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Molecular Dynamics Simulation of Thermal Decomposition of Hydrogen

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dc.contributor.authorKudinov, A. V.
dc.contributor.authorBogdanova, Y. A.
dc.contributor.authorGubin, S. A.
dc.contributor.authorБогданова, Юлия Андреевна
dc.contributor.authorГубин, Сергей Александрович
dc.date.accessioned2024-11-21T18:15:13Z
dc.date.available2024-11-21T18:15:13Z
dc.date.issued2019
dc.description.abstract© 2019, Pleiades Publishing, Ltd.The molecular dynamics method was used for simulation of thermal decomposition of hydrogen molecules. As a test substances, we used liquid hydrogen. Interaction between hydrogen molecules in the system was described by the ReaxFF potential force field (2008). We show the time dependences of change in the amount of decomposition products. The activation energy of the reaction of hydrogen dissociation is calculated, which is in good agreement with the results by other authors and the reference literature.
dc.format.extentС. 1486-1489
dc.identifier.citationKudinov, A. V. Molecular Dynamics Simulation of Thermal Decomposition of Hydrogen / Kudinov, A.V., Bogdanova, Y.A., Gubin, S.A. // Physics of Atomic Nuclei. - 2019. - 82. - № 11. - P. 1486-1489. - 10.1134/S1063778819110103
dc.identifier.doi10.1134/S1063778819110103
dc.identifier.urihttps://www.doi.org/10.1134/S1063778819110103
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dc.identifier.urihttps://openrepository.mephi.ru/handle/123456789/19483
dc.relation.ispartofPhysics of Atomic Nuclei
dc.titleMolecular Dynamics Simulation of Thermal Decomposition of Hydrogen
dc.typeArticle
dspace.entity.typePublication
oaire.citation.issue11
oaire.citation.volume82
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