Publication: Molecular Dynamics Simulation of Thermal Decomposition of Hydrogen
Дата
2019
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© 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.
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Kudinov, 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
URI
https://www.doi.org/10.1134/S1063778819110103
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https://openrepository.mephi.ru/handle/123456789/19483
https://www.scopus.com/record/display.uri?eid=2-s2.0-85082506436&origin=resultslist
http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS_CPL&DestLinkType=FullRecord&UT=WOS:000520708000010
https://openrepository.mephi.ru/handle/123456789/19483