PCP-SAFT

PCP-SAFT (Perturbed-Chain Polar Statistical Association Fluid Theory) is an equation of state that is based on statistical mechanics. The behavior of molecules on a microscopic level is used to predict the macroscopic behavior of a fluid. Because of the strong physical background it is robust, consistent, and predictive. It is successful in predicting vapor-liquid equilibria of complex fluids and suitable for estimating properties of complex fluids and of mixtures in general for liquid and vapor phases. The contribution of (self)association and polar interactions (dipolar, quadrupolar, and dipolar-quadrupolar contributions) are taken into account. PCP-SAFT is not able to account for long-range density fluctuations in the critical region and as a result the properties, which are calculated in that region, are not accurate. In order to obtain a complete the thermodynamic model a third order polynomial function for the calculation of the ideal gas heat capacity was added.

 

The PCP-SAFT components can be used as pure fluids or in a mixture. PCP-SAFT provides thermodynamic and transport properties for the fluids in Table 1. The listed FluidProp names (either short or long) must be used to specify the fluid name in the SetFluid method.

 

Table 1

FluidProp Name (short) FluidProp Name (long) Tc [°C] Pc [bar] MW [g/mol] Tmin[°C] Tmax[°C]
C3H6O
acetone
58.0800
248.44
56.53
-73.15
626.85
Ar
argon
39.9480
-122.18
49.09
-73.15
626.85
C6H6
benzene
78.1140
299.24
55.38
-73.15
626.85
C4H10
butane
58.1230
159.35
42.19
-73.15
626.85
CO2
carbon dioxide
44.0098
31.84
75.14
-73.15
626.85
CO
carbon monoxide
28.0101
-139.14
35.33
-73.15
626.85
D4
D4
296.6158
319.85
15.24
-73.15
626.85
D5
D5
370.7697
347.76
12.34
-73.15
626.85
D6
D6
444.9236
374.92
10.35
-73.15
626.85
DEPEG
DEPEG
273.0000
502.99
19.66
-73.15
626.85
diglyme
diEGDME
134.1736
352.45
35.26
-73.15
626.85
decaglyme
decaEGDME
486.0000
617.74
10.62
-73.15
626.85
C2H5OC2H5
diethylether
74.1230
203.48
42.36
-73.15
626.85
CH3OCH3
dimethylether
46.0690
134.37
59.56
-73.15
626.85
dodecaglyme
dodecaEGDME
574.0000
648.14
8.67
-73.15
626.85
C2H6
ethane
30.0700
35.81
51.63
-73.15
626.85
C2H5OH
ethanol
46.0690
259.98
83.38
-73.15
626.85
heptaglyme
heptaEGDME
354.0000
556.23
15.14
-73.15
626.85
C7H16
heptane
100.2030
278.97
32.49
-73.15
626.85
C16H34
hexadecane
226.4460
464.48
17.91
-73.15
626.85
hexaglyme
hexaEGDME
310.0000
529.30
17.36
-73.15
626.85
C6F6
hexafluoro benzene
186.0546
269.60
41.53
-73.15
626.85
C6H14
hexane
86.1770
246.19
35.43
-73.15
626.85
H2
hydrogen
2.0160
-208.73
125.95
-73.15
626.85
H2S
hydrogen sulfide
34.0809
103.09
93.82
-73.15
626.85
MD2M
MD2M
310.6900
329.89
12.94
-73.15
626.85
MD3M
MD3M
384.8430
358.55
10.75
-73.15
626.85
MD4M
MD4M
459.0000
382.86
9.22
-73.15
626.85
MDM
MDM
236.5300
297.68
16.25
-73.15
626.85
CH4
methane
16.0430
-81.74
46.75
-73.15
626.85
CH4O
methanol
32.0422
258.38
106.55
-73.15
626.85
MM
MM
162.3790
250.46
21.54
-73.15
626.85
monoglyme
monoEGDME
90.1210
273.39
45.73
-73.15
626.85
N2
nitrogen
28.0130
-146.27
34.65
-73.15
626.85
nonaglyme
nonaEGDME
442.0000
599.81
11.86
-73.15
626.85
octaglyme
octaEGDME
398.0000
579.50
13.35
-73.15
626.85
C8H18
octane
114.2310
309.92
30.19
-73.15
626.85
O2
oxygen
31.9988
-118.29
50.61
-73.15
626.85
C5H12
pentane
72.1460
206.13
38.25
-73.15
626.85
pentaglyme
pentaEGDME
266.3310
497.81
20.13
-73.15
626.85
C3H8
propane
44.0960
101.97
46.08
-73.15
626.85
tetraglyme
tetraEGDME
222.2790
458.39
23.70
-73.15
626.85
C7H8
toluene
92.1410
331.29
48.08
-73.15
626.85
triglyme
triEGDME
178.2261
341.02
14.56
-73.15
626.85
undecaglyme
undecaEGDME
530.0000
633.75
9.57
-73.15
626.85
H2O
water
18.0150
424.23
366.22
-73.15
626.85