The mathematical catalyst deactivation models: a mini review

Catalyst deactivation is a complex phenomenon and identifying an appropriate deactivation model is a key effort in the catalytic industry and plays a significant role in catalyst design. Accurate determination of the catalyst deactivation model is essential for optimizing the catalytic process. Different mechanisms of catalyst deactivation by coke and metal deposition lead to different deactivation models for catalyst activity decay. In the rigorous mathematical models of the reactors, the reaction kinetics were coupled with the deactivation kinetic equation to evaluate the product distribution with respect to conversion time. Finally, selective and nonselective deactivation kinetic models were designed to identify catalyst deactivation through the propagation of heterogeneous chemical reactions. Therefore, the present review discusses the catalyst deactivation models designed for CO2 hydrogenation, Fischer-Tropsch, biofuels and fossil fuels, which can facilitate the efforts to better represent the catalyst activities in various catalytic systems.

Automated summary

Catalyst deactivation is a complex phenomenon that requires the identification of an appropriate deactivation model, which plays a significant role in catalyst design and optimization of catalytic processes. Different mechanisms of catalyst deactivation by coke and metal deposition result in different deactivation models. Rigorous mathematical models coupling reaction kinetics with deactivation kinetic equations are used to evaluate product distribution over time. Selective and nonselective deactivation kinetic models are designed to understand catalyst deactivation through heterogeneous chemical reactions. This review focuses on catalyst deactivation models for CO2 hydrogenation, Fischer-Tropsch, biofuels, and fossil fuels, aiming to improve the representation of catalyst activities in various catalytic systems.