화학공학소재연구정보센터
Journal of Chemical Physics, Vol.121, No.7, 3206-3211, 2004
A cellular automaton for the modeling of oscillations in a surface reaction
The reaction of CO and O over a catalytic surface is studied with a cellular automata (CA) model. We extend the CA model proposed by Mai and von Niessen [Phys. Rev. A 44 R6165 (1991)] taking into account the variation of the temperature of the catalyst with the aim of analyzing the existence of oscillations in this reaction. The rate constants for different processes which govern the reaction are chosen in the Arrhenius form. Quasiperiodic, aperiodic, O-poisoned, and CO-poisoned regimes are observed depending on the temperature relaxation parameter. The results from the CA model presented are in agreement with several oscillatory behaviors which the catalyzed oxidation of CO exhibits. (C) 2004 American Institute of Physics.