Capabilities, limitations and challenges of a simplified PC-SAFT equation of state

Nicolas von Solms, Irene Kouskoumvekaki, Michael Locht Michelsen, Georgios Kontogeorgis

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PC-SAFT (perturbed-chain statistical associating fluid theory) is a novel equation of state, proposed by Gross and Sadowski in 2001 [J. Gross, G. Sadowski, Perturbed-chain SAFT: an equation of state based on a perturbation theory for chain molecules, Ind. Eng. Chem. Res. 40 (2001) 1244]. It is a variant of the SAFT family and has already found several successful applications, especially for polymer and co-polymer solutions at both low and high pressures. Recently, a simplified version of PC-SAFT proposed by von Solms et al. [N. von Solms, M.L. Michelsen, G.M. Kontogeorgis, Computational and physical performance of a modified PC-SAFT equation of state for highly asymmetric and associating mixtures, Ind. Eng. Chem. Res. 42 (2003) 1098.] has been applied to several complex polymer-sol vent systems, including vapor-liquid equilibria, liquid-liquid equilibria and gas solubilities for both single-solvent and mixed-solvents (ternary) systems. This manuscript briefly reviews previous successful applications of PC-SAFT, illustrates the capabilities of the model and indicates some problems and limitations in specific areas, especially aqueous systems and blends, as well as challenges that need to be addressed in the future for describing various systems of practical significance. (c) 2006 Elsevier B.V. All rights reserved.
Original languageEnglish
JournalFluid Phase Equilibria
Issue number1-2
Pages (from-to)344-353
Publication statusPublished - 2006


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