Mathematical Modeling of Self-Oscillations in Ethane Oxidation over Nickel Научная публикация
| Журнал |
Kinetics and Catalysis
ISSN: 0023-1584 , E-ISSN: 1608-3210 |
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| Вых. Данные | Год: 2016, Том: 57, Номер: 1, Страницы: 113-124 Страниц : 12 DOI: 10.1134/S0023158415060142 | ||||
| Ключевые слова | ethane, heterogeneous catalysis, mathematical modeling, nickel catalyst, oxidation, self-oscillations | ||||
| Авторы |
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| Организации |
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Информация о финансировании (2)
| 1 | Федеральное агентство научных организаций России | 81 |
| 2 | Совет по грантам Президента Российской Федерации | НШ-5340.2014.3 |
Реферат:
The methodology of constructing a phenomenological model for complex heterogeneous catalytic reactions is described in detail. The proposed approach is applicable to development of mathematical models describing the onset of self-oscillations in hydrocarbon oxidation on the transition metal surface. The approach is based on construction of a microkinetic scheme taking into account the formation of main reaction products and intermediates, on estimation of the heat of reaction, activation energy, and preexponential factor for elementary steps and includes development and a subsequent analysis of the corresponding mathematical model. Catalytic reactions are considered in the ideal adsorption layer approximation without taking into account the relationship between coverages and spatial coordinates. Accordingly, the mathematical model is an independent system of ordinary differential equations. This methodology is used to develop a point (lumped) model for ethane oxidation over nickel, which is based on a 36-step microkinetic scheme taking into account the oxidation and reduction of nickel and the formation of total (CO2 and H2O) or partial (CO and H2) ethane oxidation products, as well as the dehydrogenation of ethane into ethylene. The proposed model predicts the onset of self-oscillations in this reaction at atmospheric pressure in the temperature range from 850 to 1400 K. The kinetic oscillations are caused by the cyclic oxidation and reduction of nickel. The self-oscillations of the reaction rate are accompanied by oscillations of the catalyst temperature. The results of modeling are compared with experimental data.
Библиографическая ссылка:
Ustyugov V.V.
, Kaichev V.V.
, Lashina E.A.
, Chumakova N.A.
, Bukhtiyarov V.I.
Mathematical Modeling of Self-Oscillations in Ethane Oxidation over Nickel
Kinetics and Catalysis. 2016. V.57. N1. P.113-124. DOI: 10.1134/S0023158415060142 WOS Scopus РИНЦ CAPlus OpenAlex
Mathematical Modeling of Self-Oscillations in Ethane Oxidation over Nickel
Kinetics and Catalysis. 2016. V.57. N1. P.113-124. DOI: 10.1134/S0023158415060142 WOS Scopus РИНЦ CAPlus OpenAlex
Оригинальная:
Устюгов В.В.
, Каичев В.В.
, Лашина Е.А.
, Чумакова Н.А.
, Бухтияров В.И.
Математическое моделирование автоколебаний в реакции окисления этана на никеле
Кинетика и катализ. 2016. Т.57. №1. С.115-127. DOI: 10.7868/S0453881115060155 РИНЦ OpenAlex
Математическое моделирование автоколебаний в реакции окисления этана на никеле
Кинетика и катализ. 2016. Т.57. №1. С.115-127. DOI: 10.7868/S0453881115060155 РИНЦ OpenAlex
Даты:
| Поступила в редакцию: | 10 окт. 2014 г. |
| Опубликована в печати: | 1 янв. 2016 г. |
| Опубликована online: | 30 мар. 2016 г. |
Идентификаторы БД:
| Web of science: | WOS:000373228300014 |
| Scopus: | 2-s2.0-84962150111 |
| РИНЦ: | 27145585 |
| Chemical Abstracts: | 2016:506866 |
| OpenAlex: | W2332238964 |