Reactive Molecular Dynamics Study on the Effect of H2O on the Thermal Decomposition of Ammonium Dinitramide

Tao Zeng, Rongjie Yang, Dinghua Li, Jianmin Li, Xiaoyan Guo*, Peng Luo

*此作品的通讯作者

科研成果: 期刊稿件文章同行评审

9 引用 (Scopus)

摘要

Ammonium dinitramide (ADN) is a halogen-free green oxidizer, which is widely used in energetic materials because of its positive oxygen balance and low characteristic signal. However, ADN is easy to absorb moisture, which affects its storage and safety performances. It is of great significance to study the effect of water on its thermal decomposition mechanism. In this paper, the thermal decomposition processes of the ADN with water contents of 0 %, 1 %, 2 %, 5 %, and 10 % are simulated by large-scale reactive molecular dynamics simulations. The reaction pathway and the evolution of the main products are analyzed in detail. The results show that the ADN is not stable and decompose easily, namely ADN (Formula presented.) NH3(NH4)+HN3O4(N3O4). The H2O has a significant effect on the thermal decomposition of the ADN. The water contents of 2 % and 5 % can better promote the decomposition of the ADN and the degree of decomposition is also more thorough.

源语言英语
页(从-至)1590-1599
页数10
期刊Propellants, Explosives, Pyrotechnics
45
10
DOI
出版状态已出版 - 1 10月 2020

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