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Safety Performances and Molecular Dynamics Simulation of DNTF/HATO
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Xi′an Modern Chemistry Research Institute, Xi′an 710065, China

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    Abstract:

    In order to study the safety performances of the mixed explosives of 3,4-dinitrofurazanfuroxan (DNTF) and dihydroxylammonium 5,5´-bistetrazole-1,1´-diolate (HATO), the sensitivity of DNTF/HATO with different proportions were studied. The critical diameter of DNTF explosive was about 0.2 mm. When the HATO content was less than 55%, the mechanical sensitivity of DNTF/HATO decreased linearly with the increasing HATO content. The shock wave sensitivity of DNTF/HATO was similar to that of DNTF when the HATO content was no more than 50%, and only decreased when the HATO content was 55%. The thermal decomposition temperature of HATO decreased from 243 ℃ to 230 ℃ for DNTF/HATO. The molecular dynamics of DNTF/HATO was simulated by Dreiding force field. With the increasing HATO content, the bond length of C—N and C—O which connected NO2 and the ring in the DNTF molecule showed decreasing trend for DNTF/HATO, suggesting the enhanced structural stability of DNTF/HATO.

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王浩,高杰,陶俊,等. DNTF/HATO混合体系安全性及分子动力学模拟[J].含能材料,2019,27(11):897-901.
WANG Hao, GAO Jie, TAO Jun, et al. Safety Performances and Molecular Dynamics Simulation of DNTF/HATO[J]. Chinese Journal of Energetic Materials,2019,27(11):897-901.

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History
  • Received:June 03,2019
  • Revised:June 19,2019
  • Adopted:August 26,2019
  • Online: November 27,2019
  • Published: November 25,2019