Kontogeorgis, Georgios3; Michelsen, Michael Locht3; Folas, Georgios2; Derawi, Samer2; von Solms, Nicolas3; Stenby, Erling Halfdan3
1 Center for Phase Equilibria and Separation Processes, Department of Chemical and Biochemical Engineering, Technical University of Denmark2 Department of Chemical and Biochemical Engineering, Technical University of Denmark3 Center for Energy Resources Engineering, Center, Technical University of Denmark
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.
Industrial and Engineering Chemistry Research, 2006, Vol 45, Issue 14, p. 4869-4878