Issue 40, 2008
From the journal:

Physical Chemistry Chemical Physics

Equation of state modeling of the phase equilibria of ionic liquid mixtures at low and high pressure

Eirini K. Karakatsani,a   Ioannis G. Economou,*a   Maaike C. Kroon,b   Maria D. Bermejo,c   Cor J. Petersb  and  Geert-Jan Witkampb  

* Corresponding authors

a Molecular Thermodynamics and Modeling of Materials Laboratory, Institute of Physical Chemistry, National Center for Scientific Research, “Demokritos”, Aghia Paraskevi Attikis, Greece
E-mail: economou@chem.demokritos.gr

b Laboratory for Process Equipment, P & E Building, Faculty of Mechanical, Maritime and Materials Engineering, Delft University of Technology, Leeghwaterstraat 44, Delft, The Netherlands

c High Pressure Process Group, Department of Chemical Engineering and Environmental Technology, University of Valladolid, Prado de la Magdalena s/n, Valladolid, Spain

Abstract

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.

Graphical abstract: Equation of state modeling of the phase equilibria of ionic liquid mixtures at low and high pressure

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Article information

DOI
https://doi.org/10.1039/B806584P
Article type
Paper
Submitted
17 Apr 2008
Accepted
30 Jun 2008
First published
29 Aug 2008

Phys. Chem. Chem. Phys., 2008,10, 6160-6168

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Equation of state modeling of the phase equilibria of ionic liquid mixtures at low and high pressure

E. K. Karakatsani, I. G. Economou, M. C. Kroon, M. D. Bermejo, C. J. Peters and G. Witkamp, Phys. Chem. Chem. Phys., 2008, 10, 6160 DOI: 10.1039/B806584P

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