Translational Dynamics of Imidazolium-Based Ionic Liquids in Acetonitrile Solutions

IF 1.2 4区化学 Q4 CHEMISTRY, PHYSICAL

Physics and Chemistry of Liquids Pub Date : 2023-04-19 DOI:10.3390/liquids3020015

F. Demmel, W. Howells

引用次数: 0

Abstract

The dynamics of pure ionic liquids and solutions with acetonitrile have been investigated through quasielastic neutron scattering (QENS). The translational diffusive motion of the 1-butyl-3-methyl-imidazolium cation was revealed as a function of concentration and temperature. The diffusion coefficients obtained are in reasonably good agreement with molecular dynamics (MD) computer simulations based on a classical potential. The diffusive mobility of the cation dramatically increases when adding acetonitrile. This increase in diffusivity is directly related to a maximum in conductivity of these ionic liquid solutions and might pave the way for new design of electrolytes. The translational motions in pure ionic liquids are too slow to be resolved by our experiment. However, localized motion resembling rotation on a sphere of the measured proton signal could be identified in the pure ionic liquids.

查看原文本刊更多论文

咪唑基离子液体在乙腈溶液中的平移动力学

用准弹性中子散射(QENS)研究了纯离子液体和含乙腈溶液的动力学。揭示了1-丁基-3-甲基咪唑阳离子的平移扩散运动是浓度和温度的函数。得到的扩散系数与基于经典势的分子动力学(MD)计算机模拟结果相当吻合。当加入乙腈时，阳离子的扩散迁移率显著提高。这种扩散率的增加与离子液体溶液的最大电导率直接相关，并可能为新电解质的设计铺平道路。纯离子液体中的平移运动太慢，我们的实验无法解决。然而，在纯离子液体中，可以识别出类似于测量质子信号在球体上旋转的局部运动。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

Physics and Chemistry of Liquids 化学-物理：凝聚态物理

CiteScore

3.30

自引率

8.30%

发文量

审稿时长

6-12 weeks

期刊介绍： Physics and Chemistry of Liquids publishes experimental and theoretical papers, letters and reviews aimed at furthering the understanding of the liquid state. The coverage embraces the whole spectrum of liquids, from simple monatomic liquids and their mixtures, through charged liquids (e.g. ionic melts, liquid metals and their alloys, ions in aqueous solution, and metal-electrolyte systems) to molecular liquids of all kinds. It also covers quantum fluids and superfluids, such as Fermi and non-Fermi liquids, superconductors, Bose-Einstein condensates, correlated electron or spin assemblies. By publishing papers on physical aspects of the liquid state as well as those with a mainly chemical focus, Physics and Chemistry of Liquids provides a medium for the publication of interdisciplinary papers on liquids serving its broad international readership of physicists and chemists.