Issue 13, 2017

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

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.

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

Supplementary files

Article information

Article type
Communication
Submitted
10 Dec 2016
Accepted
28 Feb 2017
First published
03 Mar 2017

Phys. Chem. Chem. Phys., 2017,19, 8661-8666

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

A. Mariani, R. Caminiti and L. Gontrani, Phys. Chem. Chem. Phys., 2017, 19, 8661 DOI: 10.1039/C6CP08450H

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