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首页> 外文期刊>Transport in Porous Media >A Two-Scale Model for Coupled Electro-Chemo-Mechanical Phenomena and Onsager's Reciprocity Relations in Expansive Clays: Ⅱ Computational Validation
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A Two-Scale Model for Coupled Electro-Chemo-Mechanical Phenomena and Onsager's Reciprocity Relations in Expansive Clays: Ⅱ Computational Validation

机译:膨胀黏土中电-化学-机械耦合和Onsager互易关系的两尺度模型:Ⅱ计算验证

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摘要

In Part I Moyne and Murad [Transport in Porous Media 62, (2006), 333-380] a two-scale model of coupled electro-chemo-mechanical phenomena in swelling porous media was derived by a formal asymptotic homogenization analysis. The microscopic portrait of the model consists of a two-phase system composed of an electrolyte solution and colloidal clay particles. The movement of the liquid at the microscale is ruled by the modified Stokes problem; the advection, diffusion and electro-migration of monovalent ions Na~+ and Cl~- are governed by the Nernst-Planck equations and the local electric potential distribution is dictated by the Poisson problem. The microscopic governing equations in the fluid domain are coupled with the elasticity problem for the clay particles through boundary conditions on the solid-fluid interface. The up-scaling procedure led to a macroscopic model based on Onsager's reciprocity relations coupled with a modified form of Terzaghi's effective stress principle including an additional swelling stress component. A notable consequence of the two-scale framework are the new closure problems derived for the macroscopic electro-chemo-mechanical parameters. Such local representation bridge the gap between the macroscopic Thermodynamics of Irreversible Processes and microscopic Electro-Hydrodynamics by establishing a direct correlation between the magnitude of the effective properties and the electrical double layer potential, whose local distribution is governed by a microscale Poisson-Boltzmann equation. The purpose of this paper is to validate computationally the two-scale model and to introduce new concepts inherent to the problem considering a particular form of microstructure wherein the clay fabric is composed of parallel particles of face-to-face contact. By discretizing the local Poisson-Boltzmann equation and solving numerically the closure problems, the constitutive behavior of the diffusion coefficients of cations and anions, chemico-osmotic and electro-osmotic conductivities in Darcy's law, Onsager's parameters, swelling pressure, electrochemical compressibility, surface tension, primary/secondary electroviscous effects and the reflection coefficient are computed for a range particle distances and sat concentrations.
机译:在第一部分Moyne和Murad [多孔介质中的运输62,(2006),333-380]中,通过正式的渐近均匀化分析,得出了膨胀多孔介质中耦合的电-化学-机械现象的两尺度模型。该模型的微观画像由电解质溶液和胶体粘土颗粒组成的两相系统组成。液体在微观尺度上的运动是由修正的斯托克斯问题决定的。一价离子Na〜+和Cl〜-的平流,扩散和电迁移受Nernst-Planck方程控制,局部电势分布由泊松问题决定。通过固-液界面上的边界条件,流体域中的微观控制方程与黏土颗粒的弹性问题耦合。放大过程导致了一个基于Onsager互惠关系的宏观模型,并结合了Terzaghi有效应力原理的改进形式,其中包括附加的膨胀应力分量。两尺度框架的显着结果是为宏观电化学化学机械参数得出了新的闭合问题。通过在有效性质的大小和双层电势之间建立直接的相关性,这种局部表示弥合了不可逆过程的宏观热力学和微观电液动力学之间的差距,双层电势的局部分布由微尺度的Poisson-Boltzmann方程控制。本文的目的是在计算上验证两尺度模型,并考虑微观结构的特定形式引入问题固有的新概念,其中粘土织物由面对面接触的平行颗粒组成。通过离散局部Poisson-Boltzmann方程并数值求解闭合问题,以达西定律,阳离子和电导率,达沙定律,Onsager参数,溶胀压力,电化学可压缩性,表面张力的阳离子和阴离子扩散系数的本构行为对于一定范围的粒子距离和饱和浓度,计算一次/二次电粘性效应和反射系数。

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