Present status of the modified UNIFAC model for the prediction of phase equilibria and excess enthalpies for systems with ionic liquids

• New experimental vapor–liquid equilibria for systems with ionic liquids were measured.
• New excess enthalpies for systems with ionic liquids were measured.
• The extended and revised modified UNIFAC parameters for ionic liquids are presented.
• Typical results for VLE, excess enthalpies and activity coefficients for various system with ionic liquids are shown.

The modified UNIFAC (Dortmund) parameter matrix for ionic liquids has been extended. Two new main groups for the anions alkylsulfate [RSO4]− and hexafluorophosphate [PF6]− were introduced. Additionally new interaction parameters for pyrrolidinium [RMPYR]+ and pyridinium [RPY]+ cations as well as 1 for trifluoromethanesulfonate [OTF]− and tetrafluoroborate [BF4]− anions have been fitted to the available experimental data. In addition existing parameters have been revised. This article will give an overview about the current status of the modified UNIFAC (Dortmund) parameter matrix for ionic liquids. Typical results are presented for various systems. For the further development vapor–liquid equilibria and excess enthalpies were measured.

Current status of the modified UNIFAC parameter matrix for ionic liquids.Figure optionsDownload as PowerPoint slide