Water and hexane in an ionic liquid: computational evidence of association under high pressure

High pressures may strongly affect the mesoscopic structure of some ionic liquids. In particular, the so called sponge-like structure is gradually destroyed when an increasing pressure is applied. Here we show how a polar solute, an apolar solute or a mixture thereof behave in the ionic liquid trihexyl, tetradecylphosphonium bis (trifluoromethylsulfonyl) imide when the pressure is raised up to 10 kbar. Our calculations clearly show an association between molecules that would not interact in ordinary conditions.