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Instructions

PREOS.XLS
This workbook will calculate P,V,T and thermodynamic properties using the Peng-Robinson Equation.
PVT

This worksheet solves the Peng-Robinson Equation given critical constants, acentric factor,
and a pressure and temperature.

Props

This worksheet calculates departure functions and fugacities. You will need
to enter critical constants and heat capacity constants on this worksheet.
Critical properties will be transferred automatically to the "Ref State" worksheet.
Heat capacity constants are from the appendix or from Reid, Prausnitz and Poling.

Ref State

This worksheet specifies the reference state for the "Props" calculations. Both ideal and
real fluid reference states may be chosen, and the user may specify whether to set H = 0 or
U = 0 in the reference state. The entropy is arbitrarily set to zero at the reference state.

Crit. Props

A copy of the critical properties tabulated in the endflap of the book.

IG Cps

A copy of the ideal gas heat capacity constants tabulated in the appendix of the book.

Worksheets are protected. Values in blue may be changed without unlocking the spreadsheet, which will
permit most common calculations. The worksheets may easily be changed to use a different equation of state.
Copyright 1996-97, Carl Lira
For use with "An Introduction to Applied Thermodynamics" by J.R. Elliott, C.T. Lira
www.egr.msu.edu/~lira/thermtxt.htm

Page 1

314 a (MPa cm6/gmol2) Tr 1.99882 0.604 0.997059 22630. subject to $B$7 <= $B$4 Page 2 .For region with three real roots 3*q1 q1 m 3q/pm 0.391572 b (cm /gmol) a 0. see cell A28 for instructions #NUM! #NUM! #NUM! #NUM! #NUM! #NUM! #NUM! #NUM! 0.PVT Peng-Robinson Equation of State (Pure Fluid) Properties Tc (K) Pc (MPa) w Gas METHANE 190. but no password used.For region with one real root P Q Root to equation in x 0.46 0.6 4.664116 1.000037 #NUM! #NUM! 212431 Solution methods are summarized in the appendix of the text.5E-06 -0. by adjusting $B$7. one real root Method 1 . or saturation temperature. To find saturation temperature. Intermediate Calculations R(cm3MPa/molK) 8. -0.87E-08 a2 a1 a0 p q If Negative. Roots to equation in x #NUM! #NUM! #NUM! To find vapor pressure. use solver to vary $B$8 (P) to find where target cell $H$12 = 1. three unequal real roots.1 answers for three root region & for 1 root region Z V cm3/gmol fugacity Pr MPa 0.099706 Stable Root has a lower fugacity R = q2/4 + p3/27 = Z3 + a2Z2 + a1Z + a0 =0 Solution to Cubic 9.07323 If Positive.77659 fugacity ratio A 0.00176 -3.33111 0.33079 -0.333009 0.00118 To find vapor pressure.011 Current State Spreadsheet protected.432319 Roots T (K) 273 P (MPa) 0. for any T < Tc.004124 #NUM! B 0.851819 26.664119 Method 2 .02172 3 k 0. use solver to vary $B$7 (T) to find where target cell $H$12 = 1.

9326919 Method 2 .091544 B 0.754605 40.391572 b (cm /gmol) 0. one real root Method 1 .46370626 -0.33 S-Sig J/molK #NUM! #NUM! #NUM! -7.77659 A 1.53990531 -0.7216 .5 Root to equation in x k a 0.HR A 19.0109 q If Negative.741237 26.604 w 0.5608722 R = q2/4 + p3/27 = Q J/mol 1492. P Uig .6 Current State Pc (MPa) 4.46 fugratio #NUM! If thermodynamic property calculations give a #NUM! error for both root regions in the table above.86477139 1. fix the "reference state index indentifier" on "Ref State" page.1126603 64.460095 #NUM! Reference State Info from 'Ref State' (enter data on Worksheet 'Ref State') T= 298 igrflag= 1 P= 0. three unequal real roots.28824 If Positive.29 H-Hig J/mol #NUM! #NUM! #NUM! -3144. -0.73 -4439.1 uhflag= 1 index= 3 Page 3 Sig -SRig J/molK -45.13E-08 Z 3 Z3 + a2Z2 + a1Z + a0 =0 Solution to Cubic a2 a1 a0 p -0.For region with one real root 0.86012 184853.For region with three real roots 3*q1 q1 m 3q/pm 0. ig ig Heat Capacity constants from Appendix ideal gas H .20E-05 -1.314 a (MPa cm6/gmol2) Tr 1.25 B 5.URig Roots to equation in x #NUM! #NUM! 3 0.014236 Intermediate Calculations R(cm3MPa/molK) 8.193131 -0.836306 Pr 10.33173 0.011 Roots T (K) 350 P (MPa) 50 answers for three root region Spreadsheet protected.78283729 #NUM! #NUM! S J/molK #NUM! #NUM! #NUM! -53. but no password used.5 U-Uig J/mol #NUM! #NUM! #NUM! -3472.98708 -1201.618 Stable Root has a lower fugacity V fugacity H U cm /gmol MPa J/mol J/mol #NUM! #NUM! #NUM! #NUM! #NUM! #NUM! #NUM! #NUM! #NUM! #NUM! #NUM! #NUM! #NUM! #NUM! & for 1 root region 1.64104896 J/mol 1924.21E-02 C D values 1.Props Peng-Robinson Equation of State (Pure Fluid) Properties Gas Methane Tc (K) 190.29164292 0.

391572 b (cm /gmol) 0.1 identifier index MPa J/mol 0 for HR = 0.1508 Identifier Index for reference state row to use from Row 9 .1508 -12. Enter Name and Critical Properities on "Props" Worksheet. 2.33147 -0. 1 for UR = 0 1 #NUM! #NUM! #NUM! #NUM! 0 #NUM! #NUM! 0 for ig. NOT ONE WITH #NUM! 3 Reference State Values Ref State Departures U-Uig J/mol #NUM! S-Sig J/molK #NUM! #NUM! -12.77659 A 0.6482 -0.3315697 0.Row 12 (Enter 1.07 0 -18.4E-06 -0.69 0.314 6 2 Tr 1.011 Reference State For real fluid Spreadsheet protected.813519 26. or 3) YOU MUST CHOOSE A ROW WITH CALCULABLE NUMBERS.00114009 -2.997779 0 -2472.07346 If Positive.001081 #NUM! Page 4 answers for three root region & for 1 root region .6 4.04243 Z H(J/mol) U(J/mol) S(J/molK) 0.664806 Method 2 .Ref State Peng-Robinson Equation of State (Pure Fluid) Properties Tc (K) Pc (MPa) w Gas Methane 190.99891924 0.5 3 0.6482 #NUM! -0.63E-08 a2 a1 a0 p q If Negative. three unequal real roots.00002828 #NUM! #NUM! Roots to equation in x #NUM! #NUM! 0.04243 R = q2/4 + p3/27 = Z3 + a2Z2 + a1Z + a0 =0 Solution to Cubic 7.563484 a (MPa cm /gmol ) P Pr 0.02172 202879. -0.099778 -18.66480386 1. one real root Method 1 . but no password used. Roots H-Hig T (K) 298 reference state Z V fugacity 3 cm /gmol P (MPa) 0. 1 for real fluid ref 2 #NUM! #NUM! #NUM! #NUM! 1 3 0.997779 24720.003305 B 0.For region with three real roots 3*q1 q1 m 3q/pm 0.604 0.33323625 Q Root to equation in x k a 0.For region with one real root Intermediate Calculations R(cm3MPa/molK) 8.

.824 1.275 0.177 0.4 369.249 0.27 0.284 0.575 0.209 3.264 5.193 0.851 11.7 460.486 2.688 10.273 0.5 658.4 433.954 22.217 44.194 0.262 0.142 0.348 15.6 305.529 6.326 0.1 616.269 0.22 4.734 3.437 0.269 0.539 12.648 3.264 0.738 16.511 3.26 7.847 2.484 0.8 308.269 9.23 0.785 4.3-BUTADIENE 309 ISOPRENE Aromatics 501 BENZENE 502 TOLUENE 504 ETHYLBENZENE 505 o-XYLENE 506 m-XYLENE 507 p-XYLENE 510 CUMENE 558 BIPHENYL 563 DIPHENYLMETHANE 701 NAPHTHALENE 190.898 4.199 3.4 484 5.2 630.27 0.187 0.255 0.366 0.249 0.8 595.485 15.451 28.273 0.27 0. copy the desired cells.2 408.298 6.277 0.8 507.381 3.57 0.051 0.075 3.302 0.502 3.152 0.3 425.235 0.8 553.5 572.419 0.123 1.228 0.736 2.212 19.541 3.8 425.471 0.Crit.193 0.271 0.274 0.. then use Paste Special.461 0.88 4.396 0.4 540.011 0. Compound Tc(K) Pc(MPa) w Zc CP/R Paraffins 1 METHANE 2 ETHANE 3 PROPANE 4 n-BUTANE 5 ISOBUTANE 7 n-PENTANE 8 ISOPENTANE 9 NEOPENTANE 11 n-HEXANE 17 n-HEPTANE 27 n-OCTANE 46 n-NONANE 56 n-DECANE 64 n-DODECANE 66 n-TETRADECANE 68 n-HEXADECANE Naphthenes 104 CYCLOPENTANE 105 METHYLCYCLOPENTANE 137 CYCLOHEXANE 138 METHYLCYCLOHEXANE Olefins and Acetylene 201 ETHYLENE 202 PROPYLENE 204 1-BUTENE 207 ISOBUTENE 209 1-PENTENE 401 ACETYLENE 303 1.2 789.2 591.25 0.203 0..9 720.263 0.306 2.189 0.215 0.099 0. in order to preserve the formats of the cells.3 568.263 18.313 0.822 12.259 0.25 5. See appendices for temperature dependent formulas and constants.2 696.033 .263 0.9 464.246 19.264 0.8 532.8 419.263 0.609 3.444 16.032 4.33 3.294 0.196 0.4 364.085 0.747 0.695 14.7 618.85 0.282 0. Props Critical properties from the endflap.264 0.56 16..275 0.6 4.281 0.269 9. Values.6 417.012 2.158 0.249 3.92 4.1 469.521 Page 5 17.238 0.02 3.446 511.109 3..326 0.4 617.26 0.233 0.438 1.276 0.305 0.32 9.338 0.999 3.139 4.697 25.8 617.033 15. Hint: To transfer values to the other worksheets.89 11.272 0.4 4.211 0.349 0.271 0.288 0.604 4.3 631. PROPERTIES OF SELECTED COMPOUNDS Heat capacities are values for vapor at 298 K and should be used for order of magnitude calculations only.306 10.613 4.2 4.312 8.974 282.724 562.369 3.187 0.3 768 748.259 0.797 3.304 0.

499 7.701 4.28 0.2 3.2 209.937 7.252 0.184 0.096 6.59 7.496 10.256 0.65 3.412 4.4 4.4 536.292 0.7 469 535.256 0.8 471.37 6.32 0.292 0.529 3.6 516.631 5.4 4.043 1.5 552 653 324.382 -0.3 4.197 508.1 132.2 487.879 10.19 3.217 0.505 4.286 0.796 6.7 180.286 0.215 0.26 0.119 0.9 584.502 2.833 5.585 0.353 0.207 5.8 8.2 417.1 0.194 0.176 0.84 6.4 289.2 0.022 -0.3 562.501 3.25 0.274 373.1 4.228 5.2 5.249 0.6 430.111 3.711 0.04 0.5 8.12 0.249 0.269 0.5 3.066 0.265 150.328 0.248 0.485 7.041 .27 22.258 0.295 5.9 304.07 4.97 4.272 0.669 0.329 0.35 3.001 -0.456 4.257 0.637 0.3 536.344 0.069 0 0.12 0.7 406.041 0.293 0.898 10.7 501.557 Gases 914 ARGON 922 BROMINE 918 CHLORINE 913 HELIUM-4 920 KRYPTON 919 NEON 959 XENON 912 NITRIC OXIDE 899 NITROUS OXIDE 910 SULFUR DIOXIDE 911 SULFUR TRIOXIDE 901 OXYGEN 902 HYDROGEN 905 NITROGEN 908 CARBON MONOXIDE 909 CARBON DIOXIDE Nasty gases 1922 HYDROGEN SULFIDE ### CARBON DISULFIDE ### HYDRAZINE(N2H4) ### HYDROGEN CHLORIDE ### HYDROGEN CYANIDE Miscellaneous Compounds 1051 ACETONE 1772 ACETONITRILE 1251 ACETIC ACID 1911 AMMONIA 1921 WATER Page 6 2.407 0.283 7.224 0.422 0.242 0.252 0.531 12.2 309.279 0.9 154.507 3.47 8.2 4.142 0.3 0.8 14.245 0.012 0.081 0.3 0.259 0.283 0.4 556.233 18.259 0.2 416.Crit.69 13.109 5. Props 702 706 Oxygenated 1101 1102 1103 1104 1105 1107 1479 ### # ### Halocarbons 1-METHYLNAPHTHALENE TETRALIN Hydrocarbons METHANOL ETHANOL PROPANOL ISOPROPANOL 1-BUTANOL ISOBUTANOL THF DIETHYL ETHER ETHYLENE OXIDE METHYL ETHYL KETONE 772 720.6 33.188 0.8 490.394 3.335 7.7 508.633 4.1 466.2 5.293 0.274 0.2 0.233 0.6 647.499 2.297 0.243 512.302 0.6 456.115 0.289 4.011 4.3 0.253 0.291 0.5 592.268 0.2 545.59 5.3 126.221 0.287 0.653 5.288 0.786 11.96 15.589 0.262 0.6 8.4 44.628 0.288 0.46 0.9 547.566 0.275 0.306 0.245 7.156 0.004 0.249 FREON-12(CCl2F2) FREON-22(CClF2) FREON-11(CCl3F) FREON-113(C2Cl3F3) METHYL CHLORIDE CHLOROFORM(CHCl3) CARBON TETRACHLORIDE CHLOROBENZENE 385 369.588 4.594 0.248 0.216 0.462 0.295 0.5 4.764 4.4 632.228 0.384 5.268 0.17 4.281 0.297 3.884 8.

Crit.. Props References: API Technical Data Book (extant 1988).J.M. The Pro Page 7 . and Sherwood.. Prausnitz.K. and Reid. T.C.R..

.... Page 8 .. Props e Special.Crit. Values.

Crit. Props Page 9 .

Crit. T.Mcgraw-Hill.. New York (1977) Page 10 . Props and Sherwood. 3rd Edition.K. The Properties of Liquids and Gases .

31E-04 -3.84E-01 -3.11E-01 7.11E-04 -1. Prausnitz.096 5.529 -4.30E+01 8.29E-04 -6.374 -7. B. McGraw-Hill.20E-04 -8.328 -1.07E-01 5..58E-04 -2.25 5. in order to preserve the formats of the cells.M.33E-01 -2.34E-04 7.80E-01 -1.52E-04 -4.10E+01 -1. copy the desired cells.34E-01 2.59E-01 -3.16E-04 3.43E-01 6.44E-04 3. 4th ed.35E-04 -7.IG Cps Heat Capacity constants from the Appendix Ideal gas heat capacity constants are tabulated below as selected from The Properties of Gases and Liquids.412 2.806 3.687 -3.53E-01 -1.28E-01 6.38E-01 6..32E-04 -1.82E-04 -5.42E-01 -2.31E-01 3.39 -3. J.01E+01 -5.61E-01 1.68E+01 3.19E+01 5. p 656-732.73E-01 9. The heat capacities tabulated in the endflap are only suitable for quick order of magnitude calculations.3-BUTADIENE (Isoprene) 401 ACETYLENE Page 11 19. The polynomial should not be truncated..20E-05 -6.85E-01 4.85E-04 -2.3-BUTADIENE 309 2-METHYL-1.21E-02 1.87E-01 5.54E-04 -5. R.78E-01 3.409 -4.224 9.57E-01 -8.42E-04 -8.73E-04 -3. then use Paste Special.45E+01 -6.12E-04 -3.338 1.09E-04 4.59 -4.. Caution: Note that the value of the heat capacity at room temperature is not given by the first coefficient A.2-Dimethylpropane) 11 n-HEXANE 17 n-HEPTANE 27 n-OCTANE 41 ISOOCTANE 46 n-NONANE 56 n-DECANE 64 n-DODECANE 66 n-TETRADECANE 68 n-HEXADECANE Naphthenes 104 CYCLOPENTANE 105 METHYLCYCLOPENTANE 137 CYCLOHEXANE 138 METHYLCYCLOHEXANE 153 cis-DECALIN 154 trans-DECALIN Olefins and Acetylene 201 ETHYLENE 202 PROPYLENE 204 1-BUTENE 205 cis-2-BUTENE 206 trans-2-BUTENE 207 ISOBUTENE (Isobutylene) 209 1-PENTENE 216 1-HEXENE 260 1-DECENE 270 CYCLOHEXENE 303 1. 1987.55E-01 5.C.94E-05 -1.525 -16.146 -6.99E-04 1.06E-01 3.487 -1.64E-04 -2.913 -9.34E-04 4.35E-05 2.65E-04 -4. Compound A B C Paraffins 1 METHANE 2 ETHANE 3 PROPANE 4 n-BUTANE 5 ISOBUTANE 7 n-PENTANE 8 ISOPENTANE 9 NEOPENTANE (2.59E-04 -1.149 1.58E-02 -5. Poling. The full form of the heat capacity should be used when possible. Hint: To transfer values to the other worksheets.626 -9.E.71E-01 1.01E-05 .36E+01 -5.71 -2.35E-01 -1. Reid.994 1. Values.61E+01 -1.76E-01 7..413 -5.03E-04 -3.

75E-04 5.18E-01 4.63E-01 -4.86E-04 8.09E-04 -8.16E+01 FREON-22(CClF2) 1.07E-01 5.39E+01 1503 ETHYL CHLORIDE 1511 DICHLOROMETHANE 1521 CHLOROFORM(CHCl3) 2.708 1114 1-HEXANOL 1181 PHENOL 1201 ETHYLENE GLYCOL 1211 PROPYLENE GLYCOL 1251 ACETIC ACID 4.73E+01 FREON-11(CCl3F) 4.69E-01 -1.04E-01 7.92E+01 507 1.40E+01 CHLOROBENZENE -3.509 510 ISOPROPYLBENZENE (Cumene) -3.14E-01 3.39E-05 -1.15 1102 ETHANOL 9.39E-01 -6.51E-04 1.86E-04 6.22E-01 -1.10E+01 Page 12 4.13E-01 7.91E+01 1402 DIETHYL ETHER 2.39E+01 502 TOLUENE -2.3-DIMETHYL BENZENE -2.75E-04 -3.13E-04 3.02E-04 -2.24E-04 -2.01E-01 -3.519 Halocarbons 1501 CARBON TETRACHLORIDE 4.26E-04 2.27E-04 1.90E-04 -1.89E-05 1.84E-04 5.94E-04 3.41E-05 -2.1-C2H2Cl2) 1601 FREON-12(CCl2F2) 3.59E-05 -8.96E-01 6.84 1256 BUTYRIC ACID 1281 BENZOIC ACID 1289 TEREPHTHALIC ACID 1312 METHYL ACETATE 1313 ETHYL ACETATE 1381 DIMETHYL TEREPHTHALATE 1479 TETRAHYDROFURAN(THF) 1.17E-04 1.50E-01 -6.67E-01 -1.266 1107 ISOBUTANOL -7.89E-01 -1.59E+01 506 1.47 1104 2-PROPANOL 3.55E-01 -1.39E+01 558 DIPHENYL -9.74E-01 5.4-TETRAHYDRONAPHTHALENE (Tetralin) 803 INDENE 805 PHENANTHRENE Oxygenated Hydrocarbons 1001 FORMALDEHYDE 1002 ACETALDEHYDE 1052 2-BUTANONE 1.07E+01 1502 METHYL CHLORIDE 1.84E-01 1.014 1103 PROPANOL 2.05E-01 -2.33E-01 1.39E+01 1591 VINYLIDENE CHLORIDE(1.09E-02 2.52E-04 1.4-DIMETHYL BENZENE -1.51E-04 9.56E-01 2.14E+01 1403 ISOPROPYL ETHER ETHYLENE OXIDE -7.89E-01 4.42E-04 .88E-04 2.31E+01 505 1.62E-01 -1.48E+01 706 1.16E-01 -4.71E+01 601 PHENYLETHENE 701 NAPHTHALENE -6.25E-04 2.09E+01 1051 ACETONE 6.61E-01 7.44E-04 -3.2.81E-04 -3.30E-01 6.36E-01 -1.24E+01 1105 1-BUTANOL 3.88E+01 702 1-METHYLNAPHTHALENE -6.106 -3.37E-04 -5.IG Cps Aromatics 501 BENZENE -3.2-DIMETHYL BENZENE -1.301 1101 METHANOL 21.77E-04 -4.3.78E-01 -1.04E-04 2.44E+01 504 ETHYLBENZENE -4.

36E-02 -1.38E-02 1.08E+01 2.12E+01 3.18E-04 9.08E+01 7.29E-02 7.19E+01 6.27E-03 -1.06E-02 -4.38E-05 2.20E-01 -4.92E+01 2.13E-02 -7.96E-05 Page 13 2.08E+01 2.38E-04 -5.20E-03 1.768 1.43E-05 2.71E+01 3.25E-05 3.08E+01 2.06E-05 .98E+01 2.19E-05 3.44E-03 2.11E+01 2.68E-05 2.75E-05 -1.07E+01 -7.69E+01 2.34E-02 6.92E-03 1.73E+01 2.79E-05 -5.96E-05 -1.38E-02 -3.78E-05 1.13E-02 -1.87E-01 -2.37E-01 -9.16E+01 2.94E+01 2.60E-05 -4.08E+01 3.90E-01 -1.70E-02 1.66E-04 2.28E-02 -3.39E+01 1.09E+01 1.49E-05 2.19E+01 1.24 1.42E-04 Gases 899 NITROUS OXIDE 901 OXYGEN 902 HYDROGEN (equilibrium) 905 NITROGEN 908 CARBON MONOXIDE 909 CARBON DIOXIDE 910 SULFUR DIOXIDE 911 SULFUR TRIOXIDE 912 NITRIC OXIDE 913 HELIUM-4 914 ARGON 917 FLUORINE 918 CHLORINE 919 NEON 920 KRYPTON 922 BROMINE 959 XENON Nitrogen and Sulfur Gases 1904 HYDROGEN CHLORIDE 1922 HYDROGEN SULFIDE 1938 CARBON DISULFIDE HYDRAZINE(N2H4) HYDROGEN CYANIDE Miscellaneous Compounds 1701 METHYLAMINE 1704 ETHYLAMINE 1772 ACETONITRILE 1801 METHANETHIOL 1802 ETHANETHIOL 1820 DIMETHYL SULFIDE 1877 UREA 1901 SULFURIC ACID 1902 PHOSPHORIC ACID 1903 NITRIC ACID 1911 AMMONIA 1912 SODIUM HYDROXIDE 1921 WATER 2.71E-05 32.05E+01 1.74E+01 8.67E-05 9.75E-06 3.IG Cps FREON-113(C2Cl3F3) 6.81E+01 2.87E-05 1.39E+01 2.68E-06 9.

37E-08 1.72E-08 7..03E-07 1.10E-09 4..00E-07 1.49E-08 8.13E-08 8.63E-08 6.90E-08 5.31E-08 5.41E-08 Page 14 . 4th heat capacities tabulated in form of the heat capacity e Paste Special.68E-08 6.71E-09 3.01E-08 1. en by the first D -1.13E-07 1.82E-09 2.36E-07 1.IG Cps operties of Gases and Liquids.21E-08 4.22E-08 -2.85E-07 6. Values.60E-07 1...49E-08 7.86E-08 1..66E-08 8.32E-08 9.34E-08 1.76E-08 2.46E-08 9.

53E-08 8.29E-07 2.37E-09 4.84E-08 2.98E-07 2.13E-08 4.23E-08 4.30E-07 7.92E-08 2.82E-08 1.95E-08 1.79E-07 1.26E-08 4.85E-08 1.IG Cps 7.06E-08 4.59E-08 8.91E-08 1.48E-08 6.36E-09 2.15E-08 Page 15 .66E-08 1.04E-08 -2.57E-09 6.45E-07 -9.34E-08 3.02E-07 3.69E-08 7.43E-07 4.30E-08 -9.

19E-09 1.19E-08 -3.03E-08 1.IG Cps 6.07E-08 7.17E-08 -1.90E-09 -1.90E-08 1.70E-08 -4.53E-09 -3.72E-08 1.67E-08 6.27E-08 1.33E-08 3.65E-09 -1.18E-08 2.20E-09 -1.55E-08 4.60E-09 Page 16 .82E-08 3.83E-08 -1.