Abstract
A new mathematical model is proposed for the CO oxidation reaction in a thin granular catalyst layer. It describes processes on various spatial-temporal scales, including several levels of the reaction system. The model takes into account the flow of the reagents through the catalyst layer, diffusion in granule pores, reaction on the surface of metal clusters, the thermal effect of the reaction, and also heat and mass transport in the layer. The goal of the simulation is to elucidate the effect of various factors on system dynamics, including the rate of diffusion in the catalyst pores, the reagent flow rate, the temperature, the period of kinetic oscillations on the palladium surface, and other factors. The simulation identifies the conditions that are essential for satisfactory description of dynamical behavior on each level. It also establishes the role of each condition in the synchronization of oscillations and in the appearance of the experimentally observed chaotic modes.
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