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

Literature Information

Publication Date 2017-03-03
DOI 10.1039/C6CP08450H
Impact Factor 3.676
Authors

A. Mariani, L. Gontrani


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Abstract

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 (trifluoromethyl-sulfonyl) 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.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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