Vestnik Moskovskogo Universiteta. Seriya 1. Matematika. Mekhanika
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Vestnik Moskovskogo Universiteta. Seriya 1. Matematika. Mekhanika, 2013, Number 1, Pages 38–44 (Mi vmumm376)  
This article is cited in 2 scientific papers (total in 2 papers)

Mechanics

Modeling of catalytic activity of an $\mathrm{Al}_2\mathrm{O}_3$ surface on the basis of the first principles

A. A. Buchachenkoa, V. L. Kovalevb, A. A. Krupnovc

a Lomonosov Moscow State University, Faculty of Chemistry
b Lomonosov Moscow State University, Faculty of Mechanics and Mathematics
c Lomonosov Moscow State University, Institute of Mechanics
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Abstract: The adsorption, desorption, impact, and associative heterogeneous recombination rate coefficients of atomic oxygen on the $\alpha$-$\mathrm{Al}_2\mathrm{O}_3$ surface are determined in the $500$–$2000$ K temperature range from the first-principle calculations on the interaction of oxygen atom and molecule with alumina clusters. These coefficients are used to calculate recombination coefficients and heat fluxes to the surface under the conditions similar to those of the MESOX test facility.
Key words: thermal protection coating, catalytic activity, heterogeneous recombination, atomic oxygen.
Funding agency Grant number
Russian Foundation for Basic Research 11-01-00280
Received: 26.12.2011
English version:
Moscow University Mechanics Bulletin, 2013, Volume 68, Issue 1, Pages 8–14
DOI: https://doi.org/10.3103/S0027133013010020
Bibliographic databases:
Document Type: Article
UDC: 544.47, 541.12, 533.6.011.5, 532.526, 541.12
Language: Russian
Citation: A. A. Buchachenko, V. L. Kovalev, A. A. Krupnov, “Modeling of catalytic activity of an $\mathrm{Al}_2\mathrm{O}_3$ surface on the basis of the first principles”, Vestnik Moskov. Univ. Ser. 1. Mat. Mekh., 2013, no. 1, 38–44; Moscow University Mechanics Bulletin, 68:1 (2013), 8–14
Citation in format AMSBIB
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\by A.~A.~Buchachenko, V.~L.~Kovalev, A.~A.~Krupnov
\paper Modeling of catalytic activity of an $\mathrm{Al}_2\mathrm{O}_3$ surface on the basis of the first principles
\jour Vestnik Moskov. Univ. Ser.~1. Mat. Mekh.
\yr 2013
\issue 1
\pages 38--44
\mathnet{http://mi.mathnet.ru/vmumm376}
\transl
\jour Moscow University Mechanics Bulletin
\yr 2013
\vol 68
\issue 1
\pages 8--14
\crossref{https://doi.org/10.3103/S0027133013010020}
\scopus{https://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-84874910417}
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