CEA, DAM, Le Ripault, F-37260 Monts, France.
J Phys Chem A. 2013 Mar 14;117(10):2253-9. doi: 10.1021/jp311677s. Epub 2013 Mar 4.
Among the subsequent steps leading from impact to explosive decomposition in nitro compounds, the ability of early exothermic reactions to trigger the decomposition of neighboring molecules before the released energy has dissipated away is assumed to be critical. The rate of this process is roughly estimated using as inputs the energy content and the dissociation energy of the weakest X-NO2 bonds. While the sensitivity index thus obtained was previously shown to exhibit striking correlations with gap test pressures, its correlation with drop weight impact test data is poorer. Nevertheless, considering four different subsets of molecules depending on the environment of the most labile nitro groups, straightforward regressions against this sensitivity index yield a practical method to estimate impact sensitivity, whose combination of fair performance and generality is provided by no alternative approach, except purely empirical models based on extensive parametrization.
在导致硝基化合物爆炸分解的后续步骤中，假定早期放热熔反应在释放的能量消散之前能够触发相邻分子的分解，这一点至关重要。使用能量含量和最弱的 X-NO2 键的离解能作为输入，可以粗略估计该过程的速度。虽然由此得到的灵敏度指数之前已被证明与间隙试验压力具有显著的相关性，但与落体撞击试验数据的相关性较差。尽管如此，考虑到根据最不稳定硝基基团的环境而划分的四个不同分子子集，针对该灵敏度指数进行的直接回归给出了一种估算撞击敏感性的实用方法，这种方法的性能和通用性都很好，除了基于广泛参数化的纯经验模型之外，没有其他方法可以替代。
