Ten Years with the CPA (Cubic-Plus-Association) Equation of State. Part 2. Cross-Associating and Multicomponent Systems

In this second article of the review on the applications of the CPA (Cubic-Plus-Association) equation of state, the focus is placed on cross-associating systems. Various such mixtures are investigated, including (i) systems with two self-associating compounds (e.g., water−alcohol systems or glycols,...

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Veröffentlicht in:Industrial & engineering chemistry research 2006-07, Vol.45 (14), p.4869-4878
Hauptverfasser: Kontogeorgis, Georgios M, Michelsen, Michael L, Folas, Georgios K, Derawi, Samer, von Solms, Nicolas, Stenby, Erling H
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Sprache:eng
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Zusammenfassung:In this second article of the review on the applications of the CPA (Cubic-Plus-Association) equation of state, the focus is placed on cross-associating systems. Various such mixtures are investigated, including (i) systems with two self-associating compounds (e.g., water−alcohol systems or glycols, mixtures with organic acids, or two alcohols) but also binaries with only one self-associating substance, where solvation is expected (e.g., CO2 or styrene with water). The method of accounting for cross-association (combining rules) and the association scheme of alcohols are investigated. Finally, the manuscript concludes with a summary of current capabilities and limitations of CPA and a list of future challenges.
ISSN:0888-5885
1520-5045
DOI:10.1021/ie051306n