Monte-Carlo Methods for Simulating the Catalytic Oxidative Dehydrogenation of Propane over VMgO Catalyst Full article
Conference |
3 International conference on unsteady-state processes in catalysis 30 Jun - 3 Jul 1998 , St. Petersburg |
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Journal |
Chemical Engineering Science
ISSN: 0009-2509 , E-ISSN: 1873-4405 |
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Output data | Year: 1999, Volume: 54, Number: 20, Pages: 4295-4304 Pages count : 10 DOI: 10.1016/S0009-2509(99)00147-5 | ||||||
Tags | Mars-Van Krevelen mechanism, Monte-Carlo simulations, Oxidative dehydrogenation of propane, Pattern recognition, VMgO catalyst | ||||||
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Abstract:
The oxidative dehydrogenation of propane (ODHP) has been extensively studied by non-steady-state kinetic experiments and by various experimental characterization techniques under conditions as close as possible to reaction conditions. It can be described in terms of the Mars–Van Krevelen mechanism. This work reports on Monte-Carlo simulations of the ODHP over VMgO catalysts, aimed at relating the main experimental insights obtained previously on the catalytic reaction to a theoretical description of the working catalyst. The “theoretical field of catalysis” is explored by handling new Monte-Carlo models with a catalytic reaction graph, 2D pattern recognition of adsorbed molecules, 3D oxygen bulk diffusion and finally the description of the selective, non-selective routes of the ODHP process.
Cite:
Boudeville Y.
, Kolb M.
, Pantazidis A.
, Marquez-Alvarez C.
, Mirodatos C.
, Elokhin V.
Monte-Carlo Methods for Simulating the Catalytic Oxidative Dehydrogenation of Propane over VMgO Catalyst
Chemical Engineering Science. 1999. V.54. N20. P.4295-4304. DOI: 10.1016/S0009-2509(99)00147-5 WOS Scopus РИНЦ
Monte-Carlo Methods for Simulating the Catalytic Oxidative Dehydrogenation of Propane over VMgO Catalyst
Chemical Engineering Science. 1999. V.54. N20. P.4295-4304. DOI: 10.1016/S0009-2509(99)00147-5 WOS Scopus РИНЦ
Dates:
Published online: | Jul 15, 1999 |
Published print: | Oct 1, 1999 |
Identifiers:
Web of science | WOS:000081864700002 |
Scopus | 2-s2.0-0032586623 |
Elibrary | 13311357 |
Chemical Abstracts | 1999:511959 |
Chemical Abstracts (print) | 131:242891 |
OpenAlex | W1990723811 |