Simulation of Methane Oxidation on Pt Научная публикация
Журнал |
Journal of Chemical Physics
ISSN: 0021-9606 , E-ISSN: 1089-7690 |
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Вых. Данные | Год: 2007, Том: 126, Номер: 23, Страницы: 234705 Страниц : 6 DOI: 10.1063/1.2743403 | ||||
Ключевые слова | Chemisorption; Computer simulation; Oxidation; Phase transitions; Platinum; Reaction kinetics | ||||
Авторы |
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Организации |
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Информация о финансировании (1)
1 | Chalmers University of Technology |
Реферат:
The authors present a generic model of CH4CH4 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 CH4CH4 pressure and/or decreasing O2O2 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 CH4CH4 and zero order in O2O2. In the latter case, both reaction orders are positive. All these findings help in interpreting available experiments.
Библиографическая ссылка:
Zhdanov V.P.
, Carlsson P.-A.
, Kasemo B.
Simulation of Methane Oxidation on Pt
Journal of Chemical Physics. 2007. V.126. N23. P.234705. DOI: 10.1063/1.2743403 WOS Scopus РИНЦ
Simulation of Methane Oxidation on Pt
Journal of Chemical Physics. 2007. V.126. N23. P.234705. DOI: 10.1063/1.2743403 WOS Scopus РИНЦ
Файлы:
Полный текст от издателя
Даты:
Поступила в редакцию: | 12 мар. 2007 г. |
Принята к публикации: | 25 апр. 2007 г. |
Опубликована online: | 18 июн. 2007 г. |
Опубликована в печати: | 21 июн. 2007 г. |
Идентификаторы БД:
Web of science | WOS:000247469100037 |
Scopus | 2-s2.0-34547281302 |
РИНЦ | 13550870 |
Chemical Abstracts | 2007:719177 |
Chemical Abstracts (print) | 147:308928 |
OpenAlex | W1968358945 |