摘要
We always pursue improved energetic performances such as high formation enthalpies, moderate sensitivities and stabilities for all energetic compounds. 1,3,5-trinitroperhydro-1,3,5-triazine (RDX) is a very classic high-energy explosive which has been applied in both military and civilian fields broadly, whose combustion properties can be enhanced by introducing hydrogen-storage compounds such as Lithium amidoborane (LAB). Here we apply CPMD method to study how LAB affects a traditional nitramine explosive (RDX) in a simulated detonation. The theoretical results show there are abundant exothermic reactions caused by the introduction of LAB, which suggests hydrogen-storage material is a prospective assistant ingredient for composite explosives.
源语言 | 英语 |
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页(从-至) | 997-1006 |
页数 | 10 |
期刊 | ChemistrySelect |
卷 | 4 |
期 | 3 |
DOI | |
出版状态 | 已出版 - 23 1月 2019 |