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 |