Modeling of Ion Transport in a Three-Layer System with an Ion-Exchange Membrane Based on the Nernst–Planck and Displacement Current Equations

IF 2 Q4 CHEMISTRY, PHYSICAL Membranes and Membrane Technologies Pub Date : 2024-05-09 DOI:10.1134/s2517751624010074
A. M. Uzdenova
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Abstract

Modeling of ion transport in a three-layer system containing an ion-exchange membrane and two adjacent diffusion layers makes it possible to describe the permselectivity of the membrane by determining its fixed charge density. For theoretical analysis of ion transport in such systems, the Nernst–Planck and Poisson equations are widely used. The article shows that, in the galvanodynamic mode of operation of the membrane system when the density of the flowing current is specified, the Poisson equation in the ion transport model can be replaced by the equation for the displacement current. A new model is constructed in the form of a boundary value problem for the system of the Nernst–Planck and displacement current equations, based on which the concentrations of ions, electric field strength, space charge density, and chronopotentiogram of the ion-exchange membrane and adjacent diffusion layers in a direct current mode are numerically calculated. The calculation results of the proposed model are in a good agreement with the results of the modeling based on the previously described approach using the Nernst–Planck and Poisson equations as well as with the analytical assessment of the transition time. It is shown that, in the case of the three-layer geometry of the problem, the required accuracy of the numerical calculation using the proposed model is achieved with a smaller number of computational mesh elements and takes less (about 26.7-fold for the system parameters under consideration) processor time in comparison with the model based on the Nernst–Planck and Poisson equations.

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基于 Nernst-Planck 和位移电流方程的离子交换膜三层系统中的离子传输模型
摘要 在包含离子交换膜和两个相邻扩散层的三层系统中建立离子传输模型,可以通过确定膜的固定电荷密度来描述膜的永久选择性。在对这类系统中的离子传输进行理论分析时,广泛使用的是 Nernst-Planck 和 Poisson 方程。文章表明,在膜系统的电动力运行模式中,当流动电流密度被指定时,离子传输模型中的泊松方程可以被位移电流方程所取代。我们以内斯特-普朗克方程和位移电流方程系统的边界值问题形式构建了一个新模型,并在此基础上对直流模式下离子交换膜和相邻扩散层的离子浓度、电场强度、空间电荷密度和时变图进行了数值计算。所提议模型的计算结果与基于先前描述的方法(使用 Nernst-Planck 和 Poisson 方程)的建模结果以及过渡时间的分析评估结果非常一致。研究表明,在三层几何问题的情况下,与基于 Nernst-Planck 和 Poisson 方程的模型相比,使用所提出模型的数值计算只需较少的计算网格元素就能达到所需的精度,并且所需的处理器时间也较少(对于所考虑的系统参数,约为 26.7 倍)。
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来源期刊
CiteScore
3.10
自引率
31.20%
发文量
38
期刊介绍: The journal Membranes and Membrane Technologies publishes original research articles and reviews devoted to scientific research and technological advancements in the field of membranes and membrane technologies, including the following main topics:novel membrane materials and creation of highly efficient polymeric and inorganic membranes;hybrid membranes, nanocomposites, and nanostructured membranes;aqueous and nonaqueous filtration processes (micro-, ultra-, and nanofiltration; reverse osmosis);gas separation;electromembrane processes and fuel cells;membrane pervaporation and membrane distillation;membrane catalysis and membrane reactors;water desalination and wastewater treatment;hybrid membrane processes;membrane sensors;membrane extraction and membrane emulsification;mathematical simulation of porous structures and membrane separation processes;membrane characterization;membrane technologies in industry (energy, mineral extraction, pharmaceutics and medicine, chemistry and petroleum chemistry, food industry, and others);membranes and protection of environment (“green chemistry”).The journal has been published in Russian already for several years, English translations of the content used to be integrated in the journal Petroleum Chemistry. This journal is a split off with additional topics.
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