双核二茂铁衍生物对超细AP/DFD体系机械感度的影响机制

为了研究双核二茂铁衍生物(DFD)分子结构与超细高氯酸铵(AP)/DFD体系机械感度的相关性,采用计算化学与实验相结合的方法,探索了DFD分子结构、AP与DFD相互作用、超细AP/DFD体系的热分解特征量与该体系机械感度的相关性。结果表明,超细AP/DFD体系的撞击感度和摩擦感度的触发机制不同。超细AP/DFD体系机械感度的相关性分析表明,该体系撞击感度的触发源于AP热分解,超细AP/DFD体系的三个放热反应过程越集中,撞击感度越低;该体系摩擦感度的触发源于AP晶面-DFD相互作用和该体系低温段的反应,AP低温热分解峰温与DFD低温氧化峰温之差越大,摩擦感度越低。

Influence Mechanism of Molecular Structure on Mechanical Sensitivity of Fine AP and Double-core Ferrocene Derivative Mixture

To study the relationship between the molecular structure of double-core ferrocene derivatives (DFDs) and mechanical sensitivity of fine AP/DFD, molecular structure of DFD, interaction between AP and DFD, characteristics of thermal decomposition of super fine AP/DFD, and mechanical sensitivity of the mixture were studied by simulation and experiments. The trigger mechanisms of impact and friction sensitivity of the AP/DFD mixture were different. The correlation analysis showed that the thermal decomposition of AP was the dependent factor on the impact sensitivity of the mixture, the closer profiles for the three exothermic reaction processes caused lower impact sensitivity. The friction sensitivity of the mixture was dependent on the reaction between DFD molecule and crystal planes of AP,Higher difference beween the lower thermal decomposition temperature of AP and DFD led to lower friction sensitivity.