期刊
CHEMICAL PHYSICS LETTERS
卷 608, 期 -, 页码 366-372出版社
ELSEVIER
DOI: 10.1016/j.cplett.2014.03.008
关键词
-
资金
- National High Technology Research and Development Program of China (863 Program) [2009AA05Z436]
- National Basic Research Program (973 Program) [2007CB714304]
Understanding the interacting mechanism between ionic liquids (ILs) and solute molecules is important for the application of ILs in separation processes. The interactions between a series of solutes (water, ethanol, propylene, propyne, heptane, and toluene) and the anion/cation/ion pair of 1,3-dimethylimidazolium methylsulfate ([DMIM][MS]) were studied using one-to-one complex by quantum chemical calculations. The calculated results show that the H-bond between the anion and solutes is the dominant factor in determining the interaction between the IL and solutes. Furthermore, the relationship between the calculated electronic characteristics and experimentally observed behavior is also discussed. (C) 2014 Elsevier B.V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据