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One- and Two-Equation Models to Simulate Ion Transport in Charged Porous Electrodes

机译:一和二方程模型模拟带电多孔电极中的离子迁移

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Energy storage in porous capacitor materials, capacitive deionization (CDI) for water desalination, capacitive energy generation, geophysical applications, and removal of heavy ions from wastewater streams are some examples of processes where understanding of ionic transport processes in charged porous media is very important. In this work, one- and two-equation models are derived to simulate ionic transport processes in heterogeneous porous media comprising two different pore sizes. It is based on a theory for capacitive charging by ideally polarizable porous electrodes without Faradaic reactions or specific adsorption of ions. A two-step volume averaging technique is used to derive the averaged transport equations for multi-ionic systems without any further assumptions, such as thin electrical double layers or Donnan equilibrium. A comparison between both models is presented. The effective transport parameters for isotropic porous media are calculated by solving the corresponding closure problems. An approximate analytical procedure is proposed to solve the closure problems. Numerical and theoretical calculations show that the approximate analytical procedure yields adequate solutions. A theoretical analysis shows that the value of interphase pseudo-transport coefficients determines which model to use.
机译:多孔电容器材料中的能量存储,用于水脱盐的电容性去离子(CDI),电容性能量产生,地球物理应用以及从废水流中去除重离子是其中对了解带电多孔介质中离子传输过程非常重要的过程的一些示例。在这项工作中,推导了一方程和两方程模型来模拟包含两个不同孔径的非均质多孔介质中的离子迁移过程。它基于通过理想极化的多孔电极进行电容充电的理论,而无需进行法拉第反应或离子的特定吸附。使用两步体积平均技术来导出多离子系统的平均输运方程,而无需进一步假设,例如双电层薄或Donnan平衡。提出了两个模型之间的比较。各向同性多孔介质的有效传输参数通过解决相应的封闭问题来计算。提出了一种近似的分析程序来解决封闭问题。数值和理论计算表明,近似分析程序可得出适当的解。理论分析表明,相间伪传输系数的值决定了使用哪种模型。

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