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 trihe...

Full description

Saved in:
Bibliographic Details
Published in:Physical chemistry chemical physics : PCCP 2017, Vol.19 (13), p.8661-8666
Main Authors: Mariani, A, Caminiti, R, Gontrani, L
Format: Article
Language:English
Subjects:
Computation
Hexanes
Imides
Ionic liquids
Mathematical analysis
Physical chemistry
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary: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.
ISSN:1463-9076
1463-9084
DOI:10.1039/c6cp08450h