Preos
Preos
Preos
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.
Page 1
PVT
Peng-Robinson Equation of State (Pure Fluid) Spreadsheet protected, but no password used.
Properties
Gas Tc (K) Pc (MPa) w
METHANE 190.6 4.604 0.011
Intermediate Calculations
Current State Roots R(cm3MPa/molK) 8.314472 ac=
T (K) 300 Z V fugacity Tr 1.573977 a (MPa cm /gmol )
6 2
Page 2
PVT
Cvr= 0.12385
Cpr= 1.087083
Cpig= 35.66066
Cvig= 27.34619
Cp= 36.74774 Cp/Cv= 1.337739
Cv= 27.47004
Page 3
PVT
249413.408925
393.949704025
-3.936366E-05
Page 4
Props
Peng-Robinson Equation of State (Pure Fluid) Spreadsheet protected, but no password used.
Properties Heat Capacity constants from Appendix ideal gas Hig - HRig Uig - URig Sig -SRig
Gas Tc (K) Pc (MPa) w A B C D values J/mol J/mol J/molK
PROPANE 369.8 4.249 0.152 19.25 5.21E-02 1.20E-05 -1.13E-08 -3847.655 -3016.208 -30.175
Intermediate Calculations
R(cm3MPa/molK) 8.314472
Method 1 - For region with one real root Tr 0.8112493 a (MPa cm6/gmol2)
P Q Root to equation in x Pr 0.2353495 1142765
Err:502 Err:502 Err:502 k 0.6028273 b (cm3/gmol)
a 1.1233127 56.29535
Method 2 - For region with three real roots A 0.183673
m 3q/pm 3*q1 q1 Roots to equation in x B 0.022569
0.491867964 0.946471207 0.32867396 0.10955799 0.488919 -0.197884 -0.291035
Reference State Info from 'Ref State' (enter data on Worksheet 'Ref State')
T= 400 igrflag= 1
P= 0.1 uhflag= 1
index= 1
Page 5
Ref State
Peng-Robinson Equation of State (Pure Fluid) Spreadsheet protected, but no password used.
Properties
Gas Tc (K) Pc (MPa) w Enter Name and Critical
PROPANE 369.8 4.249 0.152 Properities on "Props"
Worksheet.
Reference State For real fluid Roots
T (K) 400 reference state Z V fugacity H-Hig U-Uig S-Sig
P (MPa) 0.1 identifier index cm /gmol
3
MPa J/mol J/mol J/molK
0 for HR = 0, 1 for UR = 0 1 #NUM! #NUM! #NUM! #NUM! #NUM! #NUM! answers for three
0 #NUM! #NUM! root region
0 for ig, 1 for real fluid ref 2 #NUM! #NUM! #NUM! #NUM! #NUM! #NUM!
1 3 0.992916 33022.3 0.099295 -71.66381 -48.10475 -0.120335 & for 1 root region
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!
1
Intermediate Calculations
R(cm3MPa/molK) 8.314472
Method 1 - For region with one real root Tr 1.081666 a (MPa cm6/gmol2)
P Q Root to equation in x Pr 0.023535 968809.6
0.331335247 0.328811899 0.660147 k 0.602827 b (cm3/gmol)
a 0.952318 56.29535
Method 2 - For region with three real roots A 0.008759
m 3q/pm 3*q1 q1 Roots to equation in x B 0.001693
0.660142324 1.00006575 #NUM! #NUM! #NUM! #NUM! #NUM!
Page 6
Crit. Props
Hint: To transfer values to the other worksheets, copy the desired cells, then use Paste Special... Values....
in order to preserve the formats of the cells.
Page 7
Crit. Props
Page 8
Crit. Props
References: API Technical Data Book (extant 1988), and Reid,R.C., Prausnitz,J.M., and Sherwood, T.K., The Properties of Liquids and Gases , 3rd Editi
Page 9
Crit. Props
Page 10
IG Cps
Hint: To transfer values to the other worksheets, copy the desired cells, then use Paste Special... Values....
in order to preserve the formats of the cells.
Caution: Note that the value of the heat capacity at room temperature is not given by the first
coefficient A. The polynomial should not be truncated.
Compound A B C D
Paraffins
1 METHANE 19.25 5.21E-02 1.20E-05 -1.13E-08
2 ETHANE 5.409 1.78E-01 -6.94E-05 8.71E-09
3 PROPANE -4.224 3.06E-01 -1.59E-04 3.22E-08
4 n-BUTANE 9.487 3.31E-01 -1.11E-04 -2.82E-09
5 ISOBUTANE -1.39 3.85E-01 -1.85E-04 2.90E-08
7 n-PENTANE -3.626 4.87E-01 -2.58E-04 5.31E-08
8 ISOPENTANE -9.525 5.07E-01 -2.73E-04 5.72E-08
9 NEOPENTANE (2,2-Dimethylpropane) -16.59 5.55E-01 -3.31E-04 7.63E-08
11 n-HEXANE -4.413 5.28E-01 -3.12E-04 6.49E-08
17 n-HEPTANE -5.146 6.76E-01 -3.65E-04 7.66E-08
27 n-OCTANE -6.096 7.71E-01 -4.20E-04 8.86E-08
41 ISOOCTANE
46 n-NONANE -8.374 8.73E-01 -4.82E-04 1.03E-07
56 n-DECANE -7.913 9.61E-01 -5.29E-04 1.13E-07
64 n-DODECANE -9.328 1.149 -6.35E-04 1.36E-07
66 n-TETRADECANE -1.10E+01 1.338 -7.42E-04 1.60E-07
68 n-HEXADECANE -1.30E+01 1.529 -8.54E-04 1.85E-07
Naphthenes
104 CYCLOPENTANE -5.36E+01 5.43E-01 -3.03E-04 6.49E-08
105 METHYLCYCLOPENTANE -5.01E+01 6.38E-01 -3.64E-04 8.01E-08
137 CYCLOHEXANE -5.45E+01 6.11E-01 -2.52E-04 1.32E-08
138 METHYLCYCLOHEXANE -6.19E+01 7.84E-01 -4.44E-04 9.37E-08
153 cis-DECALIN
154 trans-DECALIN
Olefins and Acetylene
201 ETHYLENE 3.806 1.57E-01 -8.35E-05 1.76E-08
202 PROPYLENE 3.71 2.35E-01 -1.16E-04 2.21E-08
204 1-BUTENE -2.994 3.53E-01 -1.99E-04 4.46E-08
205 cis-2-BUTENE
206 trans-2-BUTENE
207 ISOBUTENE (Isobutylene) 1.61E+01 2.80E-01 -1.09E-04 9.10E-09
209 1-PENTENE -1.34E-01 4.33E-01 -2.32E-04 4.68E-08
216 1-HEXENE
260 1-DECENE
270 CYCLOHEXENE
303 1,3-BUTADIENE -1.687 3.42E-01 -2.34E-04 6.34E-08
Page 11
IG Cps
Page 12
IG Cps
Page 13
IG Cps
pecial... Values....
4.605263
Page 14
2/17/2013 turned on protection for Props, Ref State, Crit. Props, IG Cps