Modeling of the carbon dioxide solubility in imidazolium-based ionic liquids with the tPC-PSAFT equation of state. Academic Article uri icon


  • In this work, an equation of state (EoS) is developed to predict accurately the phase behavior of ionic liquid + CO2 systems based on the truncated perturbed chain polar statistical associating fluid theory (tPC-PSAFT) EoS. This EoS accounts explicitly for the dipolar interactions between ionic liquid molecules, the quadrupolar interactions between CO2 molecules, and the Lewis acid-base type of association between the ionic liquid and the CO2 molecules. Physically meaningful model pure-component parameters for ionic liquids are estimated based on literature data. All experimental vapor-liquid equilibrium data are correlated with a single linearly temperature-dependent binary interaction parameter. The ability of the model to describe accurately carbon dioxide solubility in various 1-alkyl-3-methylimidazolium-based ionic liquids with different alkyl chain lengths and different anions at pressures from 0 to 100 MPa and carbon dioxide fractions from 0 to 75 mol % is demonstrated. In all cases, good agreement with experimental data is obtained.

published proceedings

  • J Phys Chem B

altmetric score

  • 5.08

author list (cited authors)

  • Kroon, M. C., Karakatsani, E. K., Economou, I. G., Witkamp, G., & Peters, C. J.

citation count

  • 155

complete list of authors

  • Kroon, Maaike C||Karakatsani, Eirini K||Economou, Ioannis G||Witkamp, Geert-Jan||Peters, Cor J

publication date

  • May 2006