Modeling the phase behavior of ternary systems ionic liquid + organic + c02 with a group contribution equation of state

Eliane Kühne, Angel Martin, Geert-Jan Witkamp, Cor J. Peters

Research output: Contribution to journalArticlepeer-review

15 Scopus citations


This work presents the results of the use of a Group Contribution Equation of State (GC-EOS) to model experimental data obtained for ternary systems of the type bmim[BF4] + organic solute + CO2 with four different organic compounds, namely acetophenone, 1-phe-nylethanol, 4- isobutylacetophenone, and 1-(4-isobutylphenyl)-ethanol. Our results show that the GC-EOS is able to qualitatively predict not only L+V→L but also L 1+L2→L phase transitions. As the two two-phase boundaries L+V and L1+L2 of the experimentally found three-phase region L1+L2+V almost coincide with the saturated vapor pressure curve of pure CO2, the phase transitions L+V→L1+L2+V and L1+L2+V→ L1+L2 have been represented as this vapor-pressure curve by the model. The average absolute deviations between experimental and predicted values for all phase transitions have been found to be very satisfactory.

Original languageEnglish (US)
Pages (from-to)1265-1273
Number of pages9
JournalAIChE Journal
Issue number5
StatePublished - May 1 2009


  • 1-buty1-3-methylimidazolium tetrafluoroborate
  • Bmim[BF]
  • CO
  • Group contribution
  • Thermodynamic modeling

ASJC Scopus subject areas

  • Biotechnology
  • Environmental Engineering
  • Chemical Engineering(all)


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