Molecular dynamics study of an electro-kinetic fluid transport in a charged nanochannel based on the role of the stern layer
Molecular dynamics study of an electro-kinetic fluid transport in a charged nanochannel based on the role of the stern layer
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DOI：
10.1016/j.physa.2015.01.043
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发表时间：
2015-05-15
影响因子：
3.3
通讯作者：
Toghraie, D.
中科院分区：
文献类型：
--
作者：
Rezaei, M.;Azimian, A. R.;Toghraie, D.
用分子动力学方法研究了NaCl水溶液的电渗流。这项工作的主要目的是研究电场和温度对流动特性的影响，考虑到船尾层的作用。通过增加任何提到的参数，电渗速度增长。结果表明，电渗流速度是电场的四阶函数，而电渗流速度与温度呈线性关系。发现EDL厚度的变化趋势类似。通过增加所研究的参数，观察到尾层容量的减少。在这种情况下，更多的移动离子位于扩散层中，这些离子正在拖动其他粒子。这是导致电渗速度增加的原因之一，这是以前的研究没有预测到的。在较高温度或较强电场的影响下，在较高的壁电荷下发生电荷反转现象。(C)2015 Elsevier B.V.版权所有。
Electro-osmotic flow of an aqueous solution of NaCl has been studied using the molecular dynamics simulation. The main objective of this work is to investigate the effects of the electric field and temperature on the flow properties considering the role of the stern layer. By increasing any of the mentioned parameters, the electro-osmotic velocity grows. It is found that the electro-osmotic velocity is a fourth order function of the electric field, while it changes linearly with temperature. Similar trends of change are found for the EDL thickness. By an increase in the studied parameters, a reduction in the stern layer capacity is observed. In this situation, more moving ions are located in the diffuse layer, which are dragging other particles. This is one of the causes that increase the electro-osmotic velocity, a matter which was not predicted by previous researches. A consequence of the stern layer capacity reduction is that in the systems under the influence of higher temperatures or stronger electric fields, charge inversion phenomenon occurs at higher wall charges. (C) 2015 Elsevier B.V. All rights reserved.