1 Center for Energy Resources Engineering, Center, Technical University of Denmark2 Center for Phase Equilibria and Separation Processes, Department of Chemical and Biochemical Engineering, Technical University of Denmark3 Department of Chemical and Biochemical Engineering, Technical University of Denmark
Perturbed chain-statistical associating fluid theory (PC-SAFT) was extended rigorously to polar fluids based on the theory of Stell and co-workers [Mol. Phys. 1977, 33, 987]. The new PC-PSAFT was simplified to truncated PC-PSAFT (tPC-PSAFT) so that it can be practical for real polar fluid thermodynamic calculations. In this work, tPC-PSAFT is generalized to multicomponent mixtures and evaluated for a wide range of highly nonideal polar mixtures. Binary and ternary mixtures of dipolar, quadrupolar, and/or associating fluids are examined. Vapor-liquid and liquid-liquid equilibria at low and high pressures are calculated. Comparisons against PC-SAFT calculations are made. It is shown that tPC-PSAFT is an accurate model for polar fluid mixture phase equilibria.
Industrial and Engineering Chemistry Research, 2006, Vol 45, Issue 17, p. 6063-6074