tPC-PSAFT modeling of gas solubility in imidazolium-based ionic liquids

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

Research output: Contribution to journalArticle

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Abstract

The truncated perturbed chain-polar statistical associating fluid theory (tPC-PSAFT) is re-parametrized for imidazolium-based ionic liquids (ILs) by fitting IL density data over a wide temperature range and restricting the model to predict very low vapor pressure values, in agreement with recent experimental evidence. The new set of parameters is used for the correlation of carbon dioxide solubility in various ILs using a binary interaction parameter, k ij. The correlated kij values are much lower than the values used previously for the same mixtures (Kroon et al., J. Phys. Chem. B 2006, 110, 9262). Furthermore, the solubilities of carbon monoxide, oxygen, and trifluoromethane in 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim +][PF6-]) are correlated. In all cases, the agreement between tPC-PSAFT correlation and experimental data for mixtures is very good.

Original languageEnglish
Pages (from-to)15487-15492
Number of pages6
JournalJournal of Physical Chemistry C
Volume111
Issue number43
DOIs
Publication statusPublished - 1 Nov 2007
Externally publishedYes

Fingerprint

Ionic Liquids
Ionic liquids
solubility
Solubility
Gases
Fluids
fluids
liquids
gases
Correlation theory
Density of liquids
Carbon Monoxide
Vapor pressure
Carbon Dioxide
Carbon monoxide
carbon monoxide
vapor pressure
carbon dioxide
Carbon dioxide
low pressure

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Energy(all)
  • Surfaces, Coatings and Films
  • Physical and Theoretical Chemistry

Cite this

Karakatsani, E. K., Economou, I., Kroon, M. C., Peters, C. J., & Witkamp, G. J. (2007). tPC-PSAFT modeling of gas solubility in imidazolium-based ionic liquids. Journal of Physical Chemistry C, 111(43), 15487-15492. https://doi.org/10.1021/jp070556+

tPC-PSAFT modeling of gas solubility in imidazolium-based ionic liquids. / Karakatsani, Eirini K.; Economou, Ioannis; Kroon, Maaike C.; Peters, Cor J.; Witkamp, Geert Jan.

In: Journal of Physical Chemistry C, Vol. 111, No. 43, 01.11.2007, p. 15487-15492.

Research output: Contribution to journalArticle

Karakatsani, EK, Economou, I, Kroon, MC, Peters, CJ & Witkamp, GJ 2007, 'tPC-PSAFT modeling of gas solubility in imidazolium-based ionic liquids', Journal of Physical Chemistry C, vol. 111, no. 43, pp. 15487-15492. https://doi.org/10.1021/jp070556+
Karakatsani, Eirini K. ; Economou, Ioannis ; Kroon, Maaike C. ; Peters, Cor J. ; Witkamp, Geert Jan. / tPC-PSAFT modeling of gas solubility in imidazolium-based ionic liquids. In: Journal of Physical Chemistry C. 2007 ; Vol. 111, No. 43. pp. 15487-15492.
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