Prediction of Infinite Dilution Activity Coefficients of Organic Compounds in Ionic Liquids Using COSMO-RS

Abstract

COSMO-RS, a general and fast method for the prediction of thermophysical data of liquids, is used for the calculation of activity coefficients at infinite dilution for 38 compounds in the ionic liquids 1-methyl-3-ethylimidazolium bis((trifluoromethyl)sulfonyl)imide, 1,2-dimethyl-3-ethylimidazolium bis((trifluoromethyl)sulfonyl)imide, and 4-methyl-N-butylpyridinium tetrafluoroborate. Calculated values for (314 and 344) K are presented and compared with experimental data.