Coking and regeneration in single catalyst particles: An intra-particular approach by advanced experiments, mechanistic kinetics and adaptive pore network modeling

This project aims to elucidate the intricate coupling between reaction and transport phenomena during coking and regeneration in single catalyst particles through a combined experimental and model-based approach. It focuses on mechanistic kinetic modeling of propane dehydrogenation while explicitly accounting for coking, regeneration, and the transient structural changes of the pore network. By integrating advanced single-particle experiments, adaptive 3D pore network modeling, and pore-to-particle scale transition into continuum models, the project seeks to enable the rational design of more active, stable, and efficient catalyst supports.