Effect of external static electric fields on the dynamic heterogeneity of ionic liquids

被引：8

作者：

Sang, Ge ^{[1
]}

Ren, Gan ^{[2
]}

机构：

[1] Sci & Technol Surface Phys & Chem Lab, Jiangyou, Peoples R China

[2] Civil Aviat Flight Univ China, Dept Phys, Guanghan, Peoples R China

来源：

JOURNAL OF MOLECULAR MODELING | 2018年 / 24卷 / 09期

基金：

中国国家自然科学基金;

关键词：

Ionic liquids; Dynamic heterogeneity; Electric field; Molecular dynamics; Decoupling of diffusion and relaxation; SPATIAL HETEROGENEITY; STOKES-EINSTEIN; LENGTH SCALE; SOLVATION; FLUORESCENCE; DIFFUSION; SOLVENTS; GROMACS;

D O I：

10.1007/s00894-018-3773-x

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

Ionic liquids (ILs) exhibit behavior analogous to supercooled liquids at room or even higher temperatures. ILs usually work under an externally applied static electric field (E). In this work, molecular dynamics simulations were performed with 1-ethyl-3-methyl-imidazolium tetrafluorborate ([EMI+][BF4-]) under E, with the aim of discovering the influence of E on the dynamic heterogeneity of ILs. ILs show more homogeneous dynamics with increasing E, as indicated by non-Gaussian parameters and dynamic susceptibility. The dynamic heterogeneity is greater in the E direction than that in the perpendicular directions under the same E. Despite the dynamic heterogeneity, only a small decoupling between diffusion and relaxation is observed under E.

引用

页数：7

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