The Kinetic Model of Diffusion and Reactions in Powder Catalysts during Temperature Programmed Oxygen Isotopic Exchange Process

The mathematical model of diffusion in powder oxide catalysts during the process of temperature programmed oxygen isotopic exchange is proposed. The diffusion is considered together with the homogeneous and heterogeneous oxygen isotopic exchange processes. The matrix forms of exchange rate equations of simple and complex heteroexchange, and homoexchange reactions which obtain symmetrical forms are analyzed. The quantitative values of model parameters are found from the fitting of experimental data taken from literature of temperature programmed oxygen isotopic exchange process in catalysts ZrO2 and CeO2. The fittings show a good matching of model results with experimental data. The shapes of kinetic curves registered during temperature programmed oxygen isotopic exchange process are analyzed and the influence of various process parameters such as activation energies of simple and complex heteroexchange, oxygen surface concentration of catalyst, ratio of catalysts surface and volume of reactor, diffusion activation energy is considered. The depth profiles of diffusing oxygen species in oxide catalysts powder are calculated.

Automated summary

This paper proposes a mathematical model for the diffusion of powder oxide catalysts in the process of temperature programmed oxygen isotopic exchange, and fits model parameters quantitatively using experimental data. It analyzes the shapes of kinetic curves during the exchange process and considers the influence of various process parameters on the reaction.