Moving From Fundamental Knowledge Of Kinetics And Mechanisms On Surfaces To Prediction Of Catalyst Performance In Reactors

Catalysis is defined by kinetics, but after over a century of catalyst development our kinetic and mechanistic knowledge governing real-world catalysis is still severely lacking. This Perspective considers how we can use the precise knowledge available from both theoretical and fundamental experimental techniques to understand and even predict catalytic performance under operational conditions. We describe advances that link fundamental and "real-world" measurements, crucial elements required to successfully recreate a reaction network, and avenues that appear to offer viable routes to success.