Dynamic monte carlo simulations of catal
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R. Kissel-Osterrieder; F. Behrendt; J. Warnatz
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Article
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2000
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Elsevier Science
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English
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A general-purpose program for dynamic Monte Carlo (DMC) simulations of catalytic surface reactions has been developed. The stochastic model is based on the master equation. Inputs for the program are the catalytic surface, the adsorbates, the elementary reaction steps, and the adsorbate-adsorbate in