Simulation of methane oxidation on Pt.
J Chem Phys
; 126(23): 234705, 2007 Jun 21.
Article
in En
| MEDLINE
| ID: mdl-17600433
ABSTRACT
The authors present a generic model of CH4 oxidation on Pt with the emphasis on the role of surface-oxide formation. The latter process is treated in terms of the theory of first-order phase transitions. The corresponding Monte Carlo simulations indicate that the surface-oxide formation may result in stepwise features in the reaction kinetics. Specifically, with increasing CH4 pressure and/or decreasing O2 pressure, the model predicts a sharp transition from a low-reactive state with the surface completely covered by oxide to a high-reactive state with the surface covered by chemisorbed oxygen. In the former case, the reaction is first order in CH4 and zero order in O2. In the latter case, both reaction orders are positive. All these findings help in interpreting available experiments.
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Collection:
01-internacional
Database:
MEDLINE
Type of study:
Prognostic_studies
Language:
En
Journal:
J Chem Phys
Year:
2007
Document type:
Article
Affiliation country:
Suecia