Computational study of 1-Butyl-3-Methylimidazolium Tetrafluoroborate ionic liquid-water system

被引：0

作者：

Patachia, Silvia ^{[1
]}

Crottoru, Catalin ^{[1
]}

Friedrich, Christian ^{[2
]}

机构：

[1] Transilvania Univ Brasov, Dept Chem, Eroilor 29 Str, Brasov 500036, Romania

[2] Ludwigs Albert Univ Freiburg, Freiberg, Germany

来源：

MACMESE 2008: PROCEEDINGS OF THE 10TH WSEAS INTERNATIONAL CONFERENCE ON MATHEMATICAL AND COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING, PTS I AND II | 2008年

关键词：

ionic liquid; interaction; molecular dynamics; energy minimization; force field; MM2;

D O I：

暂无

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Ionic liquids [ILs] are a class of "green" organic solvents with a large pleads of applications. The complex atteractions that occur between the water molecules and ions coming from ionic liquids define their behaviour in different situations. In this work, some aspects regarding the behaviour of 1-Butyl-3-Methylimidazolium detrafluoroborate ionic liquid in water have been simulated with specialized software and correlated with existent,experimental data, in order to understand better the complexity of the ionic liquid-water system and to define future applications.

引用

页码：469 / +

页数：2

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