Thermochemical parameters and rate constants of the reactions Fe + O2 + M ↔ FeO2 + M and FeO + O2 ↔ FeO2 + O Научная публикация
| Журнал |
Kinetics and Catalysis
ISSN: 0023-1584 , E-ISSN: 1608-3210 |
||
|---|---|---|---|
| Вых. Данные | Год: 2012, Том: 53, Номер: 5, Страницы: 543-553 Страниц : 11 DOI: 10.1134/S0023158412050138 | ||
| Авторы |
|
||
| Организации |
|
Реферат:
The thermochemical and kinetic characteristics of the reactions Fe + O-2 + M a dagger" FeO2 + M (I) and FeO + O-2 a dagger" FeO2 + O (II) are determined by analyzing experimental data within the framework of a model based on the Rice-Ramsperger-Kassel-Marcus theory with consideration given to excited electronic states of the three isomeric forms of the FeO2 molecule. A new method for determining the dissociation energy and the height of the energy barrier for the reverse recombination reaction is proposed. The enthalpy of formation of FeO2, Delta(f) H (au <)(FeO2, 0) = 72 +/- 15 kJ/mol, and the Gibbs energy function of FeO2, phi(au <)(FeO2, T), J mol(-1) K-1 = 421.4552 + 59.9779lnx - 0.0073327x (-2) + 0.9598x (-1) (x = T x 10(-4); 250 < T < 3000 K), are obtained. The best description of the measured rate constants of reactions (I) and (-I) in the framework of the model was achieved at k (0, 1)(250 < T/K < 3000) = 3.2 x 10(18)(T/1000)(-2.6)exp(-3169/T) cm(6) mol(-2) s(-1) and k (0, -1)(1000 < T/K < 3000) = 4.0 x 10(19)(T/1000)(-4.0)exp(-45162/T) cm(3) mol(-1) s(-1). Using the published data on the rate constant of reaction (-II) and the calculated equilibrium constants, the rate constant of reaction (II), k (2)(1000 < T/K < 3000) = 10(13 +/- 0.2)(T/1000)(0.4)exp(-8200 +/- 1320/T) cm(3) mol(-1) s(-1), is obtained. It is shown that the available experimental data on the rate constants of reactions (I) and (-I) cannot be described without taking into account electronically excited states of the FeO2 molecule. New estimates of the dissociation energy D (0)(Fe-O-2), based on a number of published data for reactions involving the FeO2 molecule, are presented.
Библиографическая ссылка:
Smirnov V.N.
Thermochemical parameters and rate constants of the reactions Fe + O2 + M ↔ FeO2 + M and FeO + O2 ↔ FeO2 + O
Kinetics and Catalysis. 2012. V.53. N5. P.543-553. DOI: 10.1134/S0023158412050138 WOS Scopus РИНЦ CAPlus OpenAlex
Thermochemical parameters and rate constants of the reactions Fe + O2 + M ↔ FeO2 + M and FeO + O2 ↔ FeO2 + O
Kinetics and Catalysis. 2012. V.53. N5. P.543-553. DOI: 10.1134/S0023158412050138 WOS Scopus РИНЦ CAPlus OpenAlex
Оригинальная версия:
Смирнов В.Н.
Термохимические параметры и константы скорости реакций Fe + O2 + M ↔ FeO2 + M и FeO + O2 ↔ FeO2 + O
Кинетика и катализ. 2012. Т.53. №5. С.570-581. РИНЦ РЖ ВИНИТИ
Термохимические параметры и константы скорости реакций Fe + O2 + M ↔ FeO2 + M и FeO + O2 ↔ FeO2 + O
Кинетика и катализ. 2012. Т.53. №5. С.570-581. РИНЦ РЖ ВИНИТИ
Даты:
| Поступила в редакцию: | 26 дек. 2011 г. |
| Опубликована в печати: | 1 сент. 2012 г. |
Идентификаторы БД:
| Web of science: | WOS:000309239200005 |
| Scopus: | 2-s2.0-84870202853 |
| РИНЦ: | 20493733 |
| Chemical Abstracts: | 2012:1413107 |
| OpenAlex: | W1965532728 |