Modelling room temperature ionic liquids

被引：150

作者：

Bhargava, B. L. ^{[1
]}

Balasubramanian, Sundaram ^{[2
]}

Klein, Michael L. ^{[1
]}

机构：

[1] Univ Penn, Ctr Mol Modeling, Dept Chem, Philadelphia, PA 19104 USA

[2] Indian Inst Sci, Jawaharlal Nehru Ctr Adv Sci Res, Chem & Phys Mat Unit, Bangalore 560064, Karnataka, India

来源：

CHEMICAL COMMUNICATIONS | 2008年 / 29期

关键词：

D O I：

10.1039/b805384g

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Room temperature ionic liquids (IL) composed of organic cations and inorganic anions are already being utilized for wide-ranging applications in chemistry. Complementary to experiments, computational modelling has provided reliable details into the nature of their interactions. The intra- and intermolecular structures, dynamic and transport behaviour and morphologies of these novel liquids have also been explored using simulations. The current status of molecular modelling studies is presented along with the prognosis for future work in this area.

引用

页码：3339 / 3351

页数：13

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