Publication: Molecular dynamics simulation of polymerization of the carbon under thermal decomposition of methane at constant volume
Дата
2020
Авторы
Journal Title
Journal ISSN
Volume Title
Издатель
Аннотация
© Published under licence by IOP Publishing Ltd.Thermal decomposition of methane was simulated at high temperature and pressure using the molecular dynamics method. The calculation was carried out employing ReaxFFlg potential. We show the dependence of the decomposition products on time and the results of methane polymerization at constant temperature. We also show the influence of gradual temperature decrease at the size of the polymers.
Описание
Ключевые слова
Цитирование
Kudinov, A. V. Molecular dynamics simulation of polymerization of the carbon under thermal decomposition of methane at constant volume / Kudinov, A.V., Gubin, S.A., Bogdanova, Yu.A. // Journal of Physics: Conference Series. - 2020. - 1686. - № 1. - 10.1088/1742-6596/1686/1/012082