Monte-Carlo Methods for Simulating the Catalytic Oxidative Dehydrogenation of Propane over VMgO Catalyst Научная публикация
Конференция |
3 International conference on unsteady-state processes in catalysis 30 июн. - 3 июл. 1998 , St. Petersburg |
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Журнал |
Chemical Engineering Science
ISSN: 0009-2509 , E-ISSN: 1873-4405 |
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Вых. Данные | Год: 1999, Том: 54, Номер: 20, Страницы: 4295-4304 Страниц : 10 DOI: 10.1016/S0009-2509(99)00147-5 | ||||||
Ключевые слова | Mars-Van Krevelen mechanism, Monte-Carlo simulations, Oxidative dehydrogenation of propane, Pattern recognition, VMgO catalyst | ||||||
Авторы |
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Организации |
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Реферат:
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.
Библиографическая ссылка:
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
Даты:
Опубликована online: | 15 июл. 1999 г. |
Опубликована в печати: | 1 окт. 1999 г. |
Идентификаторы БД:
Web of science | WOS:000081864700002 |
Scopus | 2-s2.0-0032586623 |
РИНЦ | 13311357 |
Chemical Abstracts | 1999:511959 |
Chemical Abstracts (print) | 131:242891 |
OpenAlex | W1990723811 |