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Numerical modeling of ion transport and adsorption in porous media: A pore-scale study for capacitive deionization desalination
Desalination ( IF 9.9 ) Pub Date : 2022-01-05 , DOI: 10.1016/j.desal.2021.115520
Min Liu 1 , John Waugh 2, 3 , Siddharth Komini Babu 2 , Jacob S. Spendelow 2 , Qinjun Kang 1
Affiliation  

A pore-scale model is presented to simulate the dynamic ion transport and adsorption processes in porous electrodes used for capacitive deionization (CDI). The Stokes equation governing water flow is solved using the lattice Boltzmann method and Nernst-Planck equation describing ion transport is solved using the finite volume method. The ion adsorption process is considered at the surface of carbon electrodes. After validation against analytical solutions and published results, the model is used to study the coupled water flow, ion transport and adsorption in both two-dimensional and three-dimensional porous CDI electrodes at the pore scale. The effect of electrode microstructure, electrical potential and flow velocity on the adsorption processes is quantitatively investigated, and the relative importance of various parameters is determined. The presented model can be a powerful numerical tool to quantitatively analyze ion transport and adsorption in porous electrodes, and may provide useful information for the design and optimization of CDI electrodes and operating conditions for desired desalination efficiency, water throughput and cost.



中文翻译:

多孔介质中离子传输和吸附的数值模拟:电容去离子脱盐的孔隙尺度研究

提出了一个孔隙尺度模型来模拟用于电容去离子 (CDI) 的多孔电极中的动态离子传输和吸附过程。控制水流的斯托克斯方程使用格子 Boltzmann 方法求解,描述离子传输的 Nernst-Planck 方程使用有限体积方法求解。考虑了碳电极表面的离子吸附过程。在针对解析解和已发表的结果进行验证后,该模型用于研究二维和三维多孔 CDI 电极在孔隙尺度上的耦合水流、离子传输和吸附。定量研究了电极微观结构、电位和流速对吸附过程的影响,并确定了各种参数的相对重要性。

更新日期:2022-01-05
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