Theoretical study of the reaction kinetics and the detonation wave   profile for 1,3,5-triamino-2,4,6-trinitrobenzene

doi:10.1063/1.4967395

CORC > 北京大学 > 工学院

	Theoretical study of the reaction kinetics and the detonation wave profile for 1,3,5-triamino-2,4,6-trinitrobenzene
	Long, Yao ; Chen, Jun
刊名	JOURNAL OF APPLIED PHYSICS
	2016
关键词	MOLECULAR-DYNAMICS SIMULATIONS FORCE-FIELD HIGH EXPLOSIVES REAXFF CARBON TATB CRYSTAL STATE HMX DECOMPOSITION
DOI	10.1063/1.4967395
英文摘要	We simulate the reaction process of 1,3,5-triamino-2,4,6-trinitrobenzene in wide temperature and pressure ranges by molecular dynamics and evaluate the intermediate molecules, chemical reaction rates, and Hugoniot relations. Based on them, the leading shock wave, fast reaction zone, Chapman-Jouguet state, and slow reaction zone under detonation are investigated by different theoretical methods. A complete structure of the detonation wave is obtained. The calculated detonation velocity, detonation pressure, detonation products, and the length of the reaction zone are in agreement with the experiments and others' calculations. We find that some intermediate molecules play an important role in determining the reaction path of explosives but just remain a little after detonation, such as H-2 and NH3. Published by AIP Publishing.; National Natural Science Foundation of China [11474028, 11572053]; Development Foundation of China Academy of Engineering Physics [2014A0101004]; Foundation of LCP; Science Challenging Program; SCI(E); ARTICLE; long_yao@iapcm.ac.cn; jun_chen@iapcm.ac.cn; 18; 120
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/458444]
专题	工学院
推荐引用方式 GB/T 7714	Long, Yao,Chen, Jun. Theoretical study of the reaction kinetics and the detonation wave profile for 1,3,5-triamino-2,4,6-trinitrobenzene[J]. JOURNAL OF APPLIED PHYSICS,2016.
APA	Long, Yao,&Chen, Jun.(2016).Theoretical study of the reaction kinetics and the detonation wave profile for 1,3,5-triamino-2,4,6-trinitrobenzene.JOURNAL OF APPLIED PHYSICS.
MLA	Long, Yao,et al."Theoretical study of the reaction kinetics and the detonation wave profile for 1,3,5-triamino-2,4,6-trinitrobenzene".JOURNAL OF APPLIED PHYSICS (2016).