Equation of state modeling of the phase equilibria of ionic liquid mixtures at low and high pressure.
Accurate design of processes based on ionic liquids (ILs) requires knowledge of the phase behavior of the systems involved. In this work, the truncated perturbed chain polar statistical associating fluid theory (tPC-PSAFT) is used to correlate the phase behavior of binary and ternary IL mixtures. Both non-polar and polar solvents are examined, while methyl imidazolium ILs are used in all cases. tPC-PSAFT accounts explicitly for weak dispersion interactions, highly directive polar interactions between permanent dipolar and quadrupolar molecules and association between hydrogen bonding molecules. For mixtures of non-polar solvents, tPC-PSAFT predicts accurately the binary mixture data. For the case of polar solvents, a binary interaction parameter is fitted to the experimental data and the agreement between experiment and correlation is very good in all cases.
Karakatsani
Eirini K
EK
Molecular Thermodynamics and Modeling of Materials Laboratory, Institute of Physical Chemistry, National Center for Scientific Research, "Demokritos", GR-15310 Aghia Paraskevi Attikis, Greece.
Economou
Ioannis G
IG
Kroon
Maaike C
MC
Bermejo
Maria D
MD
Peters
Cor J
CJ
Witkamp
Geert-Jan
GJ