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Charge Transport in Nanochannels: A Molecular Theory

机译:纳米通道中的电荷传输:分子理论

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摘要

We introduce a theoretical and numerical method to investigate the flow of charged fluid mixtures under extreme confinement. We model the electrolyte solution as a ternary mixture, comprising two ionic species of opposite charge and a third uncharged component. The microscopic approach is based on kinetic theory and is fully self- consistent. It allows to determine configurational properties, such as layering near the confining walls, and the flow properties. We show that, under appropriate as- sumptions, the approach reproduces the phenomenological equations used to describe electrokinetic phenomena, without requiring the introduction of constitutive equations to determine the fluxes. Moreover, we model channels of arbitrary shape and nanometric roughness, features that have important repercussions on the transport properties of these systems
机译:我们介绍了一种理论和数值方法来研究极限约束下带电流体混合物的流动。我们将电解质溶液建模为三元混合物,包括两个带相反电荷的离子物种和第三个不带电组分。微观方法基于动力学理论,并且是完全自洽的。它允许确定配置属性,例如在约束壁附近的分层以及流动属性。我们表明,在适当的假设下,该方法可再现用于描述电动现象的现象学方程,而无需引入本构方程来确定通量。此外,我们对任意形状和纳米粗糙度的通道进行建模,这些通道的特征对这些系统的传输性能有重要影响

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