PSRK: A Group Contribution Equation of State Based on UNIFAC
1991; Elsevier BV; Volume: 70; Issue: 2-3 Linguagem: Inglês
10.1016/0378-3812(91)85038-v
ISSN1879-0224
AutoresT. Holderbaum, Jürgen Gmehling,
Tópico(s)Chemical Thermodynamics and Molecular Structure
ResumoA group contribution equation of state called PSRK (Predictive Soave-Redlich-Kwong) which is based on the Soave-Redlich-Kwong equation (Soave, 1972) has been developed. It uses the UNIFAC method to calculate the mixture parameter a and includes all already existing UNIFAC parameters. This concept makes use of recent developments by Michelsen (1990b) and has the main advantage, that vapor-uquid-equilibria (VLB) can be predicted for a large number of systems without introducing new model parameters that must be fitted to experimental VLB-data. The PSRK equation of state can be used for VLB-predictions over a much larger temperature and pressure range than the UNIFAC γ-ϕ-approach and is easily extended to mixtures containing supercritical compounds. Additional PSRK parameters, which allow the calculation of gas/gas and gas/alkane phase equilibria, are given in this paper. In addition to those mixtures covered by UNIFAC, phase equilibrium calculations may also include gases like CH4 C2H6, C3H6, c4H10, CO2, N2, H2 and CO.
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