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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >On the shock sensitivity of explosive compounds with small-scale gap test
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On the shock sensitivity of explosive compounds with small-scale gap test

机译:小间隙试验对炸药冲击敏感性的研究

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In this work an improved set of small-scale gap tests was applied to measure the shock sensitivity of 13 explosive compounds, and a Mn-Cu manometer was also employed to measure the output pressures of shock waves passed through aluminum gaps with different thicknesses to draw a standard curve. The critical initiation thicknesses of aluminum gaps of different explosive compounds (244 shots in total) were treated according to statistical method, and the Mulliken charges of nitro groups, bond dissociation energies of X-NO_2 (X = C, N), resonance energies, and ring strain energies of these explosive compounds were calculated with the means of DFT/BLYP/DNP calculations and homodesmotic reactions designs. Genetic function approximation was used to construct a relationship between the critical initiation thicknesses of aluminum gaps of different explosive compounds and their forementioned molecule structural parameters.
机译:在这项工作中,一组改进的小规模间隙试验用于测量13种爆炸化合物的冲击敏感性,并且还使用Mn-Cu压力计来测量通过不同厚度的铝间隙绘制的冲击波的输出压力。标准曲线。根据统计方法处理了不同爆炸性化合物(总共244发)的铝间隙的临界起始厚度,并计算了硝基的Mulliken电荷,X-NO_2的键解离能(X = C,N),共振能,利用DFT / BLYP / DNP计算和同渗反应设计计算了这些爆炸性化合物的环应变能和环应变能。遗传函数近似被用来建立不同爆炸化合物的铝间隙的临界起始厚度与它们的上述分子结构参数之间的关系。

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