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Issue 13, 2017
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Water and hexane in an ionic liquid: computational evidence of association under high pressure

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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.

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

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Publication details

The article was received on 10 Dec 2016, accepted on 28 Feb 2017, published on 03 Mar 2017 and first published online on 03 Mar 2017


Article type: Communication
DOI: 10.1039/C6CP08450H
Citation: Phys. Chem. Chem. Phys., 2017,19, 8661-8666
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    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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