Computational and Physical Performance of a Modified PC-SAFT Equation of State for Highly Asymmetric and Associating Mixtures

Nicolas von Solms, Michael Locht Michelsen, Georgios Kontogeorgis

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

Two modifications to perturbed-chain statistical associating fluid theory are proposed which simplify the calculation of phase-equilibrium properties for nonassociating and associating systems, polymers, and simple molecules without loss of accuracy. A simple linear extrapolation scheme is proposed to obtain parameters for linear alkanes up to polyethylene. It is shown that computing times are greatly reduced using these modifications and compare favorably with traditional equations of state for nonassociating and associating systems.
Original languageEnglish
JournalIndustrial & Engineering Chemistry Research
Volume42
Issue number5
Pages (from-to)1098-1105
ISSN0888-5885
DOIs
Publication statusPublished - 5 Mar 2003

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