García-Salaberri Pablo A, Zenyuk Iryna V
Department of Thermal and Fluids Engineering, Universidad Carlos III de Madrid, Leganés 28911, Spain.
Department of Chemical & Biomolecular Engineering, National Fuel Cell Research Center, University of California Irvine, Irvine, CA 92697, USA.
Heliyon. 2024 Feb 15;10(4):e26253. doi: 10.1016/j.heliyon.2024.e26253. eCollection 2024 Feb 29.
, a novel approach to model effective properties of thin porous media, TPM, is presented. The methodology allows the extraction of local effective property tensors by volume averaging from discrete pore networks, PNs, built on the tessellated continuum space of a TPM. The gradient theorem is used to describe 3D transport in bulk tessellated space, providing an appropriate metric to normalize network fluxes. Implemented effective transport properties include diffusivity, permeability, solid-phase conductivity, and entry capillary pressure and contact angle under two-phase conditions, considering multi-component materials with several solid phases and local contact resistances. Calculated property tensors can be saved on 3D image stacks, where interfacial and sub-CV scale features can be added before exporting data to CFD meshes for simulation. Overall, provides a general-purpose, versatile methodology for modeling TPM in an ample range of conditions within a single CFD framework. Among other advantages, coupling of PN and continuum models at TPM-channel interfaces is simplified, interfacial contact resistances can be included using robin boundary conditions, and transient multiphysics simulations can be implemented more easily using CFD. The code is tested against a miscellaneousness of examples extracted from electrochemical applications.
提出了一种模拟薄多孔介质(TPM)有效性质的新方法。该方法允许通过对基于TPM的镶嵌连续空间构建的离散孔隙网络(PN)进行体积平均来提取局部有效性质张量。梯度定理用于描述大块镶嵌空间中的三维传输,提供了一种归一化网络通量的合适度量。实现的有效传输性质包括扩散率、渗透率、固相电导率以及两相条件下的入口毛细管压力和接触角,考虑了具有多个固相和局部接触电阻的多组分材料。计算得到的性质张量可以保存在三维图像堆栈上,在将数据导出到CFD网格进行模拟之前,可以添加界面和子控制体积尺度特征。总体而言,在单个CFD框架内的广泛条件下,为模拟TPM提供了一种通用的、多功能的方法。除其他优点外,TPM通道界面处PN模型和连续介质模型的耦合得到简化,可以使用罗宾边界条件纳入界面接触电阻,并且使用CFD可以更轻松地实现瞬态多物理场模拟。该代码针对从电化学应用中提取的各种示例进行了测试。