Advances and Challenges in Speciation Measurement and Microkinetic Modeling for Gas–Solid Heterogeneous Catalysis

Microkinetic modeling of heterogeneous catalysis serves as an efficient tool bridging atom-scale first-principles calculations and macroscale industrial reactor simulations. Fundamental understanding of the microkinetic mechanism relies on a combination of experimental and theoretical studies. This Perspective presents an overview of the latest progress of experimental and microkinetic modeling approaches applied to gas-solid catalytic kinetics. Then, opportunities and challenges are presented based on recent research progress in gas-solid catalysis and combustion chemistry. For experimental approaches, the importance of ideal catalytic reactors, structured catalysts, and precise elementary rate measurements is emphasized. Additionally, integrating spatiotemporally resolved