Abstract
A new point model is proposed for the oxidation reaction of CO on the surface of a Pd cluster. The model reflects the oxidation–reduction mechanism on the palladium surface and incorporates all the stages of the kinetic scheme from the previous three-component model. A new assumption based on a series of experimental facts claims that the adsorbed oxygen atoms may diffuse into deeper-lying layers of the crystal lattice and thus influence the processes in the adsorption layer due to the micro size of the palladium clusters. The new point system has been built into the distributed general model for a granular catalyst developed previously. As a result, for parameter values corresponding to experimental conditions we have managed for the first time to obtain a wide region of chaos and complex mixed modes, close to those observed in real experiments.
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Kurkina, E.S., Tolstunova, E.D. Modeling the Oscillations of the CO + O2 Reaction Rate in a Granular Catalyst Layer. Computational Mathematics and Modeling 12, 252–261 (2001). https://doi.org/10.1023/A:1012597407286
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DOI: https://doi.org/10.1023/A:1012597407286