The phase behaviour of binary mixtures of 1-alkyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}imide-based ionic liquids, with different amines or alcohols is compared. Significant changes are found, for example, changing between diethylamine and triethylamine, LCST and �hourglass� shapes are observed.  Their phase behaviours have been then correlated and predicted by using Flory-Huggins equations and UNIQUAC method implemented into Aspen. In order to explain the differences observed, the liquid structure of the ionic liquids + diethylamine and methanol have been examined using molecular dynamics simulation and neutron diffraction.  The main interaction of methanol is with the cation head group of the ionic liquid for alkyl chains longer than 8 carbon atoms. It is also observed that the mixing is less favourable for the smaller alcohols whereas, in the case of the amine, the anion-solute interaction is dominant.

Phase behaviour and structure of ionic liquid – amine/alcohol mixtures

243rd National Meeting (2012)

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