Sreekumar, P. ; Jayaraman, V. K. ; Kulkarni, B. D. (1998) Monte carlo and cellular automata modeling of CO oxidation on a catalytic surface including the eley-rideal step and CO diffusion Industrial & Engineering Chemistry Research, 37 (6). pp. 2188-2192. ISSN 0888-5885
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Official URL: http://pubs.acs.org/doi/abs/10.1021/ie9705261
Related URL: http://dx.doi.org/10.1021/ie9705261
Abstract
We present the results of cellular automaton and Monte Carlo simulations for the case of CO oxidation on a catalytic surface with simultaneous adsorption, reaction, and diffusion, including the Eley-Rideal step in the reaction mechanism. The results show that the carbon monoxide diffusion on the catalytic surface does not alter the qualitative nature of phase transitions. Also for any given adsorption to diffusion ratio the cellular automaton predicts slightly lower values of the phase transition point. The automaton has considerable speed advantage and corroborates the Monte Carlo simulation results.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Chemical Society. |
| ID Code: | 17346 |
| Deposited On: | 16 Nov 2010 08:10 |
| Last Modified: | 06 Jun 2011 09:29 |
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