Cellular automata (CA) rules for a model surface reaction with Eley-Rideal step (exemplifying CO oxidation) have been formulated. The CA simulations corroborate the earlier known Monte Carlo (MC) simulation results and show qualitative and near quantitative resemblance. The results are analyzed and
β¦ LIBER β¦
A catalytic surface reaction model
β Scribed by Maury Bramson; Claudia Neuhauser
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 572 KB
- Volume
- 40
- Category
- Article
- ISSN
- 0377-0427
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An extended Hall function in exponential basis functions is fit to the w x accurate potential energy surface for HCN | CNH of Murrell et al. 3 and accounts for the linear initial and final states and for the triangular transition state. Reasonable values were also found for the molecular vibrational