0215777049 1.4824551022 21.377974905 21.3959561527 329.4723745385 1.0874540634 20.K)) gama=cp/cv sound speed (m/s) 29.6655476344 29.1317077362 1.cp (J/(mol.3241072285 #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .4121743473 21.3975152254 324.5365238655 #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? 29.9816149462 29.2716569034 29.4478251076 1.4225206794 237.3967357779 326.

7205036076 . #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? 30.9118504027 1.3802349659 378.2435020925 21.

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0904897355 1 0 1.2167 0.5539 0.3956 0.3196 0.1686 0.1471587404 0.1506464987 0.1527209407 0.4718 0.15 r 1.5898394E-16 . use R=1 in the spreadsheet.92 q 1.6961399 358. It is common to report UNIQUAC binary interaction param In this case.1218441457 0.3039 0.432 1.4461 0.2224 0.771561E-16 0. x1exp x2exp ge/RT 0 1 -7.7255 0.550089 0 The first five columns are experimental data for the mixture.4 Binary interactions 0 -213.1428062734 0.7833 0.1043990948 0.4311 0.2745 0.5282 0.6961 0.7776 0.3681 0.1357249984 0. otherwise use u methanol(1)+water(2) R T(K) 1 333.6319 0.6804 0.1189501625 0.6044 0.8314 0.1066737659 0.

02 0 0 0. Energia livre de ativação 0. dsheet.1 0.4 0.5 0. a21/R.06 0. otherwise use units compatible with the aij values. a for the mixture.02 .08 0.3 0.16 0.8 0.2 0. etc… in Kelvin.1 0.9 1 -0.6 0.04 0.12 0.binary interaction parameters as a12/R.7 0.14 0.18 0.

hr/(RT). and molar mass of oil fractions b. In the case of the most popular models.x.04. Other models implemented in XSEOS are commonly used by the oil/gas/chemical industry and are discussed in ma Given that XSEOS is primarily intended for education and access to scientific journals may not be immediate for all reference to a textbook was preferred in these cases.29: (a) fixed r and q values of methanol in the UNIQUAC sheet. acentric factor.11. (c) included reference to the MTC equation of state 8.1: Whitson interpolation functions b. 9. (b) included specific functions for each EOS that interface the function eosresidual.24 (a) uses a less tight convergence criterion in the EOS root-finding procedure to reduce numerical crashes. 8. Version history: 7.Notes and comments Literature references: Some of the models implemented in XSEOS are relatively new and are not discussed in textbooks.22 (a) enhanced compatibility with Excel 2007.29: (a) included function eosresidual to compute gr/(RT).v.01. 8. (b) included the following methods to predict Tc. as example.01.. critical pressure. and acentric factor of oil fractions .17: (a) fixed function rkp (previously called srkp by mistake) (b) included Margules model. sr/R. many textbooks actu but a single reference is provided. In such cases. and cpr/R given T. references to scientific journals are provided.01 (a) included several methods to predict critical temperature.05.3: Edminster correlation for acentric factor 8.20 (a) included a version of the Peng-Robinson EOS with a quadratic mixing rule for the b-parameter. Pc. 8.04. (b) fixed a comment about isenthalpic expansion in the SRK worksheet.09.2: Kesler-Lee correlations b.

Acknowledgements to Dema Almasri and Mary Katebah (TAMUQ students) and Dr.12 (a) corrected the temperature used to compute the properties of stream III in the adiabatic mixing example of the UNIQ 10. for spotting . Peng-Robinson.05.13 (a) included the Patel-Teja-Valderrama and the electrolattice equations of state 11. This required several code changes to include the optional argument "extracells" in several Subs and Functions.21 (a) Removed DLL calls forgotten inside the package after some experimental runs.11. Chemical Engineering Department.04. Soave-Redlich-Kwong.10.11.10.10.03. Ali Khalaf Al-matar.13 (a) The van der Waals. Aaron Scurto (University of Kan 12. University of Jordan. 10.17 (a) included the parachor.22 (a) the surface tension examples were moved to a separate file because they were slowing down all spreadsheet calc 10. and Danesh methods to predict surface tension (b) included functions to compute liquid or vapor molar volume with each equation of state 10.04 (a) included an extended Peng-Robinson model for confined fluids.9.20 (a) Two versions of the electrolattice equation of state were implemented: with ions of equal diameter and of unequal d 12. Miqueu.10.11 (a) included an option to compute EOS properties with the root that gives the lowest value of the molar Gibbs energy a 11. Redlich-Kwong. Acknowledgements to Dr. Stryjek-Vera equations of state were r They now return the residual entropy divided by R.

M. x1 x2 lngama(1) lngama(2) gama(1) 0 1 #NAME? #NAME? 1.M. van Ness.C. McGraw-Hill.. with spreadsheet formulas. and Abbott write the Margules equation in a form different from the one above. There cannot be used directly and must be converted to the above representation. (3) To use Margules 3-suffix formula. Poling The Properties of Gases and Liquids 4th ed.7007 B -233.2 0.C. R. set the value of C to zero. Abbott.74 C 0 These 2 columns were calculated These two columns were calculated with array function margules.8 #NAME? #NAME? #NAME? 0. Introduction to Chemical Engineering Thermodynam Comment: Smith.Calculation of activity coefficients and excess properties in binary mixtures using the 2-. Comments about the Margules model: (1) Unlike other models in XSEOS. and M.4506329813 0.15 0. New York. J.85 #NAME? #NAME? #NAME? 0.05 0. The values of parameters Universal gas constant and temperature R (J/(mol.9 #NAME? #NAME? #NAME? 0.95 #NAME? #NAME? #NAME? 0.1 0. Prausnitz. 1987 g E x1 x2  RT RT  A  B  x1  x2   C  x1  x2  2  methyl ethyl ketone(1)+toluene(2) Example taken from Smith.25 0. J. the Margules model is implemented for binary mixtures only. 1987. H..15 Model parameters A 765. Color convention: Cells such as this one are problem specifications. Other numeric cells are results of calculations.E. 3- Reference: Reid. van Ness.M. set the values of B and C to zero.75 #NAME? #NAME? #NAME? .314 T (K) 323. (2) To use Margules 2-suffix formula.. (4) Acitivity coefficients were derived from the following form of the Margules molar excess Gibbs free energy (Reid et al. and B.K)) 8..

55 0.65 0.05 #NAME? #NAME? #NAME? 1 0 #NAME? #NAME? #NAME? The values highlighted with a pink background are the activity coefficients of methyl ethyl ketone(1) and toluene(2) at They are in perfect agreement with the values reported by Smith. and Abbott.45 0.7 #NAME? #NAME? #NAME? 0. van Ness.3 #NAME? #NAME? #NAME? 0.6 #NAME? #NAME? #NAME? 0.35 0.4 #NAME? #NAME? #NAME? 0.2 #NAME? #NAME? #NAME? 0. 0. .5 0.55 #NAME? #NAME? #NAME? 0.95 0.65 #NAME? #NAME? #NAME? 0.45 #NAME? #NAME? #NAME? 0.1 #NAME? #NAME? #NAME? 0.9 0.7 0.85 0.8 0.5 #NAME? #NAME? #NAME? 0.4 0.6 0.75 0.3 0.25 #NAME? #NAME? #NAME? 0.15 #NAME? #NAME? #NAME? 0.35 #NAME? #NAME? #NAME? 0.

1987): to Chemical Engineering Thermodynamics.McGraw-Hill. The values of parameters A and B below represent these conversions. rm different from the one above. Therefore. wo columns were calculated These 4 columns were calculated readsheet formulas. 6th ed. page 424. gama(2) ge/(RT) he/(RT) se/R cpe/R 1 #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .or 4-suffix Margules model xcess Gibbs free energy (Reid et al.. 3.inary mixtures using the 2-. the parameters they provide presentation.. with array function margulesxs.

. #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? methyl ethyl ketone(1) and toluene(2) at infinite dilution.

36 0.84 #NAME? #NAME? #NAME? 0.46 0.88 #NAME? #NAME? #NAME? 0.62 #NAME? #NAME? #NAME? 0.54 #NAME? #NAME? #NAME? 0. McGraw-Hill.5 #NAME? #NAME? #NAME? .5 n-octane 164 15.2 0.0255452372 0. with spreadsheet formulas.Calculation of activity coefficients and excess properties using Regular Solution Theory Reference: Reid.34 0.6 #NAME? #NAME? #NAME? 0.5 0.24 0.9 #NAME? #NAME? #NAME? 0.98 #NAME? #NAME? 1.3 These 2 columns were calculated These two columns were calculated with array function regsol.42 0.58 #NAME? #NAME? #NAME? 0.94 #NAME? #NAME? #NAME? 0.7 #NAME? #NAME? #NAME? 0.48 0.56 #NAME? #NAME? #NAME? 0.8 #NAME? #NAME? #NAME? 0.74 #NAME? #NAME? #NAME? 0. Color convention: Cells such as this one are problem specifications.86 #NAME? #NAME? #NAME? 0.18 0.314 T (K) 344 Model parameters v(cm3/mol) delta (J/cm3)^(1/2) n-pentane 116 14.72 #NAME? #NAME? #NAME? 0...06 0. J.82 #NAME? #NAME? #NAME? 0.32 0.68 #NAME? #NAME? #NAME? 0. 1987.1 0.12 0.M.02 0.4 0.28 0. Universal gas constant and temperature R (J/(mol.0262977371 0.08 0.04 0. x(n-pentane) x(n-octane) lngama(n-pentane) lngama(n-octane) gama(n-pentane) 0 1 #NAME? #NAME? 1.64 #NAME? #NAME? #NAME? 0.52 #NAME? #NAME? #NAME? 0.76 #NAME? #NAME? #NAME? 0.14 0. Poling The Properties of Gases and Liquids 4th ed.3 0. New York.92 #NAME? #NAME? #NAME? 0.K)) 8. R.78 #NAME? #NAME? #NAME? 0.66 #NAME? #NAME? #NAME? 0.C. Other numeric cells are results of calculations.26 0.96 #NAME? #NAME? #NAME? 0.16 0. and B.22 0.38 0. Prausnitz.E.44 0.

94 0.54 0.4 0.88 0.9 0.7 0.56 0.6 0.62 0.1 #NAME? #NAME? #NAME? 0.74 0.78 0.48 #NAME? #NAME? #NAME? 0.1 0.0.46 #NAME? #NAME? 1.06 #NAME? #NAME? #NAME? 0.08 #NAME? #NAME? #NAME? 0.5 0.92 0.96 0.6 0.26 #NAME? #NAME? #NAME? 0.64 0.0077784834 0.44 #NAME? #NAME? #NAME? 0.34 #NAME? #NAME? #NAME? 0.82 0.14 #NAME? #NAME? #NAME? 0.42 #NAME? #NAME? #NAME? 0.8 0.18 #NAME? #NAME? 1.58 0.2 #NAME? #NAME? #NAME? 0.84 0.22 #NAME? #NAME? #NAME? 0.32 #NAME? #NAME? #NAME? 0.52 0.86 0.98 0.38 #NAME? #NAME? #NAME? 0.36 #NAME? #NAME? #NAME? 0.72 0.16 #NAME? #NAME? #NAME? 0.4 #NAME? #NAME? #NAME? 0.02 #NAME? #NAME? #NAME? 1 0 #NAME? #NAME? #NAME? 12 10 8 6 4 2 0 0 0.7 Mole fraction n-pentane 12 10 RT) .3 #NAME? #NAME? #NAME? 0.0014571476 0.12 #NAME? #NAME? #NAME? 0.2 0.04 #NAME? #NAME? #NAME? L o g a r ith m o f a c tiv ity c o e ffic ie n t 0.3 0.66 0.24 #NAME? #NAME? #NAME? 0.68 0.28 #NAME? #NAME? #NAME? 0.76 0.

12 10 ge/(RT) 8 6 4 2 0 0 0.4 0.6 Mole fraction of n-pentane .5 0.1 0.3 0.2 0.

gama(n-octane) ge/(RT) he/(RT) se/R cpe/R 1 #NAME? #NAME? #NAME? #NAME? 1.using Regular Solution Theory wo columns were calculated These 4 columns were calculated with array function regsolxs.000007431 #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? . eadsheet formulas.

5 0.0075812071 #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? 1.7 0.9 1 fraction n-pentane . #NAME? #NAME? #NAME? #NAME? #NAME? 1.0216039775 #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? n-pentane n-octane 0.8 0.6 0.

5 0.4 0.7 0.9 1 Mole fraction of n-pentane . 0.6 0.8 0.

26 0.12 0.9 #NAME? #NAME? 0.64 #NAME? #NAME? 0.76 #NAME? #NAME? 0.52 #NAME? #NAME? 0.5 #NAME? #NAME? 0.66 #NAME? #NAME? 0. x1 x2 lngama(1) lngama(2) 0 1 #NAME? #NAME? 0.1 0. R.8 #NAME? #NAME? 0.58 #NAME? #NAME? 0.52 0.36 0.92 #NAME? #NAME? 0.3 0.1 0.48 #NAME? #NAME? . R (cal/(mol.14 0.82 #NAME? #NAME? 0.C.74 #NAME? #NAME? 0.84 #NAME? #NAME? 0. Poling The Properties of Gases and Liquids 4th ed.48 0.Calculation of activity coefficients and excess properties using the Flory-Huggins model Reference: Reid.86 #NAME? #NAME? 0.5 0.56 #NAME? #NAME? 0.98 #NAME? #NAME? 0. New York.28 0.72 #NAME? #NAME? 0.44 0.78 #NAME? #NAME? 0.22 0.18 0..4 0.68 #NAME? #NAME? 0.02 0. Color convention: Cells such as this one are problem specifications.38 0. Other numeric cells are results of calculations.E.7 #NAME? #NAME? 0.46 0.62 #NAME? #NAME? 0. and B.K)) T(K) 1.1 0 These 2 columns were calculated with array function fh.6 #NAME? #NAME? 0. 1987.06 0.42 0. Prausnitz.04 0..16 0.96 #NAME? #NAME? 0.987 344 Size parameter 1 5 Chi parameter (symmetrical matrix) 0 0.24 0.88 #NAME? #NAME? 0.54 #NAME? #NAME? 0. McGraw-Hill.32 0.M.08 0. J.34 0.94 #NAME? #NAME? 0.2 0.

96 0.4 0.88 0.04 #NAME? #NAME? L o g a rith m o f a c tiv ity c o e ffic ie n t 0.76 0.26 #NAME? #NAME? 0.02 #NAME? #NAME? 1 0 #NAME? #NAME? 12 10 8 6 4 2 0 0 0.82 0.2 #NAME? #NAME? 0.8 0.42 #NAME? #NAME? 0.78 0.16 #NAME? #NAME? 0.58 0.38 #NAME? #NAME? 0. 0.14 #NAME? #NAME? 0.62 0.86 0.32 #NAME? #NAME? 0.68 0.36 #NAME? #NAME? 0.7 0.18 #NAME? #NAME? 0.64 0.56 0.06 #NAME? #NAME? 0.12 #NAME? #NAME? 0.3 0.24 #NAME? #NAME? 0.1 0.94 0.74 0.2 0.54 0.1 #NAME? #NAME? 0.5 Mole fraction of comp .3 #NAME? #NAME? 0.22 #NAME? #NAME? 0.98 0.72 0.34 #NAME? #NAME? 0.6 0.28 #NAME? #NAME? 0.08 #NAME? #NAME? 0.4 #NAME? #NAME? 0.9 0.44 #NAME? #NAME? 0.46 #NAME? #NAME? 0.92 0.66 0.84 0.

2 0 0 0.3 0.4 0.1 0.2 0.3 0.4 0.5 Mole fraction of comp 12 10 ge/(RT) 8 6 4 2 0 0 0.5 0.2 0.1 0.6 Mole fraction of compone .

4978920868 0.-Huggins model ecifications.9998774891 #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? . gama(1) gama(2) ge/(RT) he/(RT) se/R cpe/R 0.4919206222 1 #NAME? #NAME? #NAME? #NAME? 0. These two columns were calculated These 4 columns were calculated with array function fhxs. with spreadsheet formulas.

#NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? Component 1 Component 2 0.9 1 Mole fraction of component 1 .7 0.5 0.8 0.6 0.4 0.

8 0.4 0.8 0.7 0.9 1 ole fraction of component 1 .9 1 Mole fraction of component 1 0.5 0.6 0.6 0.7 0.4 0. 0.5 0.

Prausnitz.44 0.86 #NAME? 0.96 #NAME? 0.48 0.28 0.M.78 #NAME? 0.01 0 These 2 columns were calculated with array function wilson..24 0.36 0.22 0.94 #NAME? 0.76 #NAME? 0. Poling The Properties of Gases and Liquids 4th ed. New York.3 0.2 0.6 #NAME? 0.84 #NAME? 0.38 0.02 0.16 0. 1987.34 0.06 0. McGraw-Hill.27 1448.C.92 #NAME? 0.E..56 #NAME? 0. x1 x2 lngama(1) 0 1 #NAME? 0.82 #NAME? 0.52 #NAME? .05 18. and B.07 Binary interactions (cal/mol) 0 291.1 0.4 0.Calculation of activity coefficients and excess properties using the Wilson model Reference: Reid.14 0.54 #NAME? 0.08 0.72 #NAME? 0.64 #NAME? 0.987 344 V (cm3/mol) 74.62 #NAME? 0.98 #NAME? 0.04 0.88 #NAME? 0.9 #NAME? 0.8 #NAME? 0.18 0. R.42 0. J.68 #NAME? 0.74 #NAME? 0.46 0. Color convention: Cells such as this one are problem specifications.66 #NAME? 0.32 0.7 #NAME? 0. Acetone(1)+Water(2) R (cal/(mol.K)) T(K) 1.26 0. Other numeric cells are results of calculations.58 #NAME? 0.12 0.

16 #NAME? 0.32 #NAME? 0.K)) T(K) 1.24 #NAME? 0.86 0.66 0.94 0.18 #NAME? 0.08 #NAME? 0.04 #NAME? 0.2167 0.1: Smith.84 0.8 0.12 #NAME? 0.4461 0.7833 0.52 0.987 333.62 0.98 0. and Abbott.7 0.6268 0.68 0.07 Binary interactions 0 200 600 0 The first five columns are experimental data for the mixture.3039 0.82 0.5 0.14 #NAME? 0.56 0.72 0.73 18.36 #NAME? 0.88 0.46 #NAME? 0.9 0. 0.54 0.02 #NAME? 1 0 #NAME? Parameter fitting in the Wilson model from vapor-liquid equilibrium data using Excel Solver Modified version of problem 12.7742 .5 #NAME? 0.1686 0.76 0.2 #NAME? 0.4 #NAME? 0.3681 0.6943 0.78 0. van Ness.38 #NAME? 0.15 Molar volume (cm3/mol) 40.26 #NAME? 0.42 #NAME? 0.6319 0.48 #NAME? 0.5714 0.34 #NAME? 0.74 0. Introduction to Chemical Engineering Thermodynamic Objective: Fit the binary interaction parameters of the Wilson model using experimental vapor-liquid equilibrium data minimizing the summ methanol(1)+water(2) R (cal/(mol.8314 0.44 #NAME? 0.92 0.22 #NAME? 0.6 0.64 0.1 #NAME? 0. x1exp x2exp y1exp 0 1 0 0.3 #NAME? 0.28 #NAME? 0.58 0.7345 0.5539 0.06 #NAME? 0.96 0.6961 0.

2745 0.6044 0.7776 0.7255 0.2224 0.4718 0.3196 0.8922 0.0.6804 0.8383 0.8085 0.9141 1 0 1 .3956 0.8733 0.5282 0.

ls are results of calculations. lngama(2) gama(1) gama(2) ge/(RT) he/(RT) #NAME? 10. e 2 columns were calculated These two columns were calculated These 4 columns were calculated with array function wilso array function wilson.4224359009 1 #NAME? #NAME? #NAME? 8.0020636842 #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? . with spreadsheet formulas.g the Wilson model one are problem specifications.4573411015 1.

6th edition. 2001 (reference to the data points available there).953 #NAME? #NAME? 3.852 #NAME? #NAME? #NAME? 0.3342976779 0.953 ntal data for the mixture.562 P2sat 19.4286 39.704841713 #NAME? #NAME? brium data using Excel Solver Chemical Engineering Thermodynamics. Mc-Graw-Hill.0581773475 2.652 #NAME? #NAME? #NAME? . Pure component vapor pressures P1sat 84.223 #NAME? #NAME? #NAME? 0. #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? 1. y2exp Pexp(kPa) lngama1 lngama2 gama1 1 19.784 #NAME? #NAME? #NAME? 0.984 #NAME? #NAME? #NAME? 0.8032722819 #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? 1 4.2655 52. These 2 columns were calculated These final columns were calculated wit with array function wilson.3057 48. uid equilibrium data minimizing the summation of the squared difference between experimental and calculated pressures.3732 42.2258 56.

1617 63.0859 72.924 #NAME? #NAME? #NAME? 0.832 #NAME? #NAME? #NAME? 0 84.1915 60.562 #NAME? #NAME? #NAME? .0.1267 67.229 #NAME? #NAME? #NAME? 0.998 #NAME? #NAME? #NAME? 0.614 #NAME? #NAME? #NAME? 0.1078 70.

calculated with array function wilsonxs. se/R cpe/R #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .

final columns were calculated with spreadsheet formulas. lculated pressures. #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? oints available there).953 0 0 0 1 #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? . gama2 Pcalc(kPa) deltaP deltaP^2 y1calc y2calc 1 19.

599400559 Hint: use Solver to minimize the objective function cell changing the two cells that correspond to the binary interaction parameters of the Wilson model. .#NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? Objective function: Sum(deltaP^2) 210.

98 #NAME? #NAME? 0.Calculation of activity coefficients and excess properties using the TK-Wilson model Color convention: Cells such as this one are problem specifications.38 0.987 344 V (cm3/mol) 74.05 18.26 0. x1 x2 lngama(1) lngama(2) 0 1 #NAME? #NAME? 0.86 #NAME? #NAME? 0.3 0.8 #NAME? #NAME? 0.68 #NAME? #NAME? 0.18 0.42 0.46 0.42 #NAME? #NAME? .9 #NAME? #NAME? 0.6 #NAME? #NAME? 0.08 0.56 0.48 #NAME? #NAME? 0.24 0.58 0.12 0.28 0.2 0.27 1448.58 #NAME? #NAME? 0.02 0.44 0.07 Parameters for a hypothetical mixture Binary interactions (cal/mol) 0 291. R (cal/(mol.52 #NAME? #NAME? 0.94 #NAME? #NAME? 0.16 0.82 #NAME? #NAME? 0.46 #NAME? #NAME? 0.66 #NAME? #NAME? 0.5 0.34 0.04 0.06 0.1 0.54 #NAME? #NAME? 0.5 #NAME? #NAME? 0.48 0.32 0.88 #NAME? #NAME? 0.14 0.72 #NAME? #NAME? 0.78 #NAME? #NAME? 0.44 #NAME? #NAME? 0.96 #NAME? #NAME? 0.7 #NAME? #NAME? 0.36 0.76 #NAME? #NAME? 0.92 #NAME? #NAME? 0.62 #NAME? #NAME? 0.K)) T(K) 1.56 #NAME? #NAME? 0.54 0.74 #NAME? #NAME? 0.01 0 These 2 columns were calculated with array function tkwilson.22 0. Other numeric cells are results of calculations.52 0.4 0.64 #NAME? #NAME? 0.84 #NAME? #NAME? 0.

3 #NAME? #NAME? 0.66 0.38 #NAME? #NAME? 0.86 0. 0.02 #NAME? #NAME? 1 0 #NAME? #NAME? .92 0.06 #NAME? #NAME? 0.34 #NAME? #NAME? 0.82 0.74 0.24 #NAME? #NAME? 0.72 0.18 #NAME? #NAME? 0.78 0.62 0.76 0.68 0.4 #NAME? #NAME? 0.14 #NAME? #NAME? 0.9 0.8 0.22 #NAME? #NAME? 0.32 #NAME? #NAME? 0.98 0.08 #NAME? #NAME? 0.26 #NAME? #NAME? 0.64 0.12 #NAME? #NAME? 0.04 #NAME? #NAME? 0.16 #NAME? #NAME? 0.28 #NAME? #NAME? 0.36 #NAME? #NAME? 0.88 0.2 #NAME? #NAME? 0.6 0.84 0.94 0.7 0.1 #NAME? #NAME? 0.96 0.

3411825569 1 #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? . gama(1) gama(2) ge/(RT) he/(RT) se/R 56. eters for a hypothetical mixture These two columns were calculated These 4 columns were calculated with array function tkwilsonxs. with spreadsheet formulas. calculations.he TK-Wilson model m specifications.

#NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .

ay function tkwilsonxs. cpe/R #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .

#NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .

46 #NAME? 0.52 0.46 0.74 #NAME? 0.42 #NAME? 0.56 0.96 #NAME? 0.36 0.1 0.987 333.66 #NAME? 0.7 #NAME? 0.78 #NAME? 0.52 #NAME? 0.2 0.88 #NAME? 0.5 0.8 #NAME? 0.E.58 0.3 0. and B. Prausnitz.98 #NAME? 0. J.12 0.82 #NAME? 0. R.4 0.14 0.24 0.9 #NAME? 0.15 alfa 0.86 #NAME? 0. New York.3 840. Color convention: Cells such as this one are problem specifications. Other numeric cells are results of calculations.76 #NAME? 0. McGraw-Hill.34 0.32 0.92 #NAME? 0.M.48 #NAME? 0.56 #NAME? 0.6 0.84 #NAME? 0.8 0 These 2 columns were calculated with array function nrtl.54 #NAME? 0.4 #NAME? . Poling The Properties of Gases and Liquids 4th ed. R (cal/(mol.26 0.6 #NAME? 0.5 #NAME? 0.42 0.3 0.Calculation of activity coefficients and excess properties using the NRTL model Reference: Reid.02 0..08 0.3 Binary interactions (cal/mol) 0 -270.48 0.18 0.22 0.72 #NAME? 0.C.38 0.94 #NAME? 0.04 0. 1987.K)) T(K) 1.64 #NAME? 0.16 0.44 0. x1 x2 lngamma(1) 0 1 #NAME? 0.58 #NAME? 0.44 #NAME? 0.3 0.28 0.3 0.54 0.68 #NAME? 0.06 0.62 #NAME? 0..

26 #NAME? 0.92 0.8 0.96 0.94 0. van Ness.2 0.06 #NAME? 0.3 #NAME? 0.22 #NAME? 0.78 0.74 0.24 #NAME? 0.7 0.12 #NAME? 0.18 #NAME? 0.16 #NAME? 0.68 0. M Parameter fitting in the NRTL model from isothermal vapor-liquid equilibrium data using Modified version of problem 12.9 0.62 0.32 #NAME? 0. Introduction to Chemical Engineering Thermodyna Objective: .84 0.76 0.1: Smith.88 0.82 0.04 #NAME? 0.64 0.72 0.86 0.1 #NAME? 0.34 #NAME? 0.02 #NAME? 1 0 #NAME? T h e rm o d y n a m ic p ro p e rty 12 10 8 6 4 2 0 0 0.1 0. 0.08 #NAME? 0.3 0. and Abbott.36 #NAME? 0.66 0.14 #NAME? 0.98 0.38 #NAME? 0.2 #NAME? 0.28 #NAME? 0.

2745 0.3 0.5539 0.3 Binary interactions (cal/mol) 0 -100 100 0 The first five columns are experimental data for the mixture.2167 0.6268 0.6 0.8314 0.8 Mole fraction of methanol Parameter fitting in the NRTL model from isobaric vapor-liquid equilibrium data using Ex .Fit the binary interaction parameters of the NRTL model using experimental vapor-liquid equilibrium data minimizing the su methanol(1)+water(2) R (cal/(mol.4461 0.2 0.3 0.3956 0.7345 0.3681 0. x1exp x2exp y1exp 0 1 0 0.6961 0.15 alfa 0.3 0.7776 0.6319 0.4 0.6943 0.6044 0.3196 0.1686 0.8922 0.7 0.3 0.987 333.3039 0.6804 0.2224 0.8085 0.1 0.9141 1 0 1 Pressure (kPa) 90 80 70 60 50 40 30 20 10 0 0 0.8733 0.5282 0.7742 0.7255 0.5714 0.K)) T(K) 1.7833 0.5 0.4718 0.8383 0.

Venkatesu.1307 0.3 0 Binary interactions (cal/mol) 0 -110.316 91. w 1 1.2-DCE DMSO C1 85. Chem.6893 395 0. P.45 49. M.380E-07 C7 2 2 R (using R=1 is equivalent to fitting the interaction parameters/R. and Ho-mu Lin Isobaric Vapor–Liquid Equilibrium for Dimethylsulfoxide with Chloroethanes and Chloroethenes J.140E-06 4.3567 369 0.4286 0.0748 0.3107 0.844 0.63 C6 9. 53.5714 383 0.95 0.05 470 450 430 mperature (K) 410 .8693 423 0. M.4803 376 0. Prabhakara Rao.0747 357 1 0 355.6433 0.3 Experimental Experimental Experimental x1 x2 T (K) 0 1 460.65 -4. Data 2008.3 0.4 -7620.156 360 0.082 0 P experimental (kPa) 95. V.Objective: Fit the binary interaction parameters of the NRTL model using experimental vapor-liquid equilibrium data minimizing the su Experimental data Radhamma.9253 0.9252 436 0. .5197 0.37 C2 -6920.2-DCE (1) DMSO (2) alfa 0 0. Eng. 374–377 1.6 C3 0 0 C4 0 0 C5 -10. Cheng-Ting Hsieh. Ming-Jer Lee.

4 0.7 0.8 0.5 0.1 0.6 0. 470 450 430 Temperature (K) 410 390 370 350 0 0.3 0.9 x1 .2 0.

are results of calculations. Parameters for methanol(1)+water(2) columns were calculated These two columns were calculated These 4 columns were calculated with array function nr ay function nrtl.using the NRTL model e are problem specifications. lngamma(2) gamma(1) gamma(2) ge/(RT) he/(RT) #NAME? 2.2447872816 1 #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? . with spreadsheet formulas.

8 0.6 0. . 2001 (reference to the data points available there).2 0.4 fraction0.3 0. Mc-Graw-Hill.9 or-liquid equilibrium data using Excel Solver n to Chemical Engineering Thermodynamics. #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? 0. 6th edition.7 0.5 Mole of methanol0.

953 al data for the mixture.1617 63.229 #NAME? #NAME? #NAME? 0.6 0.8 0. y2exp Pexp(kPa) lngamma1 lngamma2 gamma1 1 19.or-liquid equilibrium data minimizing the summation of the squared difference between experimental and calculated pressures.924 #NAME? #NAME? #NAME? 0.9 1 Mole fraction of methanol quid equilibrium data using Excel Solver .7 0.998 #NAME? #NAME? #NAME? 0.832 #NAME? #NAME? #NAME? 0 84.1915 60.852 #NAME? #NAME? #NAME? 0.223 #NAME? #NAME? #NAME? 0.3732 42. These 2 columns were calculated These final columns were calculated with array function nrtl.614 #NAME? #NAME? #NAME? 0.784 #NAME? #NAME? #NAME? 0.5 0. P1sat 84.2655 52.993020825 0.562 #NAME? #NAME? #NAME? Observe the difference between experim calculated values before and after param Experimental Calculated 3 0.3057 48.652 #NAME? #NAME? #NAME? 0.0859 72.953 #NAME? #NAME? 0.1267 67.4286 39.4 0.562 P2sat 19.1078 70.984 #NAME? #NAME? #NAME? 0.2258 56.

23 217.378 11.or-liquid equilibrium data minimizing the summation of the squared difference between experimental and calculated temperatures.60 290.85 1182.300 #NAME? #NAME? 436.99 112.66 551.644 #NAME? #NAME? 394.897 #NAME? #NAME? 422.850 2.870 30.441 #NAME? #NAME? 376.634 #NAME? #NAME? 369. saturation pressure in kPa 1.242 95.60 95.42 732.06 147.120 #NAME? #NAME? Experimental Calculated . Jer Lee.614 2.562 46.315 7. and Ho-mu Lin Chloroethenes T in Kelvin.381 #NAME? #NAME? 354.069 5.44 181.108 #NAME? #NAME? 359.2-dichloroethane DMSO: dimethylsulfoxide nt to fitting the interaction parameters/R.04 102.179 4.2-DCE: 1.733 #NAME? #NAME? 357.572 #NAME? #NAME? 383. with unit in Kelvin) Calculated Calculated Calculated Calculated Calculated T (K) Psat1 (kPa) Psat2 (kPa) ln (gamma1) ln (gamma2) 461.300 2.

9 1 x1 .7 0. With the fitted parameters.5 0.6 0.4 0.3 0. 0. the experimental and Experimental calculated values are undistinguishable in the Calculated phase diagram.8 0.

e calculated with array function nrtlxs. se/R cpe/R #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .

9 1 e data points available there). #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? ge/(RT) he/(RT) se/R 0. .8 0.

gamma2 Pcalc(kPa) deltaP deltaP^2 y1calc y2calc 1 19. .2866227913 Hint: use Solver to minimize the objective function cell changing the two cells that correspond to the binary interaction parameters of the NRTL model.953 0 0 0 1 #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? Objective function: Sum(deltaP^2) 494. se final columns were calculated with spreadsheet formulas. erve the difference between experimental and ulated values before and after parameter fitting.and calculated pressures.

11803 #NAME? #NAME? #NAME? #NAME? -0.00309 #NAME? #NAME? #NAME? #NAME? -0.impose the constraint th cells (grey cells) should be equal to zero.20601 #NAME? Sum((delta^2)) 1.00137 #NAME? #NAME? #NAME? #NAME? -0.05380 #NAME? #NAME? #NAME? #NAME? 0.0556 0.718777 Use Solver to minimize this cell by chan In the minimization.15663 #NAME? #NAME? #NAME? #NAME? 0.0370 0.19556 #NAME? #NAME? #NAME? #NAME? 0.00006 #NAME? #NAME? #NAME? #NAME? 0.3958 0.2320 0.8972 0. Calculated Calculated Calculated gamma1 gamma2 P (kPa) delta T (delta T)^2 delta P 0.17928 #NAME? #NAME? #NAME? #NAME? -0.4422 0.80493 0.and calculated temperatures.0000 #NAME? #NAME? #NAME? 0.00000 95.0079 0. .94234 1.30 0.3436 0.4234 0.4539 0.

the experimental and ndistinguishable in the .ers.

.impose the constraint that all the deltaP should be equal to zero. inimize this cell by changing the blue cells on.

and Abbott.28 23. New York. Introduction to Chemical Engineering Thermodynamic Objective: Fit the binary interaction parameters of the UNIQUAC model using experimental vapor-liquid equilibrium data minimizing the su methanol(1)+water(2) R T(K) P1sat 1 333.71 89.432 1. Prausnitz.4311 0.068385871 #NAME? Parameter fitting in the UNIQUAC model from vapor-liquid equilibrium data using Excel So Modified version of problem 12.0197423977 0. Other numeric cells are results of calculations.49 r 1.15 P2sat r 1..1311 0. McGraw-Hill. x1exp x2exp y1exp y2exp 0 1 0 1 . Color convention: Cells such as this one are problem specifications.19 5.6961399482 It is common to report UNIQUAC 358.4 0 x1 x2 x3 lngama(1) 0.9 545. J. and B.4 Binary interactions 0 -213. 1987. Poling The Properties of Gases and Liquids 4th ed. van Ness.E..Calculation of activity coefficients and excess properties using the UNIQUAC model Reference: Reid.M.87 3.550089419 0 In this case.033 0.4 4.1: Smith.92 q 1.C.17 q 1.72 2.57 0 -135. R. use R=1 in the sprea The first five columns are experimental data for the mixture.4 Binary interactions 0 60.9118717313 0.8 245. Liquid-liquid equilibrium of the ternary mixture acetonitrile(1)+benzene(2)+n-heptane(3) R T(K) 1 318.8359 #NAME? 0.

8314 0.6961399482 It is common to report UNIQUAC 358.550089419 0 In this case.3956 0.8733 0. Assum (1) ideal vapor phase behavior.3855038251 2.3 10 0.3681 0.8922 0.5539 0.15 K and 60 kPa.7833 0.6961 0.6268 0.2433653032 4.0566346968 5.4311 0.6288691283 0.1915 0.3196 0.6804 0.2224 0.1617 0.4718 0.92 P (kPa) q 1.3732 0.2745 0.432 1.1686 0.3144961749 1.6319 0.8383 0.33. methanol(1)+water(2) R T(K) P1sat (kPa) 1 333.15 P2sat (kPa) r 1.7742 0. 0.2655 0.9141 0.1267 0.5282 0.2167 0.4 Binary interactions 0 -213.6044 0.67 and 0.0859 1 0 1 0 Isothermal flash calculation by direct minimization of the system's Gibbs free energy A 10 mol/s stream of a mixture of methanol(1)+water(2). use R=1 in the sprea Spreadsheet Spreadsheet formula formula Methanol Water Total Mole fraction (1) Feed flow (mol/s) 6.5153534824 Vapor out (mol/s) 4.7 3.4286 0. (3) Poynting factors and saturated liquid fugacity corrections are negligible.3711308717 0.4461 0.5714 0.2258 0.3057 0. Determine the flowrates and compositions in the liquid and vapor output streams from the separation vessel.1078 0.3039 0. respectively.7255 0. with mole fractions of 0.7345 0. is fed to a continuous separation vessel (flash) that operates at 333.8032751906 Hints: Liquid out flow to be calculated using Solver.67 Liquid out (mol/s) 2. .6943 0. (2) activity coefficient given by the UNIQUAC model with the parameters provided.7776 0.8085 0.

6 0.4 #NAME? stream III 0.92 q 1. Isothermal mixing of two liquid streams Comment: since all streams are at the same temperature.15 r 1.4311 0.2 0. Vapor out is the feed flow minus the liquid out flow.8 #NAME? stream II 0.432 1.6961399482 It is common to report UNIQUAC 358.4 Binary interactions 0 -213. the pure component heat capacities cancel in the energy balance (tr methanol(1)+water(2) R T(K) 1 333.550089419 0 In this case.6 #NAME? Heat load (J/s) -108.31 Adiabatic mixing of two liquid streams . use R=1 in the sprea These 4 columns were calculat x1 x2 Ge/(RT) stream I 0.4 0.

methanol(1)+water(2) R T(K) 1 333. U. S.1355112999 (H(I)+H(II)) (J/s) -437.15 H(I) (J/s) -162. Liquid-liquid equilibrium in the system sulfolane(1) + benzene (2) + n-heptane (3) Original reference Letcher.4 0.92 q 1.E. Domanska .6961399482 It is common to report UNIQUAC 358.15 r 1. G.6709938407 H(II) (J/s) -275.4311 0. T.6 #NAME? Reference T (K) 333.4 #NAME? stream III 0.M. use R=1 in the sprea These 4 columns were calculat x1 x2 ge/(RT) stream I 0. Redhi.G.6 0..8065051406 Temperature (III) (K) 330 H(III) (J/s) -1042.432 1.4270223666 Use Solver to zero this cell. Radloff.2 0.2335275071 (H(III)-(H(I)+H(II))) (J/s) -604.4 Binary interactions 0 -213. by changing the temperature of stream III.550089419 0 In this case.8 #NAME? stream II 0.

397 Data reorganization to plot tie-lines x1 x2 0.69 0 -277. 634-638 sulfolane (1) benzene (2) n-heptane (3) Molar volume (cm3/mol) 95.054 0.3160 q 2.155 0.011 0.485 0.6528 Binary interactions 0 1926. Chem.118 0.13 0.15 sulfolane (1) benzene (2) n-heptane (3) r 2.118 0.803 0.228 0.272 0.485 0.295 0.803 0.599 0.314 303.071 0.928 0.624 0. 41.272 .571 0.008 0.624 0.85 0.33 0.071 0.4 147.155 0.752 0.85 0.008 0.26 89.177 0.295 0.0942 3.097 0.599 0.13 0.228 0.4 l (bulk factor) 1 1 0 Z (coordination number) 10 R (J/(mol.341 0.021 0.7893 2.054 0.K)) T(K) 8.39 12884. Data 1996.84 (J/mol) 688.2314 2.928 0.752 0.494 0.6177 4. Eng.77 0 Experimental Experimental n-heptane rich phase Sulfolane rich phase x1h x2h x3h x1s x2s 0.221 0.46 717.707 0.562 0.177 0.874 0.694 0.011 0.15 K J.Liquid-Liquid Equilibria of the Ternary Mixtures with Sulfolane at 303.021 0.36 1926.707 0.

571 0..9 0.2 0 Letcher et al.562 0.397 1 0.8 0.2 0.1 0.6 Benzene 0.341 0.5 0.0. 1996 .3 0.7 0.4 0.1 0 0 0.

953 #NAME? #NAME? 2. a21/R. use R=1 in the spreadsheet. Pexp(kPa) lngamma1 lngamma2 gamma1 gamma2 19.953 mmon to report UNIQUAC binary interaction parameters as a12/R. case. lngama(2) lngama(3) gama(1) gama(2) gama(3) #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? ata using Excel Solver ineering Thermodynamics.562 19. In this case. otherwise use units compatible with the aij values. 2001 (reference to the data points available there). 6th edition. a21/R. 84.QUAC model It is common to report UNIQUAC binary interaction parameters as a12/R. otherwise use units compatible with the aij values.379606509 1 . rium data minimizing the summation of the squared difference between experimental and calculated pressures. etc… in Kelvin. Mc-Graw-Hill. etc… in Kelvin. use R=1 in the spreadsheet. These 2 columns were calculated These final columns were calculated with spreadsheet form with array function uniquac.

etc… in Kelvin. separation vessel.562 19.229 #NAME? #NAME? #NAME? #NAME? 72.852 #NAME? #NAME? #NAME? #NAME? 52.998 #NAME? #NAME? #NAME? #NAME? 67. a21/R.832 #NAME? #NAME? #NAME? #NAME? 84. formula Mole fraction (2) lngamma(1) lngamma(2) G/(RT) 0. Spreadsheet These 2 columns were calculated Spreadsheet formula with array function uniquac. Assume: 84. otherwise use units compatible with the aij values.984 #NAME? #NAME? #NAME? #NAME? 48.784 #NAME? #NAME? #NAME? #NAME? 56.652 #NAME? #NAME? #NAME? #NAME? 60.3281013304 Liquid+vapor 34.614 #NAME? #NAME? #NAME? #NAME? 63. case.223 #NAME? #NAME? #NAME? #NAME? 42. use R=1 in the spreadsheet.7820211214 0.1101224517 Use Solver to minimize the total Gibbs The liquid flowrates of methanol and w variables in the solution procedure imp .4846465176 #NAME? #NAME? 14.1967248094 19.562 #NAME? #NAME? #NAME? #NAME? 33.33 0. 39. respectively.924 #NAME? #NAME? #NAME? #NAME? 70.953 60 mmon to report UNIQUAC binary interaction parameters as a12/R.

otherwise use units compatible with the aij values. a21/R.06 .el in the energy balance (try to prove that) and are not necessary. etc… in Kelvin.67 #NAME? #NAME? #NAME? -275. mmon to report UNIQUAC binary interaction parameters as a12/R. use R=1 in the spreadsheet. 4 columns were calculated with array function uniquacxs.14 #NAME? #NAME? #NAME? -273. case. Spreadsheet formula He/(RT) Se/R Cpe/R He(J/mol) #NAME? #NAME? #NAME? -162.

a21/R.mmon to report UNIQUAC binary interaction parameters as a12/R. use R=1 in the spreadsheet. 4 columns were calculated with array function uniquacxs.1967637536 . case. Spreadsheet formula he/(RT) se/R cpe/R he(J/mol) #NAME? #NAME? #NAME? -162.6709938407 #NAME? #NAME? #NAME? -275.1355112999 #NAME? #NAME? #NAME? -279. etc… in Kelvin. otherwise use units compatible with the aij values.

6 44.7 0.1 44.8253786795 .4738792627 0.35 17.8 8.1 8.25 35.8250119439 0.6 47.032 45.05 21.6 0.3941880075 0.15 41.45 17.r and q were computed from the molar volume and bulk factor These values are used as feed flows in a flash-like calculation Calculated Calculated: mole numbers in Average mole fractions multiplied by 100 n-heptane rich phase x3s n1 n2 n3 n1h 0.8 12.021 43.018 46.5 4.02 41.1 25.2 33.95 6.7 1.0566325003 0.02 41.8304848095 0.02 43.

1 0.5 phase Experimental tie-lines Exp tieline 2 0.8 Experimental n-heptane 0.9 0. 1 0.4 Exp tieline 3 Exp tieline 4 0.3 0.7 ri ch phase Experimental sulfol ane ri ch phase 0.6 Calculated n-heptane rich phase+UNIQUAC Calculated sulfolane rich 0.8 0.2 0.1 Calc5 0 0 0.2 Calc 2 Calc3 Calc4 0.7 0.9 1 Sulfolane .5 0.3 Exp tieline 5 Exp tieline 6 Calculated tie-lines 0.6 0.4 0.

Pcalc(kPa) deltaP deltaP^2 y1calc y2calc 19.953 0 0 0 1 . xgama(1) xgama(2) xgama(3) #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? alculated with spreadsheet formulas.

uid flowrates of methanol and water are the independent es in the solution procedure implemented here. .0761125321 Hint: use Solver to minimize the objective function cell changing the two cells that correspond to the binary interaction parameters of the UNIQUAC model. #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? Objective function: Sum(deltaP^2) 1. lver to minimize the total Gibbs free energy/(RT).

7746213205 12.3836875784 36.8314200803 42.6370240964 39.610461894 0.ted: mole numbers in Calculated: mole numbers in ne rich phase sulfolane rich phase n2h n3h n1s n2s n3s 5.8735577044 43.0560783683 10.8685799197 23.639538106 34.3695151905 9.3249880561 10.7439216317 1.32383812 24.3965787067 27.2684740723 5.6766771129 14.425720154 16.77616188 1.7058119925 11.7264422956 0.0534212933 .7433674997 2.9562707769 34.0629759036 30.1163124216 33.924279846 1.6815259277 1.9233228871 46.5761207373 6.1437292231 35.

771561172E-16 .-7.

1043990948 0.1357249984 0.1066737659 0. 0.0904897355 1.589839371E-16 .1527209407 0.1189501625 0.1506464987 0.1471587404 0.1218441457 0.1428062734 0.

58925 0.13206 0.69740 0.09226 0.00949 0.09345 0.78412 0.03676 0.88105 0.24675 0.63076 0.00114 0.31730 0.20906 0.22587 0.00949 0.29311 0.02538 Data reorganization to plot tie-lines x1 x2 0.72921 0.75105 0.00114 0.02403 0.46843 0.19471 0.16017 0.85058 0.72921 0.93214 0.63076 0.60298 0.75105 0.02117 0.46843 0.03676 0.29311 0.30476 0.11782 0.09345 0.19471 0.49481 0.85058 0.Calculated: mole fractions in Calculated: mole fractions in n-heptane rich phase sulfolane rich phase x1h x2h x3h x1s x2s x3s 0.05437 0.16017 0.13206 0.24675 .58925 0.22587 0.01735 0.30551 0.05437 0.78412 0.66911 0.02308 0.11782 0.01349 0.93214 0.

30551 .30476 0.60298 0.66911 0.0.

Calculated: ln(gamma) in Calculated: ln(gamma) in Calculated: n(i)*ln(x(i)*gamma(i)) in n-heptane rich phase sulfolane rich phase n-heptane rich phase 1 2 3 1 2 3 1 #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .

culated: n(i)*ln(x(i)*gamma(i)) in Calculated: n(i)*ln(x(i)*gamma(i)) in Calculated: deltaG eptane rich phase sulfolane rich phase Sum (n*ln(x*gamma) for all 2 3 1 2 3 components in all phases #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .

Use Solver to minimize this cell in each row by changing the blue cells of the same row. .

Poling The Properties of Gases and Liquids 4th ed.M.9011 0. Prausnitz and B. J. McGraw CH3 CH2 CH3CO r 0.C. H. R.Calculation of activity coefficients and excess properties using the UNIFAC model Reference: Reid.E.M.953 #NAME? #NAME? 4.. 4th edition.6724 q 0. and B. with spreadsheet formulas.047 0.6744 1. Introduction to Chemical Engineering Thermodynam CH3 CH2 CH2NH r 0. Van Ness.848 0. x1 x2 lngama(1) lngama(2) gama(1) 0.76 0 acetone 1 0 1 Group description of acetone: 1 CH3 a n-pentane 2 3 0 Group description of n-pentane: 2 CH R 1 The unit of R should be compatible with the unit of the UNIFAC binary interac T (K) 307 These 2 columns were calculated These two columns were calculated with array function unifac.848 0.9920343115 diethylamine(1)+n-heptane(2) Example taken from Smith..76 26.C.M. Abbott.488 CH3 0 0 476.7 CH2NH 65. Prausnitz. R. The Properties of Gases and Liquids. Other numeric cells are results of calculations. Color convention: Cells such as this one are problem specifications.936 CH3 0 0 255. 1987. Poling.33 65. acetone(1)+n-pentane(2) Example taken from Reid.M.4 CH3CO 26. J.4 CH2 0 0 476.54 0. New York. J.. and M.33 0 diethylamine 2 1 1 Group description of diethylamine: 2 C n-heptane 2 5 0 Group description of n-heptane: 2 CH R 1 The unit of R should be compatible with the unit of the UNIFAC binary interac .C. McGraw-Hill.7 CH2 0 0 255.6744 1.9011 0..207 q 0.54 1.

15 These 2 columns were calculated These two columns were calculated with array function unifac.4 0. with spreadsheet formulas.1330392999 .6 #NAME? #NAME? 1. x1 x2 lngama(1) lngama(2) gama(1) 0.T (K) 308.

and 1 CH2NH scription of n-heptane: 2 CH3 and 5 CH2. gama(2) gert hert ser cper 1. scription of acetone: 1 CH3 and 1 CH3CO. of the UNIFAC binary interaction parameters. eadsheet formulas. In this case. of the UNIFAC binary interaction parameters. possibly caused by round-offs. McGraw-Hill. use R=1. as done here. These are normally given in Kelvin. In this case. 1 CH2. Engineering Thermodynamics. scription of diethylamine: 2 CH3. These are normally given in Kelvin. McGraw-Hill.FAC model iquids.. scription of n-pentane: 2 CH3 and 3 CH2. as done here. wo columns were calculated These 4 columns were calculated with array function unifacxs. 4th edition. use R=1. pages 322-332. pages 767-769. 6th edition.0052602112 #NAME? #NAME? #NAME? #NAME? There is a small discrepancy with respect to the values reported in the Reid et al. .

eadsheet formulas.0470238738 #NAME? #NAME? #NAME? #NAME? There is perfect agreement with the activity coefficient values reported by Smith et al.wo columns were calculated These 4 columns were calculated with array function unifacxs. . gama(2) gert hert ser cper 1.

as done here. caused by round-offs. . 1. as done here.1.

96 #NAME? #NAME? #NAME? #NAME? #NAME? 0. Gmehling A Modified UNIFAC Model. 1. Chem.Calculation of activity coefficients and excess properties using the Modified UNIFAC model References: Weidlich.86 #NAME? #NAME? #NAME? #NAME? #NAME? 0.1 0. Other numeric cells are results of calculations. Res.02 0.16 0. H. 1372-1381.9 #NAME? #NAME? #NAME? #NAME? #NAME? 0. Res. Eng.6325 0. 2006. 26. n-pentane(1)+ benzene(2) CH3 CH2 ACH r 0.7081 0. R 1 The unit of R should be compatible with the unit of the Modified UNIFAC bina T (K) 298.15 These 4 columns were calculated with Spreadsheet array function modunifacxs.3763 q 1. 1987.2 a CH2 0 0 114. benzene 0 0 6 Group description of benzene: 6 ACH.94 #NAME? #NAME? #NAME? #NAME? #NAME? 0.2998 -0. 7924-7933 Color convention: Cells such as this one are problem specifications. Jakob.84 #NAME? #NAME? #NAME? #NAME? #NAME? . J.4321 CH3 0 0 114.0933 ACH -0. Gmehling Further Development of Modified UNIFAC (Dortmund): Revision and Extension 5 Ind.14 0.0608 0. and J. and gamma at infinite dilution Ind.88 #NAME? #NAME? #NAME? #NAME? #NAME? 0. Lohmann.07 16.08 0.2998 0 CH3 0 0 0 c CH2 0 0 0 ACH 0 0 0 n-pentane 2 3 0 Group description of n-pentane: 2 CH3 and 3 CH2. Grensemann. 45.0933 b CH2 0 0 0.98 #NAME? #NAME? #NAME? #NAME? #NAME? 0.92 #NAME? #NAME? #NAME? #NAME? #NAME? 0. U.6325 0.12 0.2 ACH 16.04 0. Eng.. Prediction of VLE. Chem. A. formula x1 x2 gert hert ser cper he(J/mol) 0 1 #NAME? #NAME? #NAME? #NAME? 0 0.07 0 CH3 0 0 0. hE. J.06 0.

72 #NAME? #NAME? #NAME? #NAME? #NAME? 0.82 0.68 #NAME? #NAME? #NAME? #NAME? #NAME? 0.16 #NAME? #NAME? #NAME? #NAME? #NAME? 0.54 #NAME? #NAME? #NAME? #NAME? #NAME? 0.78 0.1 0.04 #NAME? #NAME? #NAME? #NAME? #NAME? 0.38 #NAME? #NAME? #NAME? #NAME? #NAME? 0.22 0.4 0.6 0.34 0.14 #NAME? #NAME? #NAME? #NAME? #NAME? 0.3 0.62 #NAME? #NAME? #NAME? #NAME? #NAME? 0.08 #NAME? #NAME? #NAME? #NAME? #NAME? 0.66 #NAME? #NAME? #NAME? #NAME? #NAME? 0.18 0.26 0.54 0.3 #NAME? #NAME? #NAME? #NAME? #NAME? 0.34 #NAME? #NAME? #NAME? #NAME? #NAME? 0.38 0.2 #NAME? #NAME? #NAME? #NAME? #NAME? 0.22 #NAME? #NAME? #NAME? #NAME? #NAME? 0.72 0.4 0.3 0.5 0.4 0.64 0.6 0.62 0.36 0.8 0.7 0.7 0.8 #NAME? #NAME? #NAME? #NAME? #NAME? 0.98 0.52 0.9 0.42 0.48 0.3 0.6 0.5 #NAME? #NAME? #NAME? #NAME? #NAME? 0.46 #NAME? #NAME? #NAME? #NAME? #NAME? 0.94 0.76 #NAME? #NAME? #NAME? #NAME? #NAME? 0.02 #NAME? #NAME? #NAME? #NAME? #NAME? 1 0 #NAME? #NAME? #NAME? #NAME? #NAME? Exce ss e nth alpy (J/ m o l) 1 0.44 0.64 #NAME? #NAME? #NAME? #NAME? #NAME? 0.88 0.32 0.26 #NAME? #NAME? #NAME? #NAME? #NAME? 0.52 #NAME? #NAME? #NAME? #NAME? #NAME? 0.44 #NAME? #NAME? #NAME? #NAME? #NAME? 0.74 #NAME? #NAME? #NAME? #NAME? #NAME? 0.06 #NAME? #NAME? #NAME? #NAME? #NAME? 0.5 0. 0.74 0.66 0.28 0.12 #NAME? #NAME? #NAME? #NAME? #NAME? 0.96 0.32 #NAME? #NAME? #NAME? #NAME? #NAME? 0.9 0.82 #NAME? #NAME? #NAME? #NAME? #NAME? 0.8 0.7 #NAME? #NAME? #NAME? #NAME? #NAME? 0.4 #NAME? #NAME? #NAME? #NAME? #NAME? 0.2 0.6 #NAME? #NAME? #NAME? #NAME? #NAME? 0.9 1 .7 0.42 #NAME? #NAME? #NAME? #NAME? #NAME? 0.24 0.76 0.58 0.78 #NAME? #NAME? #NAME? #NAME? #NAME? 0.2 0.8 0.92 0.86 0.1 #NAME? #NAME? #NAME? #NAME? #NAME? 0.48 #NAME? #NAME? #NAME? #NAME? #NAME? 0.56 0.58 #NAME? #NAME? #NAME? #NAME? #NAME? 0.5 0.36 #NAME? #NAME? #NAME? #NAME? #NAME? 0.84 0.56 #NAME? #NAME? #NAME? #NAME? #NAME? 0.2 0.68 0.28 #NAME? #NAME? #NAME? #NAME? #NAME? 0.24 #NAME? #NAME? #NAME? #NAME? #NAME? 0.1 0 0 0.46 0.18 #NAME? #NAME? #NAME? #NAME? #NAME? 0.

1 0 0 0.9 1 Mole fracton of n-pentane 12 n-pentane Natural logarithm of actvity coefcient 10 benzene 8 6 4 2 0 0 0.2 0.3 0.6 0.7 0.7 0.5 0.3 0.8 0.6 0.6 0.1 0.5 0.4 0.3 0.2 0. 0.9 1 Mole fracton of n-pentane .8 0.1 0.2 0.7 0.4 0.4 0.5 0.8 0.

These are normally given in Kelvin. ion of benzene: 6 ACH. lngamma1 lngamma2 #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? . In this case. with the unit of the Modified UNIFAC binary interaction parameters. as done here. use R=1. These 2 columns were calculated with array function modunifac. the Modified UNIFAC model (Dortmund version) ion of n-pentane: 2 CH3 and 3 CH2.

#NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .

8 0.7 0.9 1 .

. as done here.use R=1.

and B.14 T(K) 300 Compute using Solver n-hexane Tc(K) 507.028013 Ideal gas cp coefficients R (SI) 8.e. Other numeric cells are results of calculations. McGraw-Hill. at a pressure of 1 atm = 1.C.1 kij 0 Computed with Computed with function function vdwlnphil vdwlnphiv x Pespec lnphiL lnphiV 1 1.0132 bar) R 83.7663151887 -0.Physical properties from the van der Waals equation of state Reference: Reid. Poling The Properties of Gases and Liquids 4th ed. 1987. New York.5 Pc(bar) 30.39E+06 kij 0 Temperature (K) 300 Molar mass (g/mol) 28.E..0340823103 Example of sound speed calculation Use SI units throught the calculation Nitrogen Tc(K) 126.0132 0.013 Molar mass (kg/mol) 0.314 Spreadsheet Spreadsheet formula formula . Color convention: Cells such as this one are problem specifications. R. Prausnitz... J.2 Pc(Pa) 3.M. Normal boiling temperature of n-hexane (i.

0132 301320 2.5132 1851320 2.95E+01 1 7.95E+01 1 15.95E+01 1 8.5132 2451320 2.95E+01 1 17.5132 151320 2.95E+01 1 19.95E+01 1 23.5132 1451320 2.0132 101320 2.95E+01 1 11.95E+01 1 11.5132 1251320 2.95E+01 1 16.95E+01 1 17.0132 1901320 2.0132 1801320 2.95E+01 1 12.0132 201320 2.5132 1151320 2.0132 2301320 2.5132 351320 2.0132 1001320 2.5132 2351320 2.0132 1601320 2.0132 1701320 2.95E+01 1 25.0132 1501320 2.0132 1201320 2.0132 901320 2.5132 1551320 2.0132 501320 2.5132 951320 2.5132 2051320 2.95E+01 1 15.0132 401320 2.0132 1401320 2.K)) 1 1.95E+01 1 16.0132 2501320 2.0132 601320 2.5132 1951320 2.5132 1751320 2.95E+01 1 13.95E+01 1 2.95E+01 1 24.5132 751320 2.95E+01 1 18.95E+01 1 14.95E+01 1 22.95E+01 1 12.95E+01 1 14.95E+01 1 21.5132 851320 2.95E+01 1 9.0132 2201320 2.95E+01 1 18.0132 801320 2.95E+01 1 4.95E+01 1 7.95E+01 1 1.95E+01 .0132 1301320 2.95E+01 1 24.0132 2401320 2.5132 551320 2.95E+01 1 8.95E+01 1 5.95E+01 1 6.x Pespec (bar) Pespec(Pa) cpig (J/(mol.0132 1101320 2.95E+01 1 23.95E+01 1 20.5132 2251320 2.0132 2001320 2.5132 1351320 2.5132 651320 2.95E+01 1 10.5132 2151320 2.95E+01 1 20.5132 251320 2.95E+01 1 2.95E+01 1 5.95E+01 1 22.95E+01 1 10.95E+01 1 6.95E+01 1 3.5132 451320 2.95E+01 1 4.95E+01 1 3.0132 2101320 2.95E+01 1 19.0132 701320 2.5132 1651320 2.95E+01 1 9.95E+01 1 21.5132 1051320 2.95E+01 1 13.

5132 2551320 2.1 25.95E+01 .

17E-09 These 4 columns were calculated with array function svsoundspeedv. 31.These columns were calculated using spreadsh .68E-05 -1.800397499 Use Solver to zero this cell by changing T.0132 bar) Computed with spreadsheet function.36E-02 2.15 -1.atm = 1. deltalnphi 0.

0371750624 #NAME? #NAME? #NAME? #NAME? 0.rho (mol/m3) dpdrho (Pa/(mol/m3)) cprr (K) dpdt (Pa/K) cpresidual (J/(mol.0555741664 #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .K)) #NAME? #NAME? #NAME? #NAME? 0.

#NAME? #NAME? #NAME? #NAME? #NAME?

mns were calculated using spreadsheet formulas

cp (J/(mol.K)) cv (J/(mol.K)) gama=cp/cv sound speed (m/s)
29.4966390624 #NAME? 1.394939315 352.1909781689
29.5150381664 #NAME? 1.395809435 352.1873763833
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
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#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
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#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?

#NAME? #NAME? #NAME? #NAME?

Physical properties from the Redlich-Kwong equation of state

Reference:
Reid, R.C., J.M. Prausnitz, and B.E. Poling
The Properties of Gases and Liquids
4th ed., McGraw-Hill, New York, 1987.

Color convention: Cells such as this one are problem specifications.

Other numeric cells are results of calculations.

Normal boiling temperature of n-hexane (i.e., at a pressure of 1 atm = 1.0132 bar)

R 83.14
T(K) 300 Compute using Solver

n-hexane
Tc(K) 507.5
Pc(bar) 30.1
kij 0

Computed wit Computed with Computed with
function function spreadsheet
rklnphil rklnphiv function.
x Pespec lnphiL lnphiV deltalnphi
1 1.0132 -0.678940756 -0.0497334708 -0.6292072852

Example of sound speed calculation
Example of sound speed calculation
Use SI units throught the calculation
Nitrogen
Tc(K) 126.2
Pc(Pa) 3.39E+06
kij 0
Temperature (K) 300
Molar mass (g/mol) 28.013
Molar mass (kg/mol) 0.028013
Ideal gas cp coefficients 31.15

R (SI) 8.314

Spreadsheet Spreadsheet These 4 columns were calculated w
formula formula
x Pespec (bar) Pespec(Pa) cpig (J/(mol.K)) rho (mol/m3)

95E+01 #NAME? 1 24.5132 1051320 2.95E+01 #NAME? 1 12.95E+01 #NAME? 1 2.5132 1251320 2.0132 1901320 2.95E+01 #NAME? 1 10.95E+01 #NAME? 1 4.0132 2201320 2.95E+01 #NAME? 1 7.0132 2101320 2.95E+01 #NAME? 1 19.95E+01 #NAME? 1 18.0132 701320 2.5132 2451320 2.0132 1001320 2.5132 151320 2.95E+01 #NAME? 1 22.95E+01 #NAME? 1 5.95E+01 #NAME? 1 22.95E+01 #NAME? 1 9.0132 2301320 2.5132 1351320 2.95E+01 #NAME? 1 15.95E+01 #NAME? 1 8.5132 351320 2.0132 1101320 2.95E+01 #NAME? 1 25.95E+01 #NAME? 1 6.5132 651320 2.95E+01 #NAME? 1 2.95E+01 #NAME? 1 13.95E+01 #NAME? 1 20.95E+01 #NAME? 1 11.95E+01 #NAME? 1 17.95E+01 #NAME? 1 19.0132 2501320 2.95E+01 #NAME? 1 21.95E+01 #NAME? .95E+01 #NAME? 1 4.0132 1701320 2.5132 2351320 2.95E+01 #NAME? 1 16.0132 101320 2.95E+01 #NAME? 1 13.5132 951320 2.5132 451320 2.5132 2051320 2.95E+01 #NAME? 1 7.5132 1451320 2.0132 901320 2.5132 751320 2.95E+01 #NAME? 1 11.95E+01 #NAME? 1 16.95E+01 #NAME? 1 25.5132 2551320 2.95E+01 #NAME? 1 24.95E+01 #NAME? 1 12.95E+01 #NAME? 1 8.95E+01 #NAME? 1 3.0132 2401320 2.95E+01 #NAME? 1 23.95E+01 #NAME? 1 20.0132 601320 2.95E+01 #NAME? 1 15.5132 2151320 2.0132 1501320 2.5132 551320 2.5132 1751320 2.0132 401320 2.95E+01 #NAME? 1 3.5132 1651320 2.95E+01 #NAME? 1 23.95E+01 #NAME? 1 10.95E+01 #NAME? 1 14.5132 1551320 2.0132 301320 2.0132 2001320 2.5132 2251320 2.95E+01 #NAME? 1 6.95E+01 #NAME? 1 5.0132 1201320 2.0132 1801320 2.0132 201320 2.95E+01 #NAME? 1 21.95E+01 #NAME? 1 9.95E+01 #NAME? 1 1.5132 851320 2.0132 801320 2.0132 1401320 2.1 1.95E+01 #NAME? 1 18.0132 1601320 2.95E+01 #NAME? 1 14.95E+01 #NAME? 1 17.5132 1951320 2.5132 1151320 2.0132 501320 2.0132 1301320 2.5132 251320 2.5132 1851320 2.

Use Solver to zero this cell by changing T.K)) cp (J/(mol.68E-05 -1.17E-09 e 4 columns were calculated with array function svsoundspeedv.K)) . These columns were calculated using spreadsheet formul dpdrho (Pa/(mol/m3)) cprr (K) dpdt (Pa/K) cpresidual (J/(mol.36E-02 2. -1.

0682896949 29.50518726 #NAME? #NAME? #NAME? 0.#NAME? #NAME? #NAME? 0.04572326 29.5277536949 #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .

ed using spreadsheet formulas cv (J/(mol.K)) gama=cp/cv sound speed (m/s) .

3947405535 352.#NAME? 1.3955097528 352.2656937379 #NAME? 1.2988983822 #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .

0132 bar) R 83.C.5 Pc(bar) 30. Other numeric cells are results of calculations. Prausnitz. McGraw-Hill.e. 1987.Physical properties from the Soave-Redlich-Kwong equation of state Reference: Reid.M. R. and B. J.. Poling The Properties of Gases and Liquids 4th ed.E.. Color convention: Cells such as this one are problem specifications.039 kij 0 Temperature (K) Molar mass (g/mol) Molar mass (kg/mol) Ideal gas cp coefficients R (SI) .. New York.39E+06 omega 0.14 T(K) 300 Compute using Solver n-hexane Tc(K) 507.1 omega 0.0132 Example of sound speed calculation Use SI units throught the calculation Nitrogen Tc(K) 126.2 Pc(Pa) 3. at a pressure of 1 atm = 1.299 kij 0 x Pespec 1 1. Normal boiling temperature of n-hexane (i.

0132 1 6.5132 1 2.0132 1 4.5132 1 13.0132 1 21.5132 1 7.0132 .5132 1 17.0132 1 22.5132 1 8.0132 1 13.5132 1 19.5132 1 12.0132 1 1.0132 1 14.5132 1 6.0132 1 8.0132 1 18.0132 1 3.0132 1 15.5132 1 18.0132 1 2.5132 1 21.5132 1 11.0132 1 16.0132 1 11.0132 1 19.5132 1 5.5132 1 3.5132 1 15.0132 1 5.x Pespec (bar) 1 1.5132 1 20.0132 1 17.0132 1 10.5132 1 16.5132 1 9.0132 1 20.0132 1 7.5132 1 4.0132 1 12.5132 1 10.5132 1 14.0132 1 9.5132 1 22.5132 1 23.

and determ .5132 1 25. to a final condition at 10 bar.5132 1 24. When a substance (or mixture) is present in a large system with depths of hundreds of meters the effect of position This is formulated by modifying the formula for the fugacity (ln fug (CO2)) in the table below) to account for the effe R (bar. Level (m) Radial position (m) x(CO2) 0 0 1 -200 0 1 Isenthalpic expansion The expansion of a fluid stream (pure substance or mixture) from a high pressure to a low pressure condition in a p Consider the expansion of a Nitrogen stream.5132 Effect of external fields (gravitational and centrifugal) on phase equilibrium.81 Radial speed (radians/s) 0 CO2 Molar mass 44 Tc(K) 304. initially at 250 K and 100 bar.8 omega 0.cm3/(mol.1 Pc(bar) 73. Find its pressure 200 m below.14 T(K) 333 R (for gravitational and centrifugal fields) 8314 Gravity acceleration (m/s^2) 9.0132 1 24.K)) 83.0132 1 25. 1 23.239 kij 0 The CO2 pressure is specified at level 0 m.

314 Reference T (K) for enthalpy calculations 300 Mole fraction Pressure (Pascal) Before the valve 1 10000000 After the valve 1 1000000 Isentropic expansion The expansion of a fluid stream (pure substance or mixture) from a high pressure to a low pressure condition in a p Consider the expansion of a Nitrogen stream.K)) 31. to a final condition at 70 bar.39E+06 omega 0.36E-02 R (J/(mol.2 Pc(Pa) 3. initially at 250 K and 100 bar.314 Reference T (K) for entropy calculations 300 Reference P (Pascal) for entropy calculations 100000 . and determ Use SI units throught the calculation Nitrogen Tc(K) 126.K)) 8.K)) 31. Use SI units throught the calculation Nitrogen Tc(K) 126.039 kij 0 (T^0) coefficient (T^1) coefficient Ideal gas cp coefficients (cp in J/(mol.2 Pc(Pa) 3.36E-02 R (J/(mol.39E+06 omega 0.15 -1.15 -1.039 kij 0 (T^0) coefficient (T^1) coefficient Ideal gas cp coefficients (cp in J/(mol.K)) 8.

Mole fraction Pressure (Pascal) Before the equipment 1 10000000 After the equipment 1 7000000 Observe that the final temperatures of the isenthalpic and isentropic expansions are similar (about 226 K). even though the specified final pressures are very different. . Try to undestand this by looking at a PH diagram.

0132 bar) using Solver Computed with Computed with Computed with function function spreadsheet srklnphil srklnphiv function. 300 28. atm = 1.68E-05 8. lnphiL lnphiV deltalnphi -1.15 -1.36E-02 2. meric cells are results of calculations.n of state h as this one are problem specifications.028013 cp coefficients 31.5582455743 -0.314 .5007627422 Use Solver to zero this cell by changing T.0574828321 -1.013 0.

95E+01 #NAME? #NAME? #NAME? 1601320 2. formula formula Pespec(Pa) cpig (J/(mol.95E+01 #NAME? #NAME? #NAME? 1701320 2.95E+01 #NAME? #NAME? #NAME? 701320 2.95E+01 #NAME? #NAME? #NAME? 1251320 2.95E+01 #NAME? #NAME? #NAME? 1351320 2.95E+01 #NAME? #NAME? #NAME? 1401320 2.95E+01 #NAME? #NAME? #NAME? 1901320 2.95E+01 #NAME? #NAME? #NAME? 2001320 2.95E+01 #NAME? #NAME? #NAME? 1851320 2.95E+01 #NAME? #NAME? #NAME? 801320 2.95E+01 #NAME? #NAME? #NAME? 151320 2.95E+01 #NAME? #NAME? #NAME? 1001320 2.95E+01 #NAME? #NAME? #NAME? 2201320 2.95E+01 #NAME? #NAME? #NAME? 901320 2.95E+01 #NAME? #NAME? #NAME? 501320 2.95E+01 #NAME? #NAME? #NAME? 1551320 2.95E+01 #NAME? #NAME? #NAME? 1301320 2.95E+01 #NAME? #NAME? #NAME? 1751320 2.95E+01 #NAME? #NAME? #NAME? 201320 2.95E+01 #NAME? #NAME? #NAME? 551320 2.Spreadsheet Spreadsheet These 4 columns were calculated with array function srksoundspeedv.95E+01 #NAME? #NAME? #NAME? 951320 2.95E+01 #NAME? #NAME? #NAME? 1051320 2.95E+01 #NAME? #NAME? #NAME? 2301320 2.95E+01 #NAME? #NAME? #NAME? 2051320 2.95E+01 #NAME? #NAME? #NAME? 1501320 2.95E+01 #NAME? #NAME? #NAME? 2151320 2.95E+01 #NAME? #NAME? #NAME? 651320 2.95E+01 #NAME? #NAME? #NAME? 2251320 2.95E+01 #NAME? #NAME? #NAME? 1451320 2.95E+01 #NAME? #NAME? #NAME? 251320 2.95E+01 #NAME? #NAME? #NAME? 601320 2.95E+01 #NAME? #NAME? #NAME? 301320 2.95E+01 #NAME? #NAME? #NAME? .95E+01 #NAME? #NAME? #NAME? 1151320 2.95E+01 #NAME? #NAME? #NAME? 451320 2.95E+01 #NAME? #NAME? #NAME? 751320 2.95E+01 #NAME? #NAME? #NAME? 351320 2.95E+01 #NAME? #NAME? #NAME? 1101320 2.95E+01 #NAME? #NAME? #NAME? 1651320 2.95E+01 #NAME? #NAME? #NAME? 1201320 2.95E+01 #NAME? #NAME? #NAME? 1801320 2.95E+01 #NAME? #NAME? #NAME? 1951320 2.95E+01 #NAME? #NAME? #NAME? 2101320 2.95E+01 #NAME? #NAME? #NAME? 851320 2.95E+01 #NAME? #NAME? #NAME? 401320 2.K)) rho (mol/m3) dpdrho (Pa/(mol/m3)) cprr (K) 101320 2.

.0281835748 2.2667762786 -0. to a final condition at 10 bar. Function Spreadsheet Spreadsheet srklnphiv formula formula Pespec (bar) lnphiv (CO2) ln fug (CO2) Function This function is the difference betw 8 #NAME? 2. and determine its final temperature.98E-07 Use Solver to zero this cell Compute using Solver essure to a low pressure condition in a perfectly insulated valve (throtlting) is an isenthalpic process.05217 8.95E+01 #NAME? #NAME? #NAME? 2401320 2. hundreds of meters the effect of position on properties is relevant.95E+01 #NAME? #NAME? #NAME? 2501320 2.95E+01 #NAME? #NAME? #NAME? 2451320 2.95E+01 #NAME? #NAME? #NAME? 2551320 2.05288 4. 2351320 2. n the table below) to account for the effect of the gravitational field.95E+01 #NAME? #NAME? #NAME? equilibrium.

(T^2) coefficient (T^3) coefficient 2. and determine its final temperature.68E-05 -1. to a final condition at 70 bar. formula Temperature (K) Ideal gas h (J/mol) gr/(RT) hr/(RT) sr/R 250 -1471.30 #NAME? #NAME? #NAME? Compute using Solver essure to a low pressure condition in a perfectly insulated reversible turbine is an isentropic process.17E-09 Spreadsheet These 4 columns were calculated with array function srkresv.17E-09 Spreadsheet These 4 columns were calculated with array function srkresv.68E-05 -1. formula . (T^2) coefficient (T^3) coefficient 2.00 -1471.30 #NAME? #NAME? #NAME? 250.

Temperature (K) Ideal gas s (J/(mol.69 #NAME? #NAME? #NAME? Compute using Solver sions are similar (about 226 K).65 #NAME? #NAME? #NAME? 250. . nd this by looking at a PH diagram.00 -40.K)) gr/(RT) hr/(RT) sr/R 250 -43.

17E-09 . -1.y changing T.

These columns were calculated using spreadsheet formulas dpdt (Pa/K) cpresidual (J/(mol.5125879833 #NAME? #NAME? #NAME? 29.K)) cv (J/(mol.nction srksoundspeedv.K)) cp (J/(mol.K)) #NAME? #NAME? 29.53879011 #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .

#NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? nction is the difference between ln fug values at two different positions. ver to zero this cell .

Hint: use Solver to zero the Delta h cell by changing the temperature after the valve.05 -1564.35 Delta h (J/mol) 728.54 #NAME? -93.1883839424 Use Solver to zero this cell The flowrates before and after the valve are equal (steady-state assumption). Therefore. the molar enthalpies must be equal. if the enthalpies are equal.nction srkresv. Spreadsheet Spreadsheet formula formula cpr/R Residual h (J/mol) Molar h (J/mol) #NAME? -821. nction srkresv.24 -2292. Spreadsheet Spreadsheet formula formula .

the molar entropies must be equal. .K)) 3.91E+00 -46.7558435905 Use Solver to zero this cell The flowrates before and after the valve are equal (steady-state assumption).12E+00 -42.56 #NAME? -2. Hint: use Solver to zero the Delta s cell by changing the temperature after the valve.K)) #NAME? -2. Therefore.81 Delta s (J/(mol. cpr/R Residual s (J/(mol.K)) Molar s (J/(mol. if the entropies are equal.

gama=cp/cv sound speed (m/s) 1.3948883707 #NAME? 1.3957297384 #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .

#NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .

.assumption).

. must be equal.assumption).

Prausnitz.039 kij 0 Temperature (K) 300 Molar mass (g/mol) 28.299 kij 0 Computed with function prlnphil x Pespec lnphiL 1 1.Physical properties from the Peng-Robinson equation of state Reference: Reid. McGraw-Hill.39E+06 omega 0.0132 bar) R 83. J.e. Poling The Properties of Gases and Liquids 4th ed.013 Molar mass (kg/mol) 0. and B.0132 -1. New York.M. Other numeric cells are results of calculations.C..5 Pc(bar) 30.2 Pc(Pa) 3.028013 .1 omega 0.E... at a pressure of 1 atm = 1. 1987.14 T(K) 300 Compute using Solver n-hexane Tc(K) 507. Normal boiling temperature of n-hexane (i. Color convention: Cells such as this one are problem specifications.5312439398 Example of sound speed calculation Use SI units throught the calculation Nitrogen Tc(K) 126. R.

0132 301320 1 3.0132 1501320 1 15.5132 2051320 1 21.5132 1851320 1 19.0132 1201320 1 12.0132 801320 1 8.314 Spreadsheet formula x Pespec (bar) Pespec(Pa) 1 1.0132 1301320 1 13.5132 1551320 1 16.0132 1001320 1 10.5132 1251320 1 13.5132 1651320 1 17.0132 1801320 1 18.5132 851320 1 9.5132 151320 1 2.5132 451320 1 5.5132 1151320 1 12.0132 401320 1 4.0132 501320 1 5.5132 1951320 1 20.0132 2101320 .0132 1601320 1 16.0132 701320 1 7.5132 351320 1 4.5132 1351320 1 14.5132 1051320 1 11.0132 201320 1 2.5132 751320 1 8. Ideal gas cp coefficients R (SI) 8.0132 2001320 1 20.0132 601320 1 6.5132 951320 1 10.5132 251320 1 3.0132 1701320 1 17.5132 1451320 1 15.5132 551320 1 6.5132 651320 1 7.0132 901320 1 9.5132 1751320 1 18.0132 101320 1 1.0132 1401320 1 14.0132 1901320 1 19.0132 1101320 1 11.

0132 2501320 1 25.0132 C atoms 11.9813669634 0.14 T(K) 366.5 #NAME? Vapor 0.e.00 0.5132 2551320 Bubble temperature of n-hexane + pseudocomponent (hydrocarbon of 11.5 0.0132 2201320 1 22.5 660. 1 21.44 calculated using Whitson interpolation tabl kij 0.0186330366 #NAME? Advanced example Phase equilibrium of a semicontinuous mixture Assumption: the probability density distribution function of the continuous family is a decaying exponential function Characterization of the continuous fraction Cm 7 Cm: minimum number of Carbon atoms in a su CM 45 CM: maximum number of Carbon atoms in a s MW 170 MW: average molar mass .00 0.00 calculated using Whitson interpolation tabl Pc(bar) 30.5132 2351320 1 24.5005982776 Compute using Solver P (bar) 1.0132 2301320 1 23.5132 2151320 1 22.5132 2451320 1 25.6 n-hexane pseudocomponent Tc(K) 507.1 21.40 calculated using Whitson interpolation tabl omega 0.00 0. at a R 83.6 carbon atoms) (i.00 Mole fraction 1 Mole fraction 2 ln phi1 Liquid 0.5132 2251320 1 23.0132 2401320 1 24..299 0.

5 0.514726342 Find delta -0.5 CN 12.12 16 0.0314783103 0.5 0.0289559762 17.eta 6.1197795377 9 0.5 0.4954810563 Shape of the probability distribution function Plot of the probability density function.5 phi 45.1538871075 7.1670442652 C 0.0857609982 11 0.0788890318 11. I F(I) 6.5 0.08 18 0.0725677111 12 0.000000078 Use Solver to zero this by cell changing delta.5 0.5 0.0564837889 13.0477944445 14.5 0.0207322007 0.0175428037 0.0342203631 16.0667529132 Probability density 12.5 0.0404418502 15.5 0.1672921019 7 0.14 15 0.04 19.5 0.1415562455 8 0.0190709446 20 0.02 1.1302134465 8.5 0.0245014512 18.1101816905 9.0932315767 10.0372012741 0.1 17 0.0614040508 0.5 0.0439647104 0.0519577839 0.5 0.5 0.18 13 0.16 14 0.04083408558608E-17 0 5 -0.02 .06 19 0. D 0.1013529118 10 0.0225381677 0.4285714286 CN: average number of atoms of carbon in the delta 6.0266357549 0.

5 0.04 0.5 0.0039010488 29.0148440566 1.0010252037 37.0013171334 36 0.0050118837 28 0.0059230771 27 0.0006211135 40.0089931822 24.0097765718 24 0.5 0.5 0.0023634269 32.5 0.0007979773 39 0.0042408663 29 0.0004834498 42 0.0006752182 40 0.5 0.5 0.0005255627 41.0076096904 25.5 0.0115540168 23 0.0046102851 28.0030364195 31 0.5 0.5 0.5 0.0064390321 26.0027931134 31. 0.02 22.0016921909 34.0069999315 26 0.0011145084 37 0.5 0.0025693033 32 0.5 0.5 0.0082725651 25 0.0014318679 35.0008674886 38.02 20.0018395965 34 0.5 0.5 0.0005713441 41 0.04083408558608E-17 21.0009430549 38 0.5 0.5 0.0003762979 43.0106282019 23.0004447113 42.0136546131 0 5 22 0.0161371116 21 0.5 0.0019998424 33.0125604789 -0.0002694256 .08 0.5 0.0003461454 44 0.0035884606 30 0.000318409 44.0021740472 33 0.0033009198 30.000734036 39.06 0.5 0.0054484652 27.5 0.5 0.0004090769 43 0.0002928951 45 0.5 0.5 0.0012115925 36.0015565969 35 0.

3686847789 P (bar) 1.0002478368 Phase equilibrium example A more sophisticated integration method can be used (e.0132 Assumption: liquid phase follows the distribution above.5 Tc(K) 530.60 14. and S.265 0.I.3963853539 0. as in a dew point calculation Mole fraction 1 Mole fraction 2 Mole fraction 3 Vapor 0.1341 . Critical point calculations for semi-continuous mixtures. Castier.K)) 83.50 omega 0.5 13 19. Fluid Phase Equilibria 139 (1997) 137-153) but here we use Simpson's rule to locate the collocation points. Sandler.. # of intervals 6 phi-eta 39 deltan 6.00 Pc(bar) 32. 45..L.5 0.00 687.g.4225915874 0.cm3/(mol.403157819 0. M.1338338534 Liquid 0. Rochocz.00 784.5 Pseudo-components 1 2 3 I 6.1426820138 Renormalized vapor 0.14 T (K) 601.484 0.4298118006 0.0759 0. G.25 19.676 kij 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 R (bar.0123 0.

059179726 -1. .ecifications.4720642138 Use Solver to zero this cell by changing T. lnphiV deltalnphi -0. = 1.0132 bar) Computed with Computed with function spreadsheet prlnphiv function.

95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.K)) rho (mol/m3) dpdrho (Pa/(mol/m3)) cprr (K) dpdt (Pa/K) 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.17E-09 Spreadsheet These 4 columns were calculated with array function svsoundspeedv.95E+01 #NAME? #NAME? #NAME? #NAME? 2.15 -1.95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.68E-05 -1.95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? .95E+01 #NAME? #NAME? #NAME? #NAME? 2.36E-02 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2. 31.95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2. formula cpig (J/(mol.95E+01 #NAME? #NAME? #NAME? #NAME? 2.

6 carbon atoms) (i.95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.1418191004763E-05 delta^2 1.0568157162 delta -3.6912726723116E-10 y is a decaying exponential function with finite lower and upper limits of the independent variable nimum number of Carbon atoms in a substance of the continuous fraction aximum number of Carbon atoms in a substance of the continuous fraction verage molar mass .95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.223098092621E-06 -2.0132 bar) ated using Whitson interpolation tables ated using Whitson interpolation tables ated using Whitson interpolation tables ln phi2 (ln x + lnphi +lnP) 1 (ln x + lnphi +lnP) 2 #NAME? -0.0568371344 #NAME? -0.e.95E+01 #NAME? #NAME? #NAME? #NAME? 2.95E+01 #NAME? #NAME? #NAME? #NAME? 2.038836131466E-11 4. 2.95E+01 #NAME? #NAME? #NAME? #NAME? n of 11.95E+01 #NAME? #NAME? #NAME? #NAME? 2..0396448874 -4.58738905916504E-10 Total delta^2 4.95E+01 #NAME? #NAME? #NAME? #NAME? 2. at a pressure of 1 atm = 1.0396481105 -4.

04 0.erage number of atoms of carbon in the molecules of the continuous family Probability density 0.02 1.18 0.14 0.1 0.04083408558608E-17 0 5 10 15 20 25 30 35 40 45 50 -0.12 0.02 .06 0.16 0.08 0.

04 0. 0.02 Number of Carbon atoms .04083408558608E-17 0 5 10 15 20 25 30 35 40 45 50 -0.06 0.08 0.02 1.

2385 0.96 0.2311 0.00 Critical properties and acentric fac 11.048 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Mole fraction 4 Mole fraction 5 Mole fraction 6 Mole fraction 7 Summation 0.0051512323 0.00 901.5 (approximated as 45 because this 45 850.985 1.95 6.0451870891 0.90 9.0010958332 1.0162654468 0. 97) 137-153) but 4 5 6 7 26 32.I.0661130215 0.5 39 45. and S.1138 .39 7.0054917958 0.0010278771 0.844 0.00 971.915 0.1944 0.50 940.0481745441 0.0152567752 0. Sandler.

These columns were calculated using spreadsheet formulas

cpresidual (J/(mol.K)) cp (J/(mol.K)) cv (J/(mol.K)) gama=cp/cv sound speed (m/s)
0.0537373106 29.5132013106 #NAME? 1.3950857653 352.2891540726
0.0802373844 29.5397013844 #NAME? 1.3960243576 352.3341153584
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?

#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?

5 50

5 50

ximated as 45 because this is the maximum value in the Whitson interpolation tables)

properties and acentric factor from Whitson interpolation tables

ln phi 1 ln phi 2 ln phi 3 ln phi 4 ln phi 5
There is a residue from the numerical integration: the rigorous value of the sum with an infinite number ot terms if 1.

#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?

8972041105 #NAME? #NAME? #NAME? #NAME? -0. #NAME? #NAME? -0.22051683058E-07 #NAME? #NAME? delta^2 6.452274E-10 . ln phi 6 ln phi 7 ln fugacity 1 ln fugacity 2 ln fugacity 3 infinite number ot terms if 1.75768969619E-13 #NAME? #NAME? Sum (delta^2) 3.8972049325 #NAME? #NAME? delta ln fugacity 8.

ln fugacity 4 ln fugacity 5 ln fugacity 6 ln fugacity 7 #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .

Physical properties from the Peng-Robinson equation of state with quadratic mixing rule fo

Reference:
Reid, R.C., J.M. Prausnitz, and B.E. Poling
The Properties of Gases and Liquids
4th ed., McGraw-Hill, New York, 1987.

Color convention: Cells such as this one are problem specifications.

Other numeric cells are results of calculations.

Comments about this model

(1) This version of the Peng-Robinson EOS is identical to the original model with exception of the b parameter, which is given b

c
 bi  b j 
c
b   xi x j    1  ij 
i 1 j 1  2 

Flash separation of a binary mixture of CO2 and a pseudocomponent that represents clove oil.

Reference
Souza, A.T., M.L. Corazza, L. Cardozo-Filho, R. Guirardello, and M.A.A. Meireles
Phase Equilibrium Measurements for the System Clove (Eugenia caryophyllus) Oil + CO2
J. Chem. Eng. Data 2004, 49, 352-356

R 83.14
T(K) 318.2
P (bar) 100

CO2 Clove oil
Tc(K) 304.21 763.2
Pc(bar) 73.83 30.97
omega 0.2236 0.6286
kij 0 0.02945
0.02945 0
lij 0 -0.04411
-0.04411 0

theta CO2 theta Clove oil
Liquid 0.1867947007 0.9776214605
Vapor 0.8132052993 0.0223785395

Moles CO2 Moles Clove oil Total
Global 0.93 0.07 1
Liquid 0.1737190717 0.0684335022 0.242152574
Vapor 0.7562809283 0.0015664978 0.757847426

ln (fugacity coefficients) ln (mole fraction)+ln phi
mole fraction CO2 mole fraction Clove oil CO2 Clove oil CO2
Liquid 0.717395107 0.282604893 #NAME? #NAME? -0.521421463
Vapor 0.9979329642 0.0020670358 #NAME? #NAME? -0.521421483

Gliquid -1.116685392
Gvapor -0.417829482

Gtotal -1.5345149

quadratic mixing rule for the b-parameter

he b parameter, which is given by:

represents clove oil.

yllus) Oil + CO2

(mole fraction)+ln phi
Clove oil
-14.99418423
-14.99418619

Minimize this cell by changing the blue cells

Physical properties from an extended Peng-Robinson equation of state for confined fluids

Reference:
Unpublished work by Travalloni, L., F.W. Tavares, M. Castier, and S.I. Sandler

Color convention: Cells such as this one are problem specifications.

Other numeric cells are results of calculations.

Nitrogen adsorption in activated Carbon JX101

R (J/(mol.K)) 8.314
T(K) 298

Nitrogen
Tc(K) 126.2
Pc(Pa) 3.39E+06
omega 0.039
kij 0

Adsorbent JX101 Data from: Qin Wu, Li Zhou, Jiaquan Wu, and Yaping Zhou, J. Chem. Eng. Data 2005, 50
Specific pore volume (mL/g) 0.52
Specific pore volume (m3/kg) 0.00052

Experimental data
P bulk (bar) Adsorbed amount (mmol/g) x
0.18 0.04 1
Confined fluid 0.39 0.0942 1
0.57 0.1566 1
0.84 0.2278 1
1.095 0.2964 1
1.47 0.388 1
1.845 0.4729 1
2.19 0.5437 1
2.52 0.6141 1
2.88 0.6897 1
3.27 0.7661 1
3.69 0.8565 1
4.35 0.9705 1
4.965 1.079 1
5.565 1.176 1
6.135 1.2655 1
6.69 1.3457 1
7.35 1.4329 1
8.04 1.5298 1

735 1 2.2 0.955 1.8 0.1 .6365 1 9.8.6 0.8 1.4 0.2 1.0 0 0.81 1.0 1.6 Adsorbed amount (mol/kg) 1.4 1.0 0.

0004914448 1.000825626 2.0019275147 4.14E+05 100 0 0 -0.35E+05 100 0 0 -0.0001755171 5.80E+04 100 0 0 -8.0035106911 .0021946813 5. 635-642 Unconfined fluid P (Pa) Pore radius (m) delta/sigma Ep/k lnphiV 1.27E+05 100 0 0 -0.69E+05 100 0 0 -0.002936997 7.52E+05 100 0 0 -0.88E+05 100 0 0 -0.of state for confined fluids em specifications.47E+05 100 0 0 -0.0009786876 2.85E+05 100 0 0 -0. Eng.69E+05 100 0 0 -0.19E+05 100 0 0 -0.0003773742 1. Data 2005. 50.35E+05 100 0 0 -0.57E+05 100 0 0 -0.90E+04 100 0 0 -0.0014551423 3. of calculations.04E+05 100 0 0 -0.40E+04 100 0 0 -0.0002563451 8.0026992993 6.107416502881E-05 3. g Zhou.0032182644 8.10E+05 100 0 0 -0.0006587818 1.0011247043 2.0012835603 3.0016393276 4. Chem.70E+04 100 0 0 -0. J.97E+05 100 0 0 -0.0024540574 6.

0042532365 2.8 0.1 0. 8.0 0 0.6 0.6 Adsorbed amount (mol/kg) 1.5 0.0 1.8 Pressure (MPa) .3 0.4 0.96E+05 100 0 0 -0.6 0.81E+05 100 0 0 -0.8 1.2 0.2 1.003895913 9.7 0.4 0.4 1.2 0.0 0.

13E+06 6.93E-10 13.95055 1 7.60319 1 1.50441 1 8.10E+06 6.77E+06 6.56E+05 6.11314 1 5.89E+06 6.93E-10 13.93E-10 13.59384 1 8.13E+06 6.93E-10 11.93E-10 12.20E+05 6.56943 1 3.93E-10 12.41060 1 7.93E-10 10.98E+06 6.54E+06 6.43606 1 3.29585 1 2.45E+06 6.79805 1 2.33819 1 1.37E+06 6.93E-10 11.75E+06 6.57114 1 5.70E+06 6.93E-10 13.34E+06 6.07E+06 6.81691 1 4.93E-10 12.43E+06 6.32424 1 6.12458 1 2.93E-10 13.93E-10 12.22697 1 6.93E-10 12.42E+06 6.89753 1 1.93E-10 13.42E+05 6.93E-10 .93E-10 12. Use Solver to zero this cell by changing P of the confined fluid Confined fluid ln fug = ln phi + ln P x P (Pa) Pore radius (m) 9.93E-10 11.98117 1 5.93E+06 6.69626 1 3.93E-10 10.93E-10 12.

50E+06 6.70124 1 9.02E+07 6. 13.8 0.93E-10 13.7 0.93E-10 Calculated Experimental 0.9 1 MPa) .79207 1 1.6 0.

40292 923.40292 923.29585 0.40292 923.40292 923.5105956564 12.261 -2.81691 0.33819 0.261 -2.5988703239 9.5911446412 10.11314 0.40292 923.261 -2.40292 923.4702672674 12.5751554604 11.566412957 11.56943 0.y changing P of the confined fluid delta/sigma Ep/k lnphiV ln fug = ln phi + ln P 0.59384 .40292 923.12458 0.95055 0.261 -2.60319 0.261 -2.40292 923.3991784605 13.4398972587 13.261 -2.50441 0.4994642144 12.79805 0.4878384368 12.32424 0.261 -2.261 -2.40292 923.69626 0.261 -2.261 -2.261 -2.41060 0.40292 923.4137493165 13.261 -2.4264312479 13.40292 923.40292 923.261 -2.5846593417 10.261 -2.40292 923.40292 923.43606 0.89753 0.5539407055 11.57114 0.40292 923.261 -2.5418934826 12.261 -2.40292 923.3844927549 13.4545950662 13.261 -2.5211787529 12.261 -2.98117 0.40292 923.40292 923.22697 0.40292 923.261 -2.5311575539 12.

3658071141 13.0.261 -2.79207 .40292 923.3490876947 13.70124 0.261 -2.40292 923.

9442106217 0.0004905201 2038.7275530752 0.3375711304 0.00000E+00 0.00000E+00 0.00000E+00 0.0008553722 1169.00000E+00 0.00000E+00 0.00000E+00 0.0003654447 2736.9876330619 .00000E+00 0.0103046422 97.0003914024 2554.00000E+00 0.7689518187 0.0005442658 1837.00000E+00 0.9154464735 0.Equilibrium condition Confined fluid delta (ln fug) Molar volume (m3/mol) Molar density (mol/m3) 0.0023141647 432.00000E+00 0.00000E+00 0.0033472481 298.00000E+00 0.0007633954 1309.0004173877 2395.652280799 0.001805768 553.0009659508 1035.0436410855 0.0817110158 0.00000E+00 0.00000E+00 0.7809862035 0.1213581804 0.0003427019 2917.7528747703 0.00000E+00 0.3924895087 0.0011234638 890.8541488598 0.0004492829 2225.9371383709 0.1043113701 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.0006213945 1609.0006863681 1456.0503159158 0.0013779276 725.2494111797 0.283642539 0.0048297439 207.

24819E-08 0.0002984397 3350.243302651 6.0003177384 3147.0.00000E+00 0.7610138691 .

28068E-05 0.4729 1.37738 0.42292 1.46285 0.9705 2.8565 3.81338E-04 0.59075E-06 0.57241E-04 1.93916E-04 1.1566 1. Adsorbed amount (mol/kg) Deviation^2 (mol/kg)^2 0.176 3.04 1.15535 0.4329 9.27541E-04 1.55877E-06 0.51735 1.Calc Adsorbed amount (mol/kg) Exper.22470 0.06010 1.3457 2.68117 0.53833 0.87007E-04 0.12820E-04 0.2964 7.81616E-05 0.09468E-04 0.54914E-04 .7661 7.05046 0.5298 1.45965E-04 1.88402E-05 0.60792 0.5437 2.86352E-04 1.24584 1.32856 1.6141 3.079 3.83683 0.6897 7.15740 1.388 1.95542 0.28797 0.95187E-05 1.20633E-05 0.00917E-04 0.75761 0.2655 3.10767 0.2278 9.11305E-05 0.0942 1.

42456E-09 1.63657 1.46968E-05 Total (deviation)^2 3.735 5.6365 4.74240 1.1.10585E-03 .

735 0.435 0.252 0.288 0.039 0.084 0.6135 0.5565 0.669 0.018 0.Unconfined fluid P (MPa) 0.219 0.147 0.369 0.804 .1095 0.057 0.1845 0.4965 0.327 0.

8955 0.981 .0.

Res. Ind.40E+06 omega 0.289 kij 0 Temperature (K) Molar mass (g/mol) Molar mass (kg/mol) Ideal gas cp coefficients R (SI) . Color convention: Cells such as this one are problem specificatio Other numeric cells are results of calculations.Physical properties from the Patel-Teja-Valderrama equation of state Reference: J. Eng.301261 Zc 0. Normal boiling temperature of n-hexane (i.0132 Example of sound speed calculation Use SI units throught the calculation Nitrogen DIPPR data Tc(K) 126.e.0132 bar) R 83. O. Chem.2 Pc(Pa) 3.. at a pressure of 1 atm = 1.266 kij 0 x Pespec 1 1.6 Pc(bar) 3.14 T(K) 300 Compute using Solver n-hexane DIPPR data Tc(K) 507. 42 (2003) 1603–1618.0377215 Zc 0. Valderrama.03E+01 omega 0.

5132 1 11.0132 1 5.0132 1 2.5132 1 4.0132 1 13.5132 1 22.0132 1 3.0132 1 24.0132 1 23.0132 1 19.x Pespec (bar) 1 1.0132 1 20.5132 1 7.0132 1 15.5132 1 21.5132 1 18.0132 1 21.5132 1 12.5132 1 2.0132 1 7.5132 1 8.5132 1 14.5132 1 24.5132 1 16.0132 1 14.0132 1 9.0132 1 11.5132 1 19.0132 1 22.0132 1 8.5132 1 17.0132 1 6.5132 1 10.5132 1 6.5132 1 3.5132 1 23.5132 1 20.0132 1 18.0132 1 1.5132 .5132 1 13.5132 1 9.0132 1 12.5132 1 15.5132 1 5.0132 1 4.0132 1 10.0132 1 16.0132 1 17.

cm3/(mol.K)) 83. Find its pressure 200 m below.21 Pc(bar) 73.83 omega 0. 1 25. to a final condition at 10 bar.14 T(K) 333 R (for gravitational and centrifugal fields) 8314 Gravity acceleration (m/s^2) 9. initially at 250 K and 100 bar.0132 1 25.81 Radial speed (radians/s) 0 CO2 DIPPR data Molar mass 44 Tc(K) 304.2 .274 kij 0 The CO2 pressure is specified at level 0 m. When a substance (or mixture) is present in a large system with depths of hundreds of meters the effect of position This is formulated by modifying the formula for the fugacity (ln fug (CO2)) in the table below) to account for the effec R (bar.223621 Zc 0. Level (m) Radial position (m) x(CO2) 0 0 1 -200 0 1 Isenthalpic expansion The expansion of a fluid stream (pure substance or mixture) from a high pressure to a low pressure condition in a pe Consider the expansion of a Nitrogen stream.5132 Effect of external fields (gravitational and centrifugal) on phase equilibrium. and determ Use SI units throught the calculation Nitrogen Nitrogen DIPPR data Tc(K) 126.

314 Reference T (K) for entropy calculations 300 Reference P (Pascal) for entropy calculations 100000 Mole fraction Pressure (Pascal) Before the equipment 1 10000000 After the equipment 1 7000000 .36E-02 R (J/(mol.2 Pc(Pa) 3.15 -1.Pc(Pa) 3.0377215 Zc 0.40E+06 omega 0.15 -1.K)) 31.36E-02 R (J/(mol.K)) 31.289 kij 0 (T^0) coefficient (T^1) coefficient Ideal gas cp coefficients (cp in J/(mol.0377215 Zc 0.314 Reference T (K) for enthalpy calculations 300 Mole fraction Pressure (Pascal) Before the valve 1 10000000 After the valve 1 1000000 Isentropic expansion The expansion of a fluid stream (pure substance or mixture) from a high pressure to a low pressure condition in a pe Consider the expansion of a Nitrogen stream.K)) 8. initially at 250 K and 100 bar.40E+06 omega 0. to a final condition at 70 bar.K)) 8. and determ Use SI units throught the calculation Nitrogen DIPPR data Tc(K) 126.289 kij 0 (T^0) coefficient (T^1) coefficient Ideal gas cp coefficients (cp in J/(mol.

even though the specified final pressures are very different. .Observe that the final temperatures of the isenthalpic and isentropic expansions are similar (about 226 K). Try to undestand this by looking at a PH diagram.

lnphiL lnphiV deltalnphi #NAME? #NAME? #NAME? Use Solver to zero this cell by changing T.314 .ne are problem specifications.36E-02 2.15 -1. are results of calculations. Computed with Computed with Computed with function function spreadsheet ptvnphil ptvlnphiv function. 300 28.028013 31.013 0.68E-05 8.

95E+01 #NAME? #NAME? #NAME? 751320 2.95E+01 #NAME? #NAME? #NAME? 701320 2. formula formula Pespec(Pa) cpig (J/(mol.95E+01 #NAME? #NAME? #NAME? 451320 2.95E+01 #NAME? #NAME? #NAME? 1401320 2.95E+01 #NAME? #NAME? #NAME? 2051320 2.95E+01 #NAME? #NAME? #NAME? 1151320 2.95E+01 #NAME? #NAME? #NAME? 901320 2.95E+01 #NAME? #NAME? #NAME? 2101320 2.95E+01 #NAME? #NAME? #NAME? 801320 2.95E+01 #NAME? #NAME? #NAME? 2351320 2.95E+01 #NAME? #NAME? #NAME? 1001320 2.95E+01 #NAME? #NAME? #NAME? 1251320 2.95E+01 #NAME? #NAME? #NAME? 1051320 2.95E+01 #NAME? #NAME? #NAME? 1601320 2.95E+01 #NAME? #NAME? #NAME? 151320 2.95E+01 #NAME? #NAME? #NAME? 551320 2.95E+01 #NAME? #NAME? #NAME? 1451320 2.95E+01 #NAME? #NAME? #NAME? 1101320 2.95E+01 #NAME? #NAME? #NAME? 1551320 2.95E+01 #NAME? #NAME? #NAME? 2001320 2.95E+01 #NAME? #NAME? #NAME? 2301320 2.95E+01 #NAME? #NAME? #NAME? 1801320 2.95E+01 #NAME? #NAME? #NAME? 1651320 2.95E+01 #NAME? #NAME? #NAME? 601320 2.95E+01 #NAME? #NAME? #NAME? 2401320 2.95E+01 #NAME? #NAME? #NAME? 1351320 2.Spreadsheet Spreadsheet These 4 columns were calculated with array function svsoundspeedv.95E+01 #NAME? #NAME? #NAME? 951320 2.95E+01 #NAME? #NAME? #NAME? 1901320 2.95E+01 #NAME? #NAME? #NAME? 2201320 2.95E+01 #NAME? #NAME? #NAME? 1951320 2.95E+01 #NAME? #NAME? #NAME? 651320 2.95E+01 #NAME? #NAME? #NAME? 1501320 2.K)) rho (mol/m3) dpdrho (Pa/(mol/m3)) cprr (K) 101320 2.95E+01 #NAME? #NAME? #NAME? .95E+01 #NAME? #NAME? #NAME? 201320 2.95E+01 #NAME? #NAME? #NAME? 351320 2.95E+01 #NAME? #NAME? #NAME? 401320 2.95E+01 #NAME? #NAME? #NAME? 2151320 2.95E+01 #NAME? #NAME? #NAME? 1201320 2.95E+01 #NAME? #NAME? #NAME? 301320 2.95E+01 #NAME? #NAME? #NAME? 501320 2.95E+01 #NAME? #NAME? #NAME? 1751320 2.95E+01 #NAME? #NAME? #NAME? 1701320 2.95E+01 #NAME? #NAME? #NAME? 1301320 2.95E+01 #NAME? #NAME? #NAME? 2451320 2.95E+01 #NAME? #NAME? #NAME? 1851320 2.95E+01 #NAME? #NAME? #NAME? 251320 2.95E+01 #NAME? #NAME? #NAME? 851320 2.95E+01 #NAME? #NAME? #NAME? 2251320 2.

2501320 2.95E+01 #NAME? #NAME? #NAME?
2551320 2.95E+01 #NAME? #NAME? #NAME?

ters the effect of position on properties is relevant.
w) to account for the effect of the gravitational field.

Function Spreadsheet Spreadsheet
ptvlnphiv formula formula
Pespec (bar) lnphiv (CO2) ln fug (CO2) Function This function is the difference be
8 #NAME? #NAME?
8 #NAME? #NAME? #NAME? Use Solver to zero this cell
Compute using
Solver

pressure condition in a perfectly insulated valve (throtlting) is an isenthalpic process.

ition at 10 bar, and determine its final temperature.

(T^2) coefficient (T^3) coefficient
2.68E-05 -1.17E-09

Spreadsheet These 4 columns were calculated with array function ptvresv.
formula
Temperature (K) Ideal gas h (J/mol) gr/(RT) hr/(RT) sr/R
250 -1471.30 #NAME? #NAME? #NAME?
250.00 -1471.30 #NAME? #NAME? #NAME?
Compute using
Solver

pressure condition in a perfectly insulated reversible turbine is an isentropic process.

ition at 70 bar, and determine its final temperature.

(T^2) coefficient (T^3) coefficient
2.68E-05 -1.17E-09

Spreadsheet These 4 columns were calculated with array function ptvresv.
formula
Temperature (K) Ideal gas s (J/(mol.K)) gr/(RT) hr/(RT) sr/R
250 -4.37E+01 #NAME? #NAME? #NAME?
250.00 -4.07E+01 #NAME? #NAME? #NAME?
Compute using

Solver

r (about 226 K),
ng at a PH diagram.

changing T.

-1.17E-09

svsoundspeedv. These columns were calculated using spreadsheet formulas

dpdt (Pa/K) cpresidual (J/(mol.K)) cp (J/(mol.K)) cv (J/(mol.K)) gama=cp/cv
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
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#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME? #NAME?

#NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? nction is the difference between ln fug values at two different positions. lver to zero this cell .

K))Molar s (J/(mol. Spreadsheet Spreadsheet formula formula cpr/R Residual s (J/(mol. Spreadsheet Spreadsheet formula formula cpr/R Residual h (J/mol) Molar h (J/mol) #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? Delta h (J/mol) #NAME? Use Solver to zero this cell The flowrates before and after the valve are equal (steady-state assumption).K)) #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? . the molar enthalpies must be equal. Hint: use Solver to zero the Delta h cell by changing the temperature after the valve. if the enthalpies are equal. Therefore.

the molar entropies must be equal.Delta s (J/(mol. Therefore.K)) #NAME? Use Solver to zero this cell The flowrates before and after the valve are equal (steady-state assumption). Hint: use Solver to zero the Delta s cell by changing the temperature after the valve. . if the entropies are equal.

sound speed (m/s) #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .

#NAME? #NAME? .

. e assumption). ust be equal.

s must be equal.e assumption). .

delta^2 0 0 Sum (delta^2) 0 .

0 0 0 0 0 .

R. Other numeric cells are results of calculations.0593922395 Example of sound speed calculation Use SI units throught the calculation Nitrogen Tc(K) 126.5603227559 -0.e. at a pressure of 1 atm = 1.1236 omega 0.cm3/(mol. J. Engng.028013 Ideal gas cp coefficients R (SI) 8. J.. and Vera..039 kij 0 Temperature (K) 300 Molar mass (g/mol) 28.013 Molar mass (kg/mol) 0. (1986) 64.H.5 Pc(bar) 30. PRSV: An Improved Peng-Robinson Equation of State for Pure Compounds and Mixtures Can. Normal boiling temperature of n-hexane (i.14 T(K) 300 Compute using Solver n-hexane Tc(K) 507.0132 bar) R ((bar.314 .2 Pc(Pa) 3. Chem. Color convention: Cells such as this one are problem specifications.K)) 83.05104 kij 0 Computed with Computed with function function svlnphil svlnphiv x P (bar) lnphiL lnphiV 1 1.30075 K1 0.39E+06 omega 0.0132 -1. 323-333.Physical properties from the Stryjek-Vera equation of state Reference: Stryjek.

95E+01 1 5.95E+01 1 8.95E+01 1 14.5132 451320 2.95E+01 1 14.95E+01 1 2.95E+01 1 2.0132 701320 2.95E+01 1 17.5132 1751320 2.95E+01 1 21.95E+01 1 12.95E+01 1 22.95E+01 1 3.0132 601320 2.95E+01 1 10.95E+01 1 22.5132 1251320 2.95E+01 1 19.0132 1001320 2.0132 1501320 2.95E+01 1 11.95E+01 1 17.95E+01 1 12.5132 651320 2.95E+01 1 20.0132 501320 2.5132 951320 2.95E+01 1 6.95E+01 1 7.0132 1801320 2.0132 1901320 2.0132 101320 2.95E+01 1 15.5132 1951320 2.95E+01 1 21.0132 1301320 2.0132 2101320 2.95E+01 1 13.5132 851320 2.95E+01 1 5.5132 1551320 2.0132 901320 2.95E+01 1 7.5132 2051320 2.95E+01 1 4.95E+01 1 3.0132 1201320 2.95E+01 1 6.95E+01 1 10.5132 1051320 2.0132 1601320 2.0132 2001320 2.95E+01 1 4.5132 751320 2.K)) 1 1.5132 551320 2.0132 201320 2.0132 1101320 2.5132 251320 2.95E+01 1 20.95E+01 1 16.95E+01 1 8.5132 2151320 2.0132 401320 2.0132 801320 2.95E+01 1 9.95E+01 1 9.95E+01 .0132 301320 2.5132 1651320 2.95E+01 1 18.5132 2251320 2.95E+01 1 16.5132 351320 2.5132 151320 2.0132 2201320 2.95E+01 1 13.5132 1151320 2.5132 1451320 2.95E+01 1 11.95E+01 1 19.5132 1851320 2. Spreadsheet Spreadsheet formula formula x Pespec (bar) Pespec(Pa) cpig (J/(mol.0132 1401320 2.0132 1701320 2.95E+01 1 18.5132 1351320 2.95E+01 1 15.95E+01 1 1.

0132 2301320 2.95E+01 1 24.0132 2501320 2.95E+01 1 25.1 23.0132 2401320 2.95E+01 .5132 2551320 2.95E+01 1 24.95E+01 1 25.5132 2351320 2.95E+01 1 23.5132 2451320 2.

Computed with spreadsheet function. deltalnphi -1.36E-02 2.17E-09 . 31.15 -1.68E-05 -1.5009305164 Use Solver to zero this cell by changing T.

These 4 columns were calculated with array function svsoundspeedv.K)) #NAME? #NAME? #NAME? #NAME? 0. These columns were calculated using rho (mol/m3) dpdrho (Pa/(mol/m3)) cprr (K) dpdt (Pa/K) cpresidual (J/(mol.0538038441 #NAME? #NAME? #NAME? #NAME? 0.0803364153 #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .

#NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .

3960223205 352.K)) cv (J/(mol.mns were calculated using spreadsheet formulas cp (J/(mol.5398004153 #NAME? 1.2906421553 29.5132678441 #NAME? 1.3363347104 #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .K)) gama=cp/cv sound speed (m/s) 29.395084412 352.

#NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .

6 417 Pc (bar) 83. Jabloniec.007 c1 0.0069 a Cl2 132 0 HCl 0 0 b Cl2 0 0 HCl 0 0 c Cl2 0 0 HCl 1 0 Cl2 0 1 R ((bar.3 0.056 1.66635 0.01934 c3 -1.. Vapor-liquid equilibrium of the mixture HCl+Cl2 HCl Cl2 Tc (K) 324.95 #NAME? #NAME? 0.53 q 1.44 HCl 0 2.Physical properties from the Predictive SRK Equation of State Reference: Horstmann.6 #NAME? #NAME? 0. x1 x2 ln phi 1 l ln phi 2 l 0.2 0.15 0.3766 0.4 0. Krafczyk. A.1 0.02 0. Other numeric cells are results of calculations. J. Gmehling PSRK group contribution equation of state: comprehensive revision and extension IV: including critical con Fluid Phase Equilibria 227 (2005) 157-164.35 0.59414 HCl Cl2 r 1.85 #NAME? #NAME? 0. S.45 0.7 #NAME? #NAME? 0.256 1.K)) 83.65 #NAME? #NAME? 0.9 #NAME? #NAME? 0.55192 c2 0.25 0. Color convention: Cells such as this one are problem specifications.98 #NAME? #NAME? 0.15 Calculated as (1-x1) with spreadsheet These 2 columns were calculated with formula array function psrklnphil.55 #NAME? #NAME? .8 #NAME? #NAME? 0.0865 77.14 T (K) 273.05 0.75 #NAME? #NAME? 0.35497 0.cm3)/(mol. J. K. Fischer.

1 #NAME? #NAME? 0.15 #NAME? #NAME? 0.99 0.8 0.58321 c3 10.5 #NAME? #NAME? 0.75 0.2 0.5 0 0 0.8 647.85 0.6 Mole fracton of HCl Vapor-liquid equilibrium of the mixture HCN+H2O HCN H2O Tc (K) 456.92 q 1.35 #NAME? #NAME? 0.19 1.3 #NAME? #NAME? 0.5 2 1.05 #NAME? #NAME? 0.3 Pc (bar) 53.95 0.45 #NAME? #NAME? 0.5 1 0.9049 220.25 #NAME? #NAME? 0.62716 1.15K Pressure (MPa) 3 2.34189 0. 0.00731 -0.55 0.524 a H2O 261.4 HCN 0 79.0783 c2 -5.5 0.4 #NAME? #NAME? 0.6 0.9 0.01 #NAME? #NAME? HCl+Cl2 at 273.2 0.7 0.73 0 HCN 0 0 b H2O 0 0 HCN 0 0 c H2O 0 0 HCN 1 0 H2O 0 1 .54619 HCN H2O r 1.4 0.2 #NAME? #NAME? 0.48321 c1 1.65 0.

01 #NAME? #NAME? HCN+H2O at 291.1 0.8 #NAME? #NAME? 0.R ((bar.25 0.8 0.65 0.15 0.15 Calculated as (1-x1) with spreadsheet These 2 columns were calculated with formula array function psrklnphil.9 #NAME? #NAME? 0.65 #NAME? #NAME? 0.14 T (K) 291.3 #NAME? #NAME? 0.75 0.cm3)/(mol.5 #NAME? #NAME? 0.99 0.7 0.01 0.95 0.55 0.4 0.6 0.35 #NAME? #NAME? 0.85 #NAME? #NAME? 0.1 #NAME? #NAME? 0.15K Pressure (kPa) 90 80 70 60 50 40 30 20 10 0 0 0.25 #NAME? #NAME? 0.15 #NAME? #NAME? 0.05 0.45 0.8 Mole fracton of HCN .9 0.4 0.45 #NAME? #NAME? 0.05 #NAME? #NAME? 0.55 #NAME? #NAME? 0.2 #NAME? #NAME? 0.2 0.K)) 83.3 0.35 0.99 #NAME? #NAME? 0.6 0.4 #NAME? #NAME? 0.6 #NAME? #NAME? 0.7 #NAME? #NAME? 0. x1 x2 ln phi 1 l ln phi 2 l 0.85 0.5 0.95 #NAME? #NAME? 0.2 0.75 #NAME? #NAME? 0.

13 ACH -11.13 a CH2 0 0 61.7 562.848 0.4 CH3 0 0 61.93997 c1 0.1 Pc (bar) 33.71 0.6744 0.9011 0.54 0.5313 q 0.69056 48.29 #NAME? #NAME? Chemical Equilibrium This is an advanced example with four simultaneous chemical reactions.57909 -0. x1 x2 ln phi 1 l ln phi 2 l 0. originally discussed in th .92983 0.12 0 CH3 0 0 0 b CH2 0 0 0 ACH 0 0 0 CH3 0 0 0 c CH2 0 0 0 ACH 0 0 0 n-pentane 2 3 0 benzene 0 0 6 R ((bar.8356 c2 -0.375 c3 1.9715 CH3 CH2 ACH r 0.14 P (bar) T (K) 353.15 Calculated as (1-x1) with spreadsheet These 2 columns were calculated with formula array function psrklnphil.cm3)/(mol.1375 0.12 -11.Vapor-liquid equilibrium and residual properties of the mixture n-pentane+benzene n-pentane benzene Tc (K) 469.K)) 83.

176 CH3 0 0 86.10396 c3 0 0 0.96 315.36 -35.44 CH3 0 0 0 CH2 0 0 0 b CH2=CH 0 0 0 CH2=CH2 0 0 0 CH4 -0.6744 1.02 a CH2=CH -35.2042 c1 0.78 H2 315.00156 -0.9696 50.36 0 CH4 68.4563 -0.7091 c2 0 0 -0.96 399.02 CH2 0 0 86.35 365 Pc (bar) 12.2 282.5806 CH3 0 0 0 CH2 0 0 0 c CH2=CH 0 0 0 CH2=CH2 0 0 0 CH4 0 0 0 H2 -0.54 1.848 0.61252 0.4563 -0.00156 0 H2 0 0 0 .The four reactions are: H2 C2H4 C3H6 Tc (K) 33.1252 0.3454 q 0.9011 0.141 18.7386 -0.14989 CH3 CH2 CH2=CH r 0.141 68.36 0 CH2=CH2 -35.41628 46.7386 0 H2 -0.36 -35.

673000 2. Initial amounts H2 C2H4 C3H6 CH4 1 2 2 0 .131000 -0.318167 -4150. For a given estimate of the extents of reaction.655000 -0.913000 2.000000 Reaction 4' -1. C2H4 0 0 0 Description C3H6 1 0 1 by groups CH4 0 0 0 C2H6 2 0 0 C3H8 2 1 0 Parameters of the chemical reaction equilibrium constants were taken from the work Carrero-Mantilla and L T (K) 700 Equilibrium constants A B*10^3 C*10^6 D Reaction 1' 0.000000 Reaction 3' -2.cm3/(mol.14 P (bar) 50 Numerical solution The initial amounts are specified.000000 Reaction 2' -3.123300 0. The unknowns are the extents of reaction.828500 -0.947000 -0.400333 0.K)) 83.5660 2. and then. the amounts of all components can be computed.624000 0.000000 Stoichiometric coefficients H2 C2H4 C3H6 CH4 Reaction 1' 0 -1 1 0 Reaction 2' -1 0 -1 0 Reaction 3' 0 -1 0 -2 Reaction 4' 0 -1 0 -1 R (bar. These initial values should be carefully chosen in such a way that the component amounts and mole fractions are al The extents of reaction provided in this file are good initial estimates for the problem conditions and will lea You may try other initial values to observe it is not easy to provide initial values in this problem. the chemical equilibrium equations will not be satisfied and there will be a r Excel Solver was used to minimize this residue by simultaneously changing the values of the four extents of reaction This is a difficult example because the calculations are sensitive to the initial values used for the extents of reaction.378000 0. their mo If the extents of reaction are not correct.

2891092317 -0. Equilibrium mole fractions H2 C2H4 C3H6 CH4 2.0511507643 0.55753821600315E-06 0.6930954141 0.3913426311 0.1790276751 Fugacities H2 C2H4 C3H6 CH4 #NAME? #NAME? #NAME? #NAME? Chemical Equilibrium equations Reaction 1' Reaction 2' Reaction 3' Reaction 4' -0.2677299136 .5827264941 -0.

5128624169 0.4350489534 #NAME? #NAME? 0.6157230032 #NAME? #NAME? 0.8184135087 4.2031607569 14.3940488491 9.647987083 5.2881686868 11.1815864913 0.V: including critical constants and alpha-function parameters for 1000 components Calculated as (1-y2) with These columns were calculated with spreadsheet The values in these two columns spreadsheet formulas.8536671753 #NAME? #NAME? 0.8997465094 . formula were computed using Excel Solver.7459566681 0.4871375831 7.0450857865 #NAME? #NAME? 0.2540433319 12.4984096134 #NAME? #NAME? 0.937999251 #NAME? #NAME? 0.1828218008 15.6674625011 0.22643895 13.6964260313 #NAME? #NAME? 0. Ln(x1)+ ln phi1 l Ln(x2)+ ln phi2 l y1 y2 P(bar) #NAME? #NAME? 0.8171781992 0.7627795809 #NAME? #NAME? 0.9280242799 #NAME? #NAME? 0.77356105 0.3325374989 10.7118313132 0.6059511509 0.7968392431 0.352012917 0.

6290553279 #NAME? #NAME? 0.3458469818 #NAME? #NAME? 0.05317508 23.1475233461 17.8274268558 #NAME? #NAME? 0.0186972922 25.6 0.1004557762 20.15K Bubble line Dew line 0.8 1 e fracton of HCl .085027512 21.5238931929 #NAME? #NAME? 0.2674671062 #NAME? #NAME? 0.2880702505 #NAME? #NAME? 0.3157051337 #NAME? #NAME? 0.0693343262 22.733513849 #NAME? #NAME? 0.9636412757 0.2599960864 #NAME? #NAME? 0.8841607717 0.0363587243 24.8524766539 0.4268445495 #NAME? #NAME? 0.9813027078 0.003831717 26. #NAME? #NAME? 0.8355062153 0.1314288616 18.996168283 0.9306656738 0.8685711384 0.94682492 0.8995442238 0.914972488 0.1644937847 16.1158392283 19.1867534589 HCl+Cl2 at 273.

027946117 #NAME? #NAME? #NAME? 0.9504081555 0.0289627893 #NAME? #NAME? #NAME? 0.7280824512 0.9752433417 0.0070664473 #NAME? #NAME? #NAME? 0. formula. Ln(x1)+ ln phi1 l Ln(x2)+ ln phi2 l y1 y2 ln phi 1 v #NAME? #NAME? 0.0169462381 #NAME? #NAME? #NAME? 0.9699789274 0. Calculated as (1-y2) with These columns were calculated with spreadsheet Computed using These 2 columns were calculated with spreadsheet formulas.9198676064 0.029428457 #NAME? #NAME? #NAME? 0.9873829974 0.0285022838 #NAME? #NAME? #NAME? 0.9984488458 0.9714977162 0.9651329703 0.9710372107 0.0300210726 #NAME? #NAME? #NAME? 0.0247566583 #NAME? #NAME? #NAME? 0.0015511542 #NAME? HCN+H2O at 291.0126170026 #NAME? #NAME? #NAME? 0.0801323936 #NAME? #NAME? #NAME? 0.0261716824 #NAME? #NAME? #NAME? 0.0323583307 #NAME? #NAME? #NAME? 0.9604572116 0.0202901304 #NAME? #NAME? #NAME? 0.972053883 0.9690914183 0.9830537619 0.9771593133 0. array function psrklnphiv.9727991976 0.9738283176 0.6 0.970571543 0.0228406867 #NAME? #NAME? #NAME? 0.9676416693 0.15K Bubble line Dew line 0.9929335527 0.0309085817 #NAME? #NAME? #NAME? 0. Excel Solver.2719175488 #NAME? #NAME? #NAME? 0.0395427884 #NAME? #NAME? #NAME? 0.0348670297 #NAME? #NAME? #NAME? 0.0495918445 #NAME? #NAME? #NAME? 0.9797098696 0.8 1 cton of HCN .0272008024 #NAME? #NAME? #NAME? 0.

These 4 columns were calculated with array function psrkresl.2188591531 Objective function: residue inally discussed in the following reference: . gr/(RT) liquid hr/(RT) liquid sr/R liquid cpr/R liquid Ln(x1)+ ln phi1 l #NAME? #NAME? #NAME? #NAME? -0. These columns were calculated with spreadsheet formulas.e+benzene 3.0396186642 Computed using Excel Solver.

571 86.75108 0 -0.4 369.8727 0 0 -0.416 1.31941 0 0.101 613.3 0 38.3564 1.8459 -2.02 -39.006638 0 0 0.68638 0.00155 48.42475 -0.02 -39.8459 -2.49258 0.602 585 0 38.44 128.3 86.78 0 253.101 613.1292 0.92 399.3098 1.006638 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 .5806 0 0 0 0 0.6 305.72531 0.602 585 18.8727 0 0 0 -0. CH4 C2H6 C3H8 190.55 0 0 0.59617 CH2=CH2 CH4 H2 1.45518 0.5418 0 0.5418 0 0 -0.95 46.124 0.83865 42.

0181438811 9.958900 -2.220200 2. their mole fractions. and fugacities.71 0. his problem. he four extents of reaction. sfied and there will be a residue.127914 7. 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 k Carrero-Mantilla and Llano Restrepo (2006) E*10^(-3) F ln K 1. Extents of reaction C2H6 C3H8 csi 1 csi 2 csi 3 0 0 1.99999 -0.7393956667 14.6013949973 8.665200 5. fugacity coefficients.588485 -4. m conditions and will lead to convergence when Solver is applied.543700 -4.79 .028224 -0. and then. and mole fractions are all positive.426171 0.1200009667 C2H6 C3H8 1 -1 0 1 2 0 0 1 puted. or the extents of reaction.

Fugacity coefficients C2H6 C3H8 H2 C2H4 C3H6 0.0434755921 #NAME? #NAME? #NAME? C2H6 C3H8 #NAME? #NAME? Residue 0.0332479968 0.6479826763 .

ln phi 1 v ln phi 2 v Ln(y1)+ ln phi1 v Ln(y2)+ ln phi2 v #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? . spreadsheet formulas.These 2 columns were calculated with These columns were calculated with array function psrklnphiv.

.#NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? Excellent agreement with the results of Horstmann et al. (2005).

columns were calculated with These columns were calculated with Computed using nction psrklnphiv.5266844852 #NAME? #NAME? #NAME? 0. .5960041728 #NAME? #NAME? #NAME? 0.5886380668 #NAME? #NAME? #NAME? 0.2487601073 #NAME? #NAME? #NAME? 0.6685646187 #NAME? #NAME? #NAME? 0.577159648 #NAME? #NAME? #NAME? 0.6881806144 #NAME? #NAME? #NAME? 0.7381556896 #NAME? #NAME? #NAME? 0. Excel Solver.0756726818 #NAME? #NAME? #NAME? 0.558227264 #NAME? #NAME? #NAME? 0. spreadsheet formulas. ln phi 2 v Ln(y1)+ ln phi1 v Ln(y2)+ ln phi2 v P (bar) #NAME? #NAME? #NAME? 0. (2005).3887115143 #NAME? #NAME? #NAME? 0.7112785036 #NAME? #NAME? #NAME? 0.61895169 #NAME? #NAME? #NAME? 0.6276600033 #NAME? #NAME? #NAME? 0.4744563146 #NAME? #NAME? #NAME? 0.6120667381 #NAME? #NAME? #NAME? 0.6064746112 #NAME? #NAME? #NAME? 0.6014579535 #NAME? #NAME? #NAME? 0.7625823848 Excellent agreement with the results of Horstmann et al.6521381234 #NAME? #NAME? #NAME? 0.6386066007 #NAME? #NAME? #NAME? 0.

Excel Solver. formula. . Calculated as (1-y1) with olumns were calculated with Computed using spreadsheet These 2 columns were calculated with heet formulas.8677828253 0. Ln(x2)+ ln phi2 l y1 y2 ln phi 1 v -2. array function psrklnphiv.1070798931 0.552590592993E-12 Solver was used to minimize this residue by changing P and y1.1322171747 #NAME? 1.

00001 0.88 0.2 2. Equilibrium amounts csi 4 H2 C2H4 C3H6 0.71001 0 .

coefficients CH4 C2H6 C3H8 #NAME? #NAME? #NAME? .

9045085787 #NAME? 1.Solver was used to minimize this Unit conversion residue by using changing y2 spreadsheet and P (bar).1696426031 #NAME? 1.7498409613 #NAME? 0.392802428 #NAME? 1.5762779581 #NAME? 0.4615723003 #NAME? 0.2853667175 #NAME? 1.4937999251 #NAME? 1.5899746509 . formula residue P (Mpa) #NAME? 0.0435048953 #NAME? 1.

042684455 #NAME? 2.7733513849 #NAME? 1.4267467106 #NAME? 2.6186753459 of Horstmann et al.5315705134 #NAME? 2. .9523893193 #NAME? 2.8629055328 #NAME? 1.6827426856 #NAME? 1. (2005).1345846982 #NAME? 2. #NAME? 1.2288070251 #NAME? 2.3259996086 #NAME? 2.

7660003305 #NAME? 63.6474611189 #NAME? 61.4456314556 #NAME? 52.8760107251 #NAME? 38.8155689637 #NAME? 76. .5672681815 #NAME? 24.6684485182 #NAME? 55.1278503629 #NAME? 73.2582384803 of Horstmann et al.1457953534 #NAME? 60. Solver was used to minimize this Unit conversion residue by using changing y2 spreadsheet and P (bar). (2005).8711514334 #NAME? 47.8180614416 #NAME? 71.8638066823 #NAME? 59.2138123357 #NAME? 66.7159648 #NAME? 58.8564618727 #NAME? 68.2066738076 #NAME? 61. formula residue P (kPa) #NAME? 7.6004172783 #NAME? 60.895168996 #NAME? 62.8227263976 #NAME? 57.860660067 #NAME? 65.

umns were calculated with These 4 columns were calculated with array function psrkresv. on psrklnphiv. ln phi 2 v gr/(RT) vapor hr/(RT) vapor sr/R vapor cpr/R vapor #NAME? #NAME? #NAME? #NAME? #NAME? .

13 0.16999 3.7 0.CH4 C2H6 C3H8 Total 0.91001 .

2188602839 -2.These columns were calculated with spreadsheet formulas.1070793697 . Ln(y1)+ ln phi1 v Ln(y2)+ ln phi2 v -0.

068 -277.Physical properties from the electrolattice equation of state for ions of equal diameters Reference: Work in progress Color convention: Cells such as this one are problem specifications.314 r 2.000005291 4.068 Frequency water 1 1 Na+ ion 0 0 Cl-ion 0 0 Charge 0 0 Sigma (meters) 1 1 Dielectric coeff 1 -19.29050 0 Dielectric coeff 2 29814.408785062 Vinf 5.671 0 Na+ (group) 0 0 Cl.5 0 Dielectric coeff 3 -0. Vapor pressure of: water vcell 5 sum q 1.(group) -277.019678 0 Dielectric coeff 4 0.(group) 0 0 u00 (Kelvin) D -535.290993373 4.864 alpha -535.393397011 R (J/(mol.671 beta group 700.864 -2625.671 700. Other numeric cells are results of calculations.712207 B (Kelvin) D-group 700.492302209 0.864 beta -535.393397011 Vinf (cm3/mol) 5.068 Cl.0000003 0 .864 -535.864 -535.742253 Fractional q 0.393397011E-06 Qa 0.068 -277.69 Na+ (group) -277.00013189 0 Dielectric coeff 5 -0.K)) 8.671 alpha group 700.14949 Water D-group alpha group Vinf (m3/mol) 0.671 700.290993373 4.857715 0.

2170164273 1.80E-01 371.01E+05 9.01E+05 1.01E+05 9.4470440862 1.00E+00 373.2004612477 1.01E+05 9.60E-01 These are specifications .70E-01 369.5611148467 1.01E+05 9.90E-01 372.3315654979 1. T(K) P (Pa) H2O 373.

864 -277.671 0 0 0 0 0 700.0000635 0. 0.0000635 0.536E-10 2.068 -468.7 12.36 10.536E-10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 x liquid .063059616E-06 0.068 -2625.063059616 1.063059616 5 5 12.864 -277.877 -468.69 -277.877 -277.877 1 0 0 0 1 0 0 0 1 0 1 -1 1 2.068 -277. lls are results of calculations.09891273 1.36 700.068 -535.7 beta group Na+ (group) Cl.068 -468.671 0 0 0 0 0 0 0 0 -535.068 -277.172331 10.068 -277.068 -277.877 -468.(group) 1.ate for ions of equal diameters s one are problem specifications.

10E-03 5.01E-02 1. H2O 1.51E-02 1. Na+ Cl.10E-03 #NAME? 1.01E-02 #NAME? .51E-02 #NAME? 2.01E-02 2.01E-02 #NAME? 1.00E-04 #NAME? 5.00E-04 1.

??????? ??????? red: for now just arbitrary values Yellow: always zero Green: always non-zero. any value ln fi y vapor .

00E+00 1.00E-20 1.00E+00 1.00E-20 1.00E-20 #NAME? .00E-20 1.00E+00 1. H2O #NAME? #NAME? 1.00E+00 1.Na+ Cl.00E-20 #NAME? #NAME? #NAME? 1. H2O Na+ Cl.00E-20 1.00E-20 #NAME? #NAME? #NAME? 1.00E+00 1.00E-20 #NAME? #NAME? #NAME? 1.00E-20 1.00E-20 #NAME? #NAME? #NAME? 1.

ln fi .

delta ln fugacity delta^2 #NAME? #NAME? 9.74E-06 9.96E-03 #NAME? #NAME? 1.29E-02 3.53E-03 7.21E-04 #NAME? #NAME? 6.13E-02 sum 1.49E-11 #NAME? #NAME? 8.28E-05 #NAME? #NAME? 3.03E-02 9.Na+ Cl.06E-01 1.62E-02 .

877 Cl.393397011E-06 1.290993373 4.09891273 Vinf 5.172331 10.019678 0 0 0 Dielectric coeff 4 0.00013189 0 0 0 Dielectric coeff 5 -0.K)) 8.068 Na+ (group) -277.0000003 0 0 0 x .408785062 0.7 Water D-group alpha group beta group Na+ (group) Vinf (m3/mol) 0.Physical properties from the electrolattice equation of state for ions of unequal diameters Reference: Work in progress Color convention: Cells such as this one are problem specifications.69 -535.857715 0.063059616 5 R (J/(mol. Vapor pressure of: water vcell 5 sum q 1.877 Frequency water 1 1 1 0 Na+ ion 0 0 0 1 Cl-ion 0 0 0 0 Charge 0 0 0 1 Sigma (meters) 1 1 1 2.671 0 alpha group 700.36 B (Kelvin) D-group 700.314 r 2.393397011 1.0000635 Qa 0.068 -277.(group) -277.712207 0.671 0 700. Other numeric cells are results of calculations.(group) 0 0 0 0 u00 (Kelvin) D -535.492302209 0.671 700.068 -277.671 0 0 beta group 700.063059616 Vinf (cm3/mol) 5.864 -2625.06306E-06 0.69 -277.864 -535.671 700.864 -277.536E-10 Dielectric coeff 1 -19.393397011 1.068 -468.864 -535.742253 Fractional q 0.290993373 4.864 -277.068 -468.5 0 0 0 Dielectric coeff 3 -0.864 -2625.068 beta -535.14949 12.000005291 4.068 -277.671 700.671 0 Na+ (group) 0 0 0 0 Cl.864 -535.068 alpha -535.068 -277.29050 0 0 0 Dielectric coeff 2 29814.

01E-02 2.01E+05 9. T(K) P (Pa) H2O Na+ Cl- 373.70E-01 1.3315654979 1.2170164273 1.60E-01 2.51E-02 369.01E+05 9.01E+05 9.10E-03 5.90E-01 5.5611148467 1.00E-04 373.4470440862 1.01E+05 9.00E-04 1.00E+00 1.01E-02 371.2004612477 1.01E+05 1.80E-01 1.10E-03 372.01E-02 .51E-02 1.01E-02 1.

068 -277.877 0 0 1 -1 2.0000635 ??????? 10.36 0 0 0 red: for now just arbitrary values 0 0 -277.(group) 0.536E-10 0 Yellow: always zero 0 0 Green: always non-zero. 5 ??????? 12.877 -468.s of unequal diameters pecifications. any value 0 0 liquid ln fi y vapor ln fi .068 -468.068 -277.7 Cl.

00E-20 #NAME? #NAME? #NAME? #NAME? #NAME? 1.00E+00 1.00E-20 #NAME? #NAME? .00E-20 1.H2O Na+ Cl.00E-20 #NAME? #NAME? #NAME? #NAME? #NAME? 1.00E+00 1.00E-20 1.00E-20 1.00E-20 #NAME? #NAME? #NAME? #NAME? #NAME? 1. H2O Na+ Cl.00E+00 1.00E-20 #NAME? #NAME? #NAME? #NAME? #NAME? 1.00E+00 1.00E+00 1.00E-20 1. H2O Na+ #NAME? #NAME? #NAME? 1.00E-20 1.

62E-02 .53E-03 7.29E-02 3.13E-02 sum 1.Cl.74E-06 9.06E-01 1.28E-05 #NAME? 3.03E-02 9.21E-04 #NAME? 6.96E-03 #NAME? 1.49E-11 #NAME? 8.delta ln fugacitydelta^2 #NAME? 9.

Oil & Gas Science and Technology – kij 0 0 0 0 0 0 0 0 0 T (K) 400 P(bar) 5 Mole fractions ln phi CO2 n-hexane oil fraction CO2 n-hexane oil fraction CO2 Liquid 0.73897988 delta ^ 2 0.15 0.85 1.05 0.6 0.05 0.2236 0.52470282 Souahi.69 Vapor 0.14 CO2 n-hexane oil fraction Tc(K) 304.64 0.2 0.121481 Critical properties and acentric factor of the oil fraction computed Pc(bar) 73. and an oil fraction characterized by its norm oil fraction Tb (K) SG 500 0.1123919 omega 0. F.54609127 Isothermal flash calculation for a mixture of carbon dioxide. Bubble point of a mixture of carbon dioxide.83 30.5 683. and H.1 20.55 0.4 0. and an oil fraction character Mole numbers CO2 n-hexane oil fraction Total Total 0.79 0.8045745 Specifed values of normal boiling point and specific gravity R (bar. n-hexane.9 2.8 0. n-hexane.299 0.05 #NAME? #NAME? #NAME? #NAME? delta -0.Physical properties and phase equilibrium of petroleum fractions and lumps Color convention: Cells such as this one are problem specifications. Other numeric cells are results of calculations. Kaabeche.49 Liquid 0.K)) 83.8 T (K) 350 .cm3/(mol.7 0.21 507.25 #NAME? #NAME? #NAME? #NAME? Vapor 0.

1875 0.50295858 #NAME? #NAME? #NAME? #NAME? Vapor 0.75 0.3786982 0.P(bar) 5 Mole fractions ln phi CO2 n-hexane oil fraction CO2 n-hexane oil fraction CO2 Liquid 0.1183432 0.0625 #NAME? #NAME? #NAME? #NAME? .

il fraction characterized by its normal boiling point and specific gravity . 2.6308062945 Difference between ln fugacity in the liquid and vapor phases 0. IFP. do the following: a) add constraints to force that all unknowns (blue cells) are than a small number: 1e-08. Vol.9211417591 The values above raised to power 2 so that all are not negative. 229-237. choose "Automatic scaling". for example. No.6999419565 Use solver to minimize this cell by changing the blue cells To avoid numerical problems. in Solver. ln fugacity n-hexane oil fraction #NAME? #NAME? #NAME? #NAME? -0. b) in the Solver options. pp.23270893 6.4823991 2. 63 (2008). sum delta^2 7. cterized by its normal boiling point and specific gravity he oil fraction computed with the correlations published by: Science and Technology – Rev.

do the following: a) add constraints to force that all unknowns (blue cells) are than a small number: 1e-08. choose "Automatic scaling".3822826228 Use solver to minimize this cell by changing the blue cells To avoid numerical problems. in Solver.ln fugacity n-hexane oil fraction delta G/(RT) #NAME? #NAME? -5.6827580846 Total (liquid+vapor) -4. for example. .0650407074 #NAME? #NAME? 0. b) in the Solver options.

.nging the blue cells r. do the following: nowns (blue cells) are matic scaling".

895 0.07 Binary interactions (cal/mol) 0.01 0.005 0.855 0.9 0.145 0.155 0.065 0.987 353.13 0.845 0.015 0.07 0.87 0.975 0.12 0.08 0.955 0.09 0.5922335187 47.K)) T(K) 1.15 0.1 0.20 3816.89 0.935 0.04 0.6780 16.00 0.96 0.92 0.02 0.915 0.035 0.99 0.055 0.135 0.97 0.925 0.105 0.11 0.14 0.54 46.15 2-propanol water V (cm3/mol) 76.84 .965 0.885 0.91 0.125 0.085 0.045 0.095 0.025 0.2887 Antoine B 3640.85 0.98 0.93 0.06 0.03 0.IN PREPARATION Azeotrope in the 2-propanol (1) + water (2) mixture R (cal/(mol.05 0.00 Antoine A 16.945 0.44 Antoine C 53.98 1238.13 Psat (kPa) 92.3756867345 x1 x2 0 1 0.86 0.92 18.995 0.00 437.075 0.905 0.94 0.875 0.115 0.16 0.865 0.88 0.985 0.95 0.

18 0.695 0.385 0.265 0.655 0.165 0.725 0.405 0.625 0.3 0.63 0.395 0.745 0.74 0.65 0.33 0.425 0.585 0.72 0.75 0.24 0.23 0.42 0.615 0.28 0.215 0.59 0.285 0.79 0.61 0.4 0.705 0.205 0.375 0.595 0.37 0.31 0.7 0.345 0.295 0.665 0.785 0.66 0.815 0.415 0.41 0.25 0.685 0.76 0.305 0.735 0.2 0.22 0.6 0.26 0.34 0.67 0.325 0.17 0.62 0.715 0.805 0.225 0.795 0.835 0.36 0.19 0.575 .21 0.35 0.69 0.605 0.32 0.78 0.185 0.255 0.645 0.71 0.365 0.73 0.195 0.77 0.82 0.38 0.68 0.755 0.275 0.8 0.235 0.29 0.81 0.83 0.39 0.315 0.0.175 0.245 0.355 0.765 0.635 0.64 0.58 0.825 0.335 0.675 0.27 0.775 0.

38 0.565 0.685 0.615 0.495 0.51 0.41 0.44 0.5 0.465 0.56 0.57 0.68 0.47 0.34 0.53 0.66 0.62 0.55 0.56 0.37 0.425 0.32 0.49 0.36 0.645 0.48 0.355 0.335 0.505 0.48 0.35 0.515 0.53 0.385 0.65 0.52 0.325 0.49 0.445 0.605 0.545 0.525 0.475 0.585 0.505 0.395 0.69 0.545 0.625 0.63 0.55 0.495 0.455 0.39 0.6 0.52 0.665 0. 0.405 0.47 0.435 0.435 0.43 0.485 0.5 0.54 0.535 0.315 0.555 0.51 0.61 0.67 0.365 0.465 0.595 0.46 0.475 0.31 .635 0.57 0.43 0.54 0.375 0.555 0.4 0.565 0.45 0.59 0.485 0.46 0.445 0.455 0.58 0.535 0.675 0.515 0.655 0.44 0.575 0.345 0.42 0.525 0.415 0.64 0.33 0.45 0.

05 0.9 0.07 0.08 0.835 0.25 0.94 0.895 0.09 0.71 0.88 0.055 0.905 0.115 0.82 0.925 0.775 0.915 0.0.945 0.165 0.19 0.075 0.735 0.79 0.705 0.765 0.265 0.935 0.74 0.15 0.28 0.285 0.855 0.11 0.815 0.23 0.84 0.13 0.875 0.825 0.14 0.255 0.85 0.275 0.145 0.75 0.125 0.845 0.795 0.295 0.72 0.26 0.06 0.78 0.215 0.27 0.155 0.045 .095 0.205 0.195 0.91 0.175 0.89 0.76 0.8 0.1 0.065 0.17 0.885 0.22 0.18 0.745 0.245 0.93 0.865 0.105 0.7 0.955 0.785 0.16 0.085 0.12 0.225 0.21 0.185 0.83 0.755 0.77 0.715 0.725 0.87 0.695 0.3 0.92 0.24 0.81 0.235 0.805 0.73 0.86 0.29 0.305 0.95 0.2 0.135 0.

I. Data.04 0. Chem.99 0.02 0. Mohammed Al Shekaili assisted in the preparation of this example.995 0. A rigorous formula for solid solubilities in fluids is: However.A.01 0.005 1 0 Solubility of palmitic acid in ethanol Original reference Calvo.985 0.965 0.314 . and E. Mr. Mohammed Faraj Al Falahi and Mr. 64-68. Palmitic acid delta hf (J/mol) 53711 Tf (K) 335.K)) 8. 2009. 54 (1).96 0. Activity coefficient calculations using the NRTL model.98 0.03 0. Collado.97 0.025 0. 0.975 0. Cepeda Solubilities of Palmitic Acid in Pure Solvents and Its Mixtures J.8 R (J/(mol. Eng. This is the formula used here. it is common to use the following simplified formula: where the subscript "f" indicates fusion properties.015 0. Beatriz.035 0.

Palmitic acid (1) ethanol (2) 0 0.2834487025 #NAME? 306.25 0.45 0.5260898776 #NAME? 304.05 0.9434 306.0566 0.05 0.45 0.05 0.7095627611 #NAME? 312.7947 317.6588288161 #NAME? 317.7623952595 #NAME? 321.06 0 Experimental Experimental Experimental Calculated Calculated T (K) x1 x2 T (K) ln (gamma1) 292.7779 317.0119 0.4 Binary interactions (J/mol) 6427.95 0.668393711 #NAME? 321.9571 304.6885 320.2012377257 #NAME? 319.6605302771 #NAME? 315.1865817118 #NAME? 301.5560418561 #NAME? 0.086 0.2 Experimental 0.395 0.02 0.25 0.0328 0.3241 0.9672 301.65 0.3115 0.55 0.1096 0.25 0.55 0.05 0 285 290 295 300 305 310 315 320 325 330 Temperature (K) VLE of acetone (1) + 2.85 0.3 0.3768 0.95 0.65 0.8904 312.3924945347 #NAME? 297.2221 0.4 Liquid mole fracton of palmitc acid 0.7487 318.605 322.1 0.2053 0.1649 0.05 0.914 310.0429 0.9833923114 #NAME? 310.9881 290.3 0 0 -2111.3-butadione (2) Original reference .6759 320.25 0.15 Calculated 0.0895205549 #NAME? 317.3700220217 #NAME? 322.98 296.35 0.7089554112 #NAME? 323.8351 315.6232 322.3 alfa 0.2513 0.

246 81.314 alfa 0 0.817 3921. Chem. Eng.. and J.65 22. Ramjugernath.795 0 T(K) x1 x2 P1sat (kPa) P2sat (kPa) 323. D.D.15 0.77 .3 0 Binary interactions (cal/mol) 0 -2724.K)) 8. 2083-2087 R (J/(mol. Raal J. 51. M.3 0.754 0.Vapor-Liquid Equilibrium for Binary Systems of Diacetyl with Methanol and Acetone Soni. Data 2006.

0001736979 51.37569 0 #NAME? #NAME? 9.08708 #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .4169443925 1 47.713909731 1.lngamma1 lngamma2 gamma1 gamma2 P (kPa) y1 #NAME? #NAME? 10.64416 0.

#NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .

#NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .

#NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .

#NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? ation of this example. .

606314823467E-06 7. Calculated Simplified solubility (Simplified solubility ln (gamma1) equation equation)^2 #NAME? 8.0213E-10 Sum of squares 5.000010106 1.000020011 4.12688882651E-05 9.4069E-11 #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? 3.7774E-10 #NAME? 0. Experimental Calculated 0 .0044E-10 #NAME? -0.145945895344E-06 9.8970E-12 #NAME? 3.2593E-09 Use Solver to minimize this cell by changing the blue cells In this way. the temperatures of all data points are found in a single operation.

9924545367 0.ln(gama1) ln(gama2) gama1 gama2 P (kPa) y1 #NAME? #NAME? 0.917247 .61191 0.9840969576 66.

91292 #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? . y2 1 0.

#NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .

9 1 #NAME? x1.3 0.2 0.6 0.5 0.y1 #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .7 0.1 0.8 0.4 0.#NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? 54 #NAME? #NAME? 52 #NAME? #NAME? #NAME? 50 #NAME? #NAME? 48 #NAME? P (kPa) #NAME? #NAME? 46 #NAME? #NAME? 44 #NAME? #NAME? 42 #NAME? #NAME? #NAME? 40 #NAME? 0 0.

#NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .

#NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? #NAME? .

y2 0.082753 .

8 0.0.7 0.9 1 .