Professional Documents
Culture Documents
Peng Robinson Equation of State
Peng Robinson Equation of State
Peng Robinson Equation of State
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
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
PVT
190.6
Current State
4.604
0.011
Roots
T (K)
273
fugacity
P (MPa)
0.1
cm /gmol
MPa
answers for three
#VALUE! #VALUE! #NAME?
root region
#VALUE! #VALUE!
#VALUE! #VALUE! #NAME?
& for 1 root region
0.997059 22630.46 #NAME?
Stable Root has a lower fugacity
3
Solution to Cubic
a2
a1
-0.99882
0.00176
Z3 + a2Z2 + a1Z + a0 =0
a0
p
-3E-006 -0.330787
Intermediate Calculations
R(cm3MPa/molK)
8.314
Tr
1.432319 a (MPa cm6/gmol2)
Pr
0.02172
212431
0.391572 b (cm3/gmol)
0.851819 26.77659
fugacity ratio
A
0.004124
#NAME? B
0.00118
To find vapor pressure, or saturation temperature,
see cell A28 for instructions
R = q2/4 + p3/27 =
9.9E-008
q
If Negative, three unequal real roots,
-0.07323 If Positive, one real root
m
3q/pm
Roots to equation in x
0.664116 1.000037 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!
To find vapor pressure, use solver to vary $B$8 (P)
to find where target cell $H$12 = 1, for any T < T c.
To find saturation temperature, use solver to vary $B$7 (T)
to find where target cell $H$12 = 1, by adjusting $B$7, subject to $B$7 <= $B$4
Page 2
Props
Tc (K)
Pc (MPa)
190.6
4.604
0.011
B
C
D
values
5.21E-02 1.20E-05 -1.13E-08
Current State
Roots
Stable Root has a lower fugacity
T (K)
350
Z
V
fugacity
H
U
P (MPa)
50
cm3/gmol
MPa
J/mol
J/mol
answers for three
#NAME?
#NAME? #NAME?
#NAME? #NAME?
root region
#NAME?
#NAME?
#NAME? #NAME?
#NAME?
#NAME? #NAME?
#NAME? #NAME?
& for 1 root region
#NAME?
#NAME? #NAME? #NAME? #NAME?
fugratio
#NAME?
If thermodynamic property calculations give a #NUM! error for both root regions in the
table above, fix the "reference state index indentifier" on "Ref State" page.
Solution to Cubic
a2
-0.53990531
Z3 + a2Z2 + a1Z + a0 =0
a1
#NAME?
a0
#NAME?
p
#NAME?
R = q2/4 + p3/27 =
Q
#NAME?
Root to equation in x
#NAME?
#NAME?
Pr
#NAME? #NAME?
0.391572 b (cm3/gmol)
#NAME? 26.77659
A
#NAME?
#NAME?
Intermediate Calculations
8.314
R(cm3MPa/molK)
Tr
#NAME? a (MPa cm6/gmol2)
3*1
3q/pm
Roots to equation in x
#NAME?
#NAME?
#NAME?
#NAME? #NAME? #NAME?
B
#NAME?
Reference State Info from 'Ref State' (enter data on Worksheet 'Ref State')
T=
298 igrflag=
1
P=
0.1 uhflag=
1
index=
3
Page 4
J/mol
#NAME?
S
H-Hig
U-Uig
S-Sig
J/molK
J/mol
J/mol
J/molK
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
#NAME? #NAME? #NAME? #NAME?
q
If Negative, three unequal real roots,
#NAME? If Positive, one real root
J/mol
#NAME?
Uig - URig
0.460095
Sig -SRig
J/molK
#NAME?
Ref State
190.6
Reference State
T (K)
298
P (MPa)
0.1
0 for HR = 0, 1 for UR = 0
4.604
0.011
Roots
Z
V
cm /gmol
3
H-Hig
J/mol
fugacity
MPa
U-Uig
J/mol
S-Sig
J/molK
1
#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!
0
#VALUE! #VALUE!
0 for ig, 1 for real fluid ref
2
#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!
1
3
0.997779 24720.69 0.099778 -18.15084 -12.64823 -0.04243
Identifier Index for reference state row to use from Row 9 - Row 12 (Enter 1, 2, or 3)
YOU MUST CHOOSE A ROW WITH CALCULABLE NUMBERS, NOT ONE WITH #NUM!
3
Z
H(J/mol) U(J/mol) S(J/molK)
0.997779
0 -2472.069
0
-18.15084 -12.64823 -0.04243
Z3 + a2Z2 + a1Z + a0 =0
a1
-0.99891924 0.001140085
R = q2/4 + p3/27 =
7.63E-008
a0
p
q
If Negative, three unequal real roots,
-2E-006 -0.331473 -0.073457 If Positive, one real root
Intermediate Calculations
R(cm3MPa/molK)
8.314
Tr
1.563484 a (MPa cm6/gmol2)
Pr
0.02172 202879.5
0.391572 b (cm3/gmol)
0.813519 26.77659
A
0.003305
m
3q/pm
Roots to equation in x
0.664803862 1.000028279 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!
Page 5
0.001081
Crit. Props
Tc(K)
Pc(MPa)
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 METHYLCYCLOPENTAN
137 CYCLOHEXANE
138 METHYLCYCLOHEXANE
Olefins and Acetylene
201 ETHYLENE
202 PROPYLENE
204 1-BUTENE
207 ISOBUTENE
209 1-PENTENE
401 ACETYLENE
303 1,3-BUTADIENE
309 ISOPRENE
Aromatics
501 BENZENE
502 TOLUENE
190.6
305.4
369.8
425.2
408.1
469.7
460.4
433.8
507.4
540.3
568.8
595.7
618.5
658.2
696.9
720.6
4.604
4.88
4.249
3.797
3.648
3.369
3.381
3.199
3.012
2.736
2.486
2.306
2.123
1.824
1.438
1.419
0.011
0.099
0.152
0.193
0.177
0.249
0.228
0.196
0.305
0.349
0.396
0.437
0.484
0.575
0.57
0.747
0.288
0.284
0.281
0.274
0.282
0.269
0.27
0.269
0.264
0.263
0.259
0.255
0.249
0.238
0.203
0.22
4.298
6.312
8.851
11.89
11.695
14.446
511.8
532.8
553.5
572.2
4.502
3.785
4.075
3.471
0.194
0.23
0.215
0.235
0.273
0.272
0.273
0.269
9.974
282.4
364.8
419.6
417.9
464.8
308.3
425.4
484
5.032
4.613
4.02
3.999
3.529
6.139
4.33
3.85
0.085
0.142
0.187
0.189
0.233
0.187
0.193
0.158
0.277
0.275
0.276
0.275
0.27
0.271
0.27
0.264
5.26
7.688
10.306
10.724
562.2
591.8
4.898
4.109
0.211
0.264
0.271
0.264
9.822
12.485
Page 6
17.212
19.954
22.697
25.451
28.217
44.539
12.738
16.25
5.32
9.56
Crit. Props
504
505
506
507
510
558
563
701
702
706
Oxygenated
1101
1102
1103
1104
1105
1107
1479
###
#
###
Halocarbons
ETHYLBENZENE
o-XYLENE
m-XYLENE
p-XYLENE
CUMENE
BIPHENYL
DIPHENYLMETHANE
NAPHTHALENE
1-METHYLNAPHTHALEN
TETRALIN
Hydrocarbons
METHANOL
ETHANOL
PROPANOL
ISOPROPANOL
1-BUTANOL
ISOBUTANOL
THF
DIETHYL ETHER
ETHYLENE OXIDE
METHYL ETHYL KETON
617.2
630.4
617.1
616.3
631.2
789.3
768
748.4
772
720.2
3.609
3.734
3.541
3.511
3.209
3.847
2.92
4.051
3.65
3.3
0.304
0.313
0.326
0.326
0.338
0.366
0.461
0.302
0.292
0.286
0.263
0.263
0.259
0.26
0.262
0.294
0.25
0.269
0.297
0.243
15.444
16.033
15.348
15.263
18.246
19.521
512.6
516.4
536.7
508.3
562.9
547.7
501.1
466.7
469
535.6
8.096
6.384
5.17
4.764
4.412
4.295
5.19
3.59
7.1
4.1
0.566
0.637
0.628
0.669
0.594
0.589
0.217
0.281
0.2
0.329
0.224
0.248
0.253
0.248
0.259
0.257
0.259
0.262
0.258
0.249
5.283
7.879
10.496
10.69
FREON-12(CCl2F2)
FREON-22(CClF2)
FREON-11(CCl3F)
FREON-113(C2Cl3F3)
METHYL CHLORIDE
CHLOROFORM(CHCl3)
CARBON TETRACHLORI
CHLOROBENZENE
385
369.8
471.2
487.2
416.3
536.4
556.4
632.4
4.07
4.97
4.35
3.37
6.59
5.4
4.5
4.46
0.176
0.221
0.188
0.252
0.156
0.216
0.194
0.249
0.28
0.268
0.279
0.256
0.268
0.293
0.272
0.265
ARGON
BROMINE
CHLORINE
HELIUM-4
KRYPTON
NEON
XENON
NITRIC OXIDE
NITROUS OXIDE
SULFUR DIOXIDE
SULFUR TRIOXIDE
OXYGEN
HYDROGEN
150.9
584.2
417.2
5.2
209.4
44.4
289.7
180.2
309.6
430.8
490.9
154.6
33.3
4.898
10.335
7.711
0.228
5.502
2.653
5.84
6.485
7.245
7.884
8.207
5.043
1.297
-0.004
0.119
0.069
0
0.001
-0.041
0.012
0.585
0.142
0.245
0.422
0.022
-0.215
0.291
0.287
0.275
0.302
0.288
0.3
0.286
0.25
0.274
0.269
0.256
0.288
0.3
16.033
18.631
13.531
12.557
Gases
914
922
918
913
920
919
959
912
899
910
911
901
902
Page 7
2.499
2.501
3.588
4.633
4.796
6.111
3.529
3.507
Crit. Props
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
126.1
132.9
304.2
3.394
3.499
7.382
0.04
0.066
0.228
0.292
0.295
0.274
373.5
552
653
324.6
456.8
8.937
7.8
14.5
8.2
5.32
0.081
0.115
0.328
0.12
0.407
0.283
0.293
0.26
0.249
0.197
508.2
545.5
592.7
406.6
647.3
4.701
4.833
5.786
11.27
22.12
0.306
0.353
0.462
0.252
0.344
0.233
0.184
0.2
0.242
0.233
3.5
3.505
4.456
4.109
5.47
8.96
15.011
4.289
4.041
References: API Technical Data Book (extant 1988), and Reid,R.C., Prausnitz,J.M., and Sherwood, T.K., The Pro
Page 8
Crit. Props
te Special... Values....
Page 9
Crit. Props
Page 10
Crit. Props
and Sherwood, T.K., The Properties of Liquids and Gases , 3rd Edition,Mcgraw-Hill, New York (1977)
Page 11
IG Cps
Paraffins
1 METHANE
2 ETHANE
3 PROPANE
4 n-BUTANE
5 ISOBUTANE
7 n-PENTANE
8 ISOPENTANE
9 NEOPENTANE (2,2-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
Page 12
19.25
5.409
-4.224
9.487
-1.39
-3.626
-9.525
-16.59
-4.413
-5.146
-6.096
5.21E-02
1.78E-01
3.06E-01
3.31E-01
3.85E-01
4.87E-01
5.07E-01
5.55E-01
5.28E-01
6.76E-01
7.71E-01
1.20E-05
-6.94E-05
-1.59E-04
-1.11E-04
-1.85E-04
-2.58E-04
-2.73E-04
-3.31E-04
-3.12E-04
-3.65E-04
-4.20E-04
IG Cps
Page 13
2.80E-01 -1.09E-04
4.33E-01 -2.32E-04
3.42E-01 -2.34E-04
4.59E-01 -3.34E-04
7.58E-02 -5.01E-05
4.74E-01
5.13E-01
7.07E-01
5.96E-01
6.30E-01
6.04E-01
7.84E-01
1.106
-3.02E-04
-2.77E-04
-4.81E-04
-3.44E-04
-3.75E-04
-3.37E-04
-5.09E-04
-8.86E-04
8.50E-01 -6.51E-04
9.39E-01 -6.94E-04
3.56E-01
2.61E-01
7.09E-02
2.14E-01
3.33E-01
1.89E-01
4.18E-01
4.69E-01
-1.90E-04
-1.25E-04
2.59E-05
-8.39E-05
-1.86E-04
6.41E-05
-2.24E-04
-2.88E-04
2.55E-01 -1.75E-04
IG Cps
1381
1479
1402
1403
DIMETHYL TEREPHTHALATE
TETRAHYDROFURAN(THF)
DIETHYL ETHER
ISOPROPYL ETHER
ETHYLENE OXIDE
Halocarbons
1501 CARBON TETRACHLORIDE
1502 METHYL CHLORIDE
1503 ETHYL CHLORIDE
1511 DICHLOROMETHANE
1521 CHLOROFORM(CHCl3)
CHLOROBENZENE
1591 VINYLIDENE CHLORIDE(1,1-C2H2Cl2)
1601 FREON-12(CCl2F2)
FREON-22(CClF2)
FREON-11(CCl3F)
FREON-113(C2Cl3F3)
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
Page 14
1.78E-01
1.62E-01
1.67E-01
2.87E-01
-1.51E-04
-1.17E-04
-1.42E-04
-2.42E-04
2.16E+01
2.81E+01
2.71E+01
3.12E+01
3.09E+01
1.98E+01
2.39E+01
1.92E+01
2.94E+01
2.08E+01
2.08E+01
7.28E-02
-3.68E-06
9.27E-03
-1.36E-02
-1.29E-02
7.34E-02
6.70E-02
1.37E-01
-9.38E-04
-5.78E-05
1.75E-05
-1.38E-05
2.68E-05
2.79E-05
-5.60E-05
-4.96E-05
-1.18E-04
9.75E-06
-7.20E-03
1.44E-03
8.13E-02
1.90E-01
6.06E-02
1.25E-05
2.43E-05
-7.67E-05
-1.66E-04
-4.96E-05
IG Cps
1772
1801
1802
1820
1877
1901
1902
1903
1911
1912
1921
ACETONITRILE
METHANETHIOL
ETHANETHIOL
DIMETHYL SULFIDE
UREA
SULFURIC ACID
PHOSPHORIC ACID
NITRIC ACID
AMMONIA
SODIUM HYDROXIDE
WATER
Page 15
IG Cps
en by the first
D
-1.13E-08
8.71E-09
3.22E-08
-2.82E-09
2.90E-08
5.31E-08
5.72E-08
7.63E-08
6.49E-08
7.66E-08
8.86E-08
1.03E-07
1.13E-07
1.36E-07
1.60E-07
1.85E-07
6.49E-08
8.01E-08
1.32E-08
9.37E-08
1.76E-08
2.21E-08
4.46E-08
Page 16
IG Cps
9.10E-09
4.68E-08
6.34E-08
1.00E-07
1.41E-08
7.13E-08
4.91E-08
1.30E-07
7.53E-08
8.48E-08
6.82E-08
1.29E-07
2.79E-07
1.98E-07
2.02E-07
3.92E-08
2.04E-08
-2.85E-08
1.37E-09
4.30E-08
-9.26E-08
4.69E-08
7.23E-08
4.95E-08
Page 17
IG Cps
1.45E-07
-9.36E-09
2.59E-08
8.84E-08
2.57E-09
6.66E-08
1.43E-07
4.34E-08
3.06E-08
4.15E-08
6.90E-08
1.83E-08
-1.07E-08
7.65E-09
-1.17E-08
-1.27E-08
1.72E-08
1.33E-08
3.70E-08
-4.19E-09
1.55E-08
4.53E-09
-3.90E-09
-1.18E-08
2.67E-08
6.03E-08
1.82E-08
Page 18
IG Cps
3.20E-09
-1.19E-08
-3.60E-09
Page 19