Understanding of structures, dynamics, and hydrogen bonds of imidazolium-based ionic liquid mixture from molecular dynamics simulation

Xueping Wang,Fangjia Fu,Kuilin Peng,Zhen Yang,Na Hu,Xiangshu Chen,Wei Li

Chemical Physics（2019）

引用 13|浏览13

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摘要

•Alkyl chain has a less effect on the structure and association/dissociation behavior.•Cations with longer alkyl chain have more and stronger hydrogen bonds with anions.•Longer alkyl chains lead to slower diffusion and rotation of imidazolium cations.

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关键词

Hydrogen bond,Ionic liquid,Diffusion,Rotation,Alkyl chain

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