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Volume 154, 2012

2D or not 2D: Structural and charge ordering at the solid-liquid interface of the 1-(2-hydroxyethyl)-3-methylimidazolium tetrafluoroborate ionic liquid

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Abstract

Molecular dynamics simulations of a 5 nm-thick layer of the ionic liquid 1-(2-hydroxyethyl)-3-methylimidazolium tetrafluoroborate, [(OH)C2C1im][BF4], over silica, alumina and boro-silicate glass substrates have been performed. The structure of the ionic liquid at the solid-liquid interface has been interpreted taking into account the corresponding normal density profiles, lateral interfacial structure, orientational ordering and planar density contours. Comparisons with experimental data suggest that the adsorption and stratification process of ionic liquids over solid substrates can be correctly modeled using a realistic rendition of a non-uniform amorphous substrate such as a glass material.

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Article information


Submitted
15 Mar 2011
Accepted
13 Apr 2011
First published
14 Jul 2011

Faraday Discuss., 2012,154, 155-169
Article type
Paper

2D or not 2D: Structural and charge ordering at the solid-liquid interface of the 1-(2-hydroxyethyl)-3-methylimidazolium tetrafluoroborate ionic liquid

K. Shimizu, A. Pensado, P. Malfreyt, A. A. H. Pádua and J. N. Canongia Lopes, Faraday Discuss., 2012, 154, 155 DOI: 10.1039/C1FD00043H

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