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

Eirini K. Karakatsani, Ioannis Economou, Maaike C. Kroon, Maria D. Bermejo, Cor J. Peters, Geert Jan Witkamp

Research output: Contribution to journalArticle

34 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)6160-6168
Number of pages9
JournalPhysical Chemistry Chemical Physics
Volume10
Issue number40
DOIs
Publication statusPublished - 2008
Externally publishedYes

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Ionic Liquids
Equations of state
Phase equilibria
equations of state
low pressure
Phase behavior
Pressure
Fluids
fluids
liquids
Molecules
interactions
Hydrogen Bonding
Binary mixtures
binary mixtures
molecules
Hydrogen bonds
Association reactions
hydrogen
Low's mixture

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Equation of state modeling of the phase equilibria of ionic liquid mixtures at low and high pressure. / Karakatsani, Eirini K.; Economou, Ioannis; Kroon, Maaike C.; Bermejo, Maria D.; Peters, Cor J.; Witkamp, Geert Jan.

In: Physical Chemistry Chemical Physics, Vol. 10, No. 40, 2008, p. 6160-6168.

Research output: Contribution to journalArticle

Karakatsani, Eirini K. ; Economou, Ioannis ; Kroon, Maaike C. ; Bermejo, Maria D. ; Peters, Cor J. ; Witkamp, Geert Jan. / Equation of state modeling of the phase equilibria of ionic liquid mixtures at low and high pressure. In: Physical Chemistry Chemical Physics. 2008 ; Vol. 10, No. 40. pp. 6160-6168.
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