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离子液体中的电动学建模。

Modeling electrokinetics in ionic liquids.

作者信息

Wang Chao, Bao Jie, Pan Wenxiao, Sun Xin

机构信息

Physical and Computational Science Directorate, Pacific Northwest National Laboratory, Richland, WA, USA.

Energy and Environment Directorate, Pacific Northwest National Laboratory, Richland, WA, USA.

出版信息

Electrophoresis. 2017 Jul;38(13-14):1693-1705. doi: 10.1002/elps.201600455. Epub 2017 Apr 7.

Abstract

Using direct numerical simulations, we provide a thorough study regarding the electrokinetics of ionic liquids. In particular, modified Poisson-Nernst-Planck equations are solved to capture the crowding and overscreening effects characteristic of an ionic liquid. For modeling electrokinetic flows in an ionic liquid, the modified Poisson-Nernst-Planck equations are coupled with Navier-Stokes equations to study the coupling of ion transport, hydrodynamics, and electrostatic forces. Specifically, we consider the ion transport between two parallel charged surfaces, charging dynamics in a nanopore, capacitance of electric double-layer capacitors, electroosmotic flow in a nanochannel, electroconvective instability on a plane ion-selective surface, and electroconvective flow on a curved ion-selective surface. We also discuss how crowding and overscreening and their interplay affect the electrokinetic behaviors of ionic liquids in these application problems.

摘要

通过直接数值模拟,我们对离子液体的动电现象进行了全面研究。具体而言,求解修正的泊松-能斯特-普朗克方程以捕捉离子液体特有的拥挤和过屏蔽效应。为了模拟离子液体中的电动流动,将修正的泊松-能斯特-普朗克方程与纳维-斯托克斯方程耦合,以研究离子传输、流体动力学和静电力的耦合。具体来说,我们考虑了两个平行带电表面之间的离子传输、纳米孔中的充电动力学、双电层电容器的电容、纳米通道中的电渗流、平面离子选择性表面上的电对流不稳定性以及弯曲离子选择性表面上的电对流流动。我们还讨论了拥挤和过屏蔽及其相互作用如何影响这些应用问题中离子液体的电动行为。

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