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HERO ID
7701579
Reference Type
Journal Article
Title
Molecular dynamics simulation of binding energy of TATB-based PBX
Author(s)
Huang, YC; Hu, YJ; Xiao, JJ; Yin, KL; Xiao, HM; ,
Year
2005
Is Peer Reviewed?
Yes
Journal
Acta Physico - Chimica Sinica
ISSN:
1000-6818
Publisher
PEKING UNIV PRESS
Location
BEIJING
Page Numbers
425-429
DOI
10.3866/PKU.WHXB20050416
Web of Science Id
WOS:000228546800016
URL
http://www.whxb.pku.edu.cn/EN/10.3866/PKU.WHXB20050416
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Abstract
The interactions between four fluorine-polymers, i.e. polyvinylidene fluorine (PVDF), polychlorotrifluoroethylene(PCTFE), fluorine rubber(F-2311),fluorine resin(F-2314) and TATB(1,3,5-triamino-2,4,6-trinitrobenzene) crystal have been simulated by molecular dynamics(MD). The results show that the order of binding energies for four fluorine-polymers with TATB are as following: PVDF > F-2311 > F-2314 > PCTFE. The abilities of different TATB crystal surfaces to combine fluorine-polymers decrease as following: (001)>(010)> (100). Binding energy is mainly determined by intermolecular hydrogen bond.
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