Abraham model correlations for describing solute transfer into ionic liquid solvents: calculation of ion-specific equation coefficients for the 4,5-dicyano-2-(trifluoromethyl)imidazolide anion

作者：Stephens Timothy W; Hart Erin; Kuprasertkul Napasorn; Mehta Sumedha; Wadawadigi Akash; Acree William E Jr^*; Abraham Michael H

来源：Physics and Chemistry of Liquids, 2014, 52(6): 777-791.

DOI：10.1080/00319104.2014.929949

• ionic liquids
• partition coefficients
• activity coefficients
• predictive methods

Gas-to-ionic liquid (IL) partition coefficients have been compiled from the published literature for solutes dissolved in anhydrous 1-butyl-3-methylimidazolium 4,5-dicyano-2-(trifluoromethyl)imidazolide, ([BMIm](+)[TDI](-)), and 3-methyl-N-butylpyridinium 4,5-dicyano-2-(trifluoromethyl)imidazolide, ([3-MBPy](+)[TDI](-)). The compiled partition coefficients were converted to water-to-IL partition coefficients using the corresponding gas-to-water partition coefficients. Both sets of partition coefficients were analysed using the ion-specific equation coefficient version of the Abraham solvation parameter model. Equation coefficients are determined for the first time for 4,5-dicyano-2-(trifluoromethyl)imidazolide. Mathematical correlations derived from the Abraham model describe the observed gas-to-IL and water-to-IL partition coefficient data to within a standard deviation of 0.07 and 0.11 log units, respectively.

• 出版日期2014-11-2