We present a versatile open-source pipeline for simulating inhomogeneous reaction-diffusion processes in highly resolved, image-based geometries of porous media with reactive boundaries. Resolving realistic pore-scale geometries in numerical models is challenging and computationally demanding, as the scale differences between the sizes of the interstitia and the whole system can lead to prohibitive memory requirements. The present pipeline combines a level-set method with geometry-adapted sparse block grids on GPUs to efficiently simulate reaction-diffusion processes in image-based geometries. We showcase the method by applying it to fertilizer diffusion in soil, heat transfer in porous ceramics, and determining effective diffusion coefficients and tortuosity. The present approach enables solving reaction-diffusion partial differential equations in real-world geometries applicable to porous media across fields such as engineering, environmental science, and biology.

翻译：我们提出了一种通用型开源管道，用于在高分辨率、基于图像的孔隙介质几何结构中模拟具有反应边界的不均匀反应-扩散过程。在数值模型中解析真实的孔隙尺度几何结构具有挑战性且计算成本高昂，因为孔隙间质尺寸与整体系统尺度间的差异可能导致极高的内存需求。本管道在GPU上结合水平集方法与几何自适应稀疏块网格，以高效模拟基于图像几何结构的反应-扩散过程。通过肥料在土壤中的扩散、多孔陶瓷中的热传导以及有效扩散系数与迂曲度的测定等案例，我们展示了该方法的应用效果。该方案能够求解工程学、环境科学和生物学等领域的多孔介质真实几何结构中的反应-扩散偏微分方程。