Modelling the Kinetics of Heterogeneously Catalysed Reactions

This lecture by the instructor focuses on the predictive power of modelling the kinetics of heterogeneously catalysed reactions at low computational cost. It covers topics such as micro-kinetic modelling, the Kinetic Monte Carlo approach, titration experiments, lattice structure, elementary events, and benchmarking different systems. The lecture also discusses the importance of accurate catalytic kinetic models, the impact of lateral interactions on reaction kinetics, and the development of efficient approximations to Kinetic Monte Carlo simulations. Lessons learned include the necessity of precise models and the successful convergence of coarse-grained models with simulation data.