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Ab initio analysis of the contributions of Eley-Rideal and Langmuir-Hinshelwood mechanisms in the atomic oxygen recombination on the Al2O3 coatingдоклад на конференции
- Авторы: Kovalev V.L., Buchachenko and A.A, Kroupnov A.A.
- Конференция : 5TH EUROPEAN CONFERENCE FOR AERONAUTICS AND SPACE SCIENCES (EUCASS)
- Даты проведения конференции: 2013
- Тип доклада: не указан
- Докладчик: не указан
- Место проведения: Munich, Germany, 1-5 July,2013, Germany
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Аннотация доклада:
The rate coefficients of adsorption, desorption, Eley-Rideal (ER) and Langmuir-Hinshelwood (LH) reactions are determined for heterogeneous recombination of atomic oxygen on the a-Al2O3 surface in the 500-2000 K temperature range from the first-principle calculations on alumina clusters. These parameters are used to calculate recombination coefficients at the conditions that model the experiments at MESOX facility. Crossover from the ER-mediated to LH-mediated regime is found to occur at ca. 1100 K. Good agreement with the measurements in the 1000-1400 K temperature range attests the first-principle cluster modeling combined with the statistical methods for rate coefficient calculations as a simple and adequate approach for preliminary characterization of the prospective thermal protection coverages.
- Добавил в систему: Ковалев Валерий Леонидович