In this paper, we present a framework for the modeling and simulation of a subset of physical/chemical processes occurring on different spatial and temporal scales in porous materials. In order to improve our understanding of such processes on multiple spatio-temporal scales, small-scale simulations of transport and reaction are of vital importance. Due to the geometric complexity of the pore space and the need to consider a representative elementary volume, such simulations require substantial numerical resolutions, leading to potentially huge computation times. An efficient parallelization of such numerical methods is thus vital to obtain results in acceptable wall-clock time. The goal of this paper was to improve available approaches based on lattice Boltzmann methods (LBMs) to reliably and accurately predict the combined effects of mass transport and reaction in porous media. To this end, we relied on the factorized central moment LBM as a second-order accurate approach for modeling transport. In order to include morphological changes due to the dissolution of the solid phase, the volume of fluid method with the piece-wise linear interface construction algorithm was employed. These developments are being integrated into the LBM research code VirtualFluids. After the validation of the analytic test cases, we present an application of diffusion-controlled dissolution for a pore space obtained from computer tomography (CT) scans.

We propose and validate a method to find an implicit representation of a surface placed at a distance h from another implicit surface. With two such surfaces on either side of the original surface, a volumetric shell of predefined thickness can be obtained. The usability of the proposed method is demonstrated through providing solid models of triply periodic minimal surface (TPMS) geometries with a predefined constant and variable thickness. The method has an adjustable order of convergence. If applied to surfaces with spatially varying thickness, the convergence order is limited to second order. This accuracy is still substantially higher than the accuracy of any contemporary 3D printer that could benefit from the function as an infill volume for shells with predefined thicknesses.

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