Multiscale Computational Modeling of the Transport of Ionic Solutes in Electrically Charged Porous Media
Multiscale Modeling; Electrical Double-Layer Theory; Homozenization Theory, Finite Element Method; Effective Parameters; Permeability; Tortuosity.
In this work we present a multiscale computational modeling of the electrochemical coupling in electrically charged porous media. For this, considering the rigid and incompressible solid matrix, hydrodynamics and the transport of monovalent ionic solutes were modeled. At the nanoscopic scale, mathematical modeling was obtained considering electrical double-layer theory to obtain the Poisson-Boltzmann equation to quantify electric potential, electric charge density and electrochemical adsorption. The modeling at the microscale was given considering the Stokes equation for hydrodynamics and Nernst-Planck equations for the transport of the ionic solutes. The nano/micro equations are deduced on the macroscopic scale using the homogenization theory. With the macroscopic model with the respective microscopic equations, numerical simulations are obtained using the finite element multiscale method to quantify the effective parameters of the model given by the tensor permeability and vector field for tortuosity.