Multiscale Modelling of Transport, Reaction and Phase Change in Heterogeneous Media

Abstract

Methodology for the modelling of transport (convection, diffusion, heat conduction), reaction, and phase transformation processes in spatially complex heterogeneous media is reviewed and demonstrated on several application examples, including computer simulations of polymer particle growth and fragmentation, modelling of reaction and diffusion in a catalyst washcoat, and drying of solvent from a static granular bed. The commonalities and differences between each application are discussed, and perspectives on future research directions in multi-scale modelling are provided.