期刊
FARADAY DISCUSSIONS
卷 154, 期 -, 页码 155-169出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c1fd00043h
关键词
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资金
- FCT/Portugal [PTDC/QUI-QUI/101794/2008, SFRH/BPD/38339/2007]
- CNRS/France [PICS 3090]
- GRICES/Portugal
- MSDG
- Fundação para a Ciência e a Tecnologia [SFRH/BPD/38339/2007] Funding Source: FCT
Molecular dynamics simulations of a 5 nm-thick layer of the ionic liquid 1-(2-hydroxyethyl)-3-methylimidazolium tetrafluoroborate, [(OH)C(2)C(1)im][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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