Spillover in monomer–monomer reactions on supported catalysts: dynamic mean-field study

摘要

The kinetics of a A_1 + A_2 → A_1A_2 reaction on supported catalysts is investigated numerically using a phenomenological model which includes: the bulk diffusion of reactants from a bounded vessel towards the adsorbent and the product bulk one into the same vessel, adsorption and desorption of reactantsmolecules, and surface diffusion of adsorbed particles. The model is based on the Langmuir–Hinshelwood surface reaction mechanism coupled with the Eley–Rideal step. The model based only on the Langmuir–Hinshelwood mechanism is also studied. Simulations were performed using the finite difference technique. Three cases of reactants adsorption are considered: each reactant can adsorb on the active in reaction catalyst surface and inactive support, one of reactants adsorbs on the catalyst surface while the other one adsorbs on the support, both reactants adsorb only on the support. The surface diffusion and catalytic surface size influence on the catalytic reactivity of a supported catalyst is studied.