MULTIPLICITY AND OSCILLATIONS IN A MODEL FOR CATALYZED OXIDATION OF CARBON-MONOXIDE

Article

关键词: KINETIC PHASE-TRANSITIONS;    SURFACE-REACTION MODEL;    COMPETITIVE ADSORPTION;    CLOSURE APPROXIMATION;    CO;    SIMULATION;    PLATINUM;    STATES;   

DOI  :  10.1103/PhysRevB.49.14648

来源: SCIE

【 摘 要 】

We extend a model proposed for explaining multiplicity and oscillations of concentrations and temperature in catalyzed oxidation of carbon monoxide; the importance of the dimension of the system and the closure approximation applied to the results, and, especially to the oscillatory behavior, is analyzed. Kinetic phase transitions, namely, single state<-- --> multiplicity, single state<-- --> oscillations, and multiplicity<-- --> oscillations are found, depending on the reaction heat and the temperature relaxation parameter. Also, the role played by desorption of reactants is considered. When there is no desorption, temperature oscillations take place around room temperature, but if desorption is operative, oscillations occur about a higher temperature. For the one-dimensional case a spurious kinetic phase transition is obtained when the singlet closure approximation is applied.

【 授权许可】

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