Trigger Mechanism of Self-Oscillations and Effect of Molecule Self-Organization in the Course of Monte Carlo Modeling of a Bimolecular Catalytic Reaction Full article
Journal |
Journal of Catalysis
ISSN: 0021-9517 , E-ISSN: 1090-2694 |
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Output data | Year: 1993, Volume: 142, Number: 1, Pages: 198-205 Pages count : 8 DOI: 10.1006/jcat.1993.1201 | ||||||
Tags | SURFACE-REACTION MODEL; CO-OXIDATION; KINETIC OSCILLATIONS; CARBON-MONOXIDE; HETEROGENEOUS CATALYSIS; SUSTAINED OSCILLATIONS; COMPUTER-SIMULATIONS; PHASE-TRANSITIONS; BEHAVIOR; PLATINUM | ||||||
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Abstract:
In the Ziff, Gulari, and Barshad (ZGB) model of the catalytic reaction 2A + B2 = 2AB, we have investigated by Monte Carlo (MC) simulation oscillatory kinetics and spatial-temporal self-organization caused by jumpswise variations in the catalytic properties of the surface. The following conditions were used. The adsorbed B2 particles did not dissociate and did not react until A-coverage was less than the critical coverage Θkr A. When, however, A-coverage reached Θkr A the adsorbed B2 particles dissociated instantly into B particles and reacted with the adjacent A particles. It has been found that in a certain region of YA (a ratio of partial pressures of A and B2 in the gas phase) oscillatory kinetics is controlled mainly by one compact cluster of A particles. We have established the specific mechanism of A-clusterization. We found also that in a certain region of YA our stochastic system demonstrates a route to chaos which is very similar to "intermittency" (P. Manneville and Y. Pomeau scenario).
Cite:
Lutsevich L.V.
, Elokhin V.I.
, Ragozinskii S.V.
, Yablonskii G.S.
Trigger Mechanism of Self-Oscillations and Effect of Molecule Self-Organization in the Course of Monte Carlo Modeling of a Bimolecular Catalytic Reaction
Journal of Catalysis. 1993. V.142. N1. P.198-205. DOI: 10.1006/jcat.1993.1201 WOS Scopus РИНЦ
Trigger Mechanism of Self-Oscillations and Effect of Molecule Self-Organization in the Course of Monte Carlo Modeling of a Bimolecular Catalytic Reaction
Journal of Catalysis. 1993. V.142. N1. P.198-205. DOI: 10.1006/jcat.1993.1201 WOS Scopus РИНЦ
Dates:
Submitted: | May 14, 1991 |
Accepted: | Mar 8, 1993 |
Published print: | Jul 1, 1993 |
Published online: | May 25, 2002 |
Identifiers:
Web of science | WOS:A1993LJ35900018 |
Scopus | 2-s2.0-0040868960 |
Elibrary | 31102356 |
Chemical Abstracts | 1993:547414 |
Chemical Abstracts (print) | 119:147414 |
OpenAlex | W2027286933 |