离子液体的量化计算及分子动力学模拟研究进展

被引：15

作者：

吴丽 ^{[1
,2
]}

李臻 ^{[1
]}

王芳 ^{[1
]}

陈静 ^{[1
]}

夏春谷 ^{[1
]}

机构：

[1] 中国科学院兰州化学物理研究所羰基合成与选择氧化国家重点实验室

[2] 中国科学院研究生院

来源：

分子催化 | 2012年 / 26卷 / 05期

关键词：

离子液体; 量子化学计算; 分子动力学模拟;

D O I：

10.16084/j.cnki.issn1001-3555.2012.05.006

中图分类号：

O645 [溶液];

学科分类号：

070305 [高分子化学与物理];

摘要：

<正>离子液体是由有机阳离子和无机/有机阴离子构成的盐类,一般在室温或接近于室温下呈液态,因此常被称为室温离子液体(RTIL).依据不同的划分标准,离子液体有多种分类方式:根据年代的不同可将离子液体分为第一代、第二代及第三代离子液体,例如:烷基咪唑和烷基吡啶的金属卤化物盐等[1];根据阳离子的不同可将离子液体分为季鏻

引用

页码：456 / 468+390 +390

页数：14

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