Department of Engineering Mechanics and CNMM, Tsinghua University, Beijing, China.
Department of Engineering Mechanics and CNMM, Tsinghua University, Beijing, China.
J Colloid Interface Sci. 2018 Nov 1;529:214-223. doi: 10.1016/j.jcis.2018.05.111. Epub 2018 Jun 2.
Modeling of electro-chemo-mechanical transport phenomena in simple (nanochannel) or complex (nanoporous media) geometries with inhomogeneous surface charge and overlapped electric double layers remains challenging. This bottleneck originates from lack of a comprehensive model to predict the local surface charge density based on the variable local solution properties. This work aims to propose a model, so-called representative bulk layer (RBL), which makes the chemically non-isolated solid-liquid interfaces (due to the electric double layers interaction) as isolated interfaces by introducing a local effective bulk ion concentration. Using RBL together with the electrical triple layer model to provide boundary conditions for the multi-physio-chemical transport equations (PNP + NS), we investigate the reverse electrodialysis (RED) in nanochannels. Our modeling results indicate that the length of an ion-selective membrane not only influences the ionic current but also the logarithm of the slope of current-voltage curve increases linearly with the ratio of nanochannel length to height. This interesting finding inspires us to propose a dimensionless relation for the current-voltage curve that is independent of the nanochannel dimensions. The present contribution numerical framework could shed light on the electro-chemo-mechanical transport mechanism through nanofluidic devices and membranes.
在具有非均匀表面电荷和重叠电双层的简单(纳米通道)或复杂(纳米多孔介质)几何形状中,对电-化学-力学输运现象进行建模仍然具有挑战性。这一瓶颈源于缺乏一种全面的模型,无法根据局部溶液性质的变化来预测局部表面电荷密度。本工作旨在提出一种所谓的代表性体相层(RBL)模型,该模型通过引入局部有效体相离子浓度,使化学非隔离的固-液界面(由于电双层相互作用)成为隔离界面。使用 RBL 结合电三层模型为多物理化学输运方程(PNP+NS)提供边界条件,我们研究了纳米通道中的反向电渗析(RED)。我们的建模结果表明,离子选择性膜的长度不仅影响离子电流,而且电流-电压曲线的斜率的对数与纳米通道长度与高度的比值呈线性增加。这一有趣的发现启发我们提出了一种与纳米通道尺寸无关的无量纲电流-电压曲线关系。本工作提出的数值框架可以揭示通过纳米流控器件和膜的电-化学-力学输运机制。