Numerical Modeling Study of Catalyst Surface Reactivity and Gas Diffusivity with Lean NOx Catalyst
Catalyst simulation, which can analyze the complicated reaction pathway of exhaust gas purifications and identify the rate-determining step, is an essential tool in the development of catalyst materials. This requires an elementary reaction model which describes the detailed processes, i.e. adsorption, decomposition, and others. In our previous work, the elementary reaction model on Pt/CeO2 catalyst was constructed. In this study, we focused on extending the Zeolite catalyst and including the gas diffusivity through the catalyst layer. The reaction rate of a Zeolite catalyst was expressed by an Arrhenius equation, and the elementary reaction model was composed of 17 reactions. Each Arrhenius parameter was optimized by the catalytic activity measurements. The constructed model was validated with NOx conversion in cyclic experiments which were repeated with Lean phase (NOx adsorption) and Rich phase (NOx reduction).