Theoretical study of the effect of PNMAIW on HNIW crystal transition in different crystal systems

Li Jie Li*, Shu Sen Chen, Jun Peng Ran, Hua Wang

*此作品的通讯作者

科研成果: 期刊稿件文章同行评审

摘要

In order to reveal the effect of PNMAIW on the crystal transition of HNIW theoretically, the stability configuration of PNMAIW was designed by the methods of molecular modeling. The effect of PNMAIW on the HNIW crystal in the system of nitric acid/water, ethyl acetate/n-hexane, and ethyl acetate/chloroform, respectively, was studied. The results show that PNMAIW has four stable structures. The bonding energy of PNMAIW to the surface of HNIW is much larger than that of the solvent and the nonsolvent to the surface of HNIW, so the exist of PNMAIW in the crystal transition system would inhibit the formation of ε-HNIW crystal.

源语言英语
页(从-至)1-5
页数5
期刊Huozhayao Xuebao/Chinese Journal of Explosives and Propellants
32
4
出版状态已出版 - 2009

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