Aspen Physical Property System - Physical Property Models

Parameter
Name/Element
NTHDDH 0 †
2 Thermodynamic Property Models 35
Symbol Default Lower
Limit
Upper Limit Units
— — MOLE-
ENTHALPY
† For the following systems, the values given in Nothnagel et al., 1973 are
used by default:
� Methyl chloride/acetone
� Acetonitrile/acetaldehyde
� Acetone/chloroform
� Chloroform/diethyl amine
� Acetone/benzene
� Benzene/chloroform
� Chloroform/diethyl ether
� Chloroform/propyl formate
� Chloroform/ethyl acetate
� Chloroform/methyl acetate
� Chloroform/methyl formate
� Acetone/dichloro methane
� n-Butane/n-perfluorobutane
� n-Pentane/n-perfluoropentane
� n-Pentane/n-perfluorohexane
References
K.-H. Nothnagel, D. S. Abrams, and J.M. Prausnitz, "Generalized Correlation
for Fugacity Coefficients in Mixtures at Moderate Pressures," Ind. Eng. Chem.,
Process Des. Dev., Vol. 12, No. 1 (1973), pp. 25 – 35.
Copolymer PC-SAFT EOS Model
This section describes the Copolymer Perturbed-Chain Statistical Associating
Fluid Theory (PC-SAFT). This equation-of-state model is used through the PC-
SAFT property method.
The copolymer PC-SAFT represents the completed PC-SAFT EOS model
developed by Sadowski and co-workers (Gross and Sadowski, 2001, 2002a,
2002b; Gross et al., 2003; Becker et al., 2004; Kleiner et al., 2006). Unlike
the PC-SAFT EOS model (POLYPCSF) in Aspen Plus, the copolymer PC-SAFT
includes the association and polar terms and does not apply mixing rules to
calculate the copolymer parameters from its segments. Its applicability covers
fluid systems from small to large molecules, including normal fluids, water,
alcohols, and ketones, polymers and copolymers and their mixtures.
Copolymer PC-SAFT Fundamental Equations
The copolymer PC-SAFT model is based on the perturbation theory. The
underlying idea is to divide the total intermolecular forces into repulsive and
attractive contributions. The model uses a hard-chain reference system to