Theoretical Shock Sensitivity Index for Explosives

被引:37
作者
Mathieu, D. [1 ]
机构
[1] CEA, DAM, F-37260 Le Ripault, Monts, France
关键词
ENERGY-TRANSFER RATES; IMPACT SENSITIVITY; INITIATION; CRYSTALS; PREDICTION; NITRAMINES; SECONDARY; HMX;
D O I
10.1021/jp209730a
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
On the basis of simple physical arguments, the ratio of the weakest bond dissociation energy of nitro compounds to their decomposition enthalpy per covalent bond is put forward as a practical shock sensitivity index. Without any empirical fitting, it correlates remarkably well (R >= 0.95) with shock sensitivity data reported for 16 molecules spanning the most significant families of explosive compounds. This result supports the underlying assumption that this property depends on the ability of decomposition events to propagate into the material. It demonstrates that sensitivity structure relationships should take the energy content of the material into account. A linear regression against the present sensitivity index yields a predictive method with better performance than previous ones. Its sounder physical bases provide new insight into the molecular determinants of sensitivity and a compelling explanation for the sensitivity values reported for TATB and FOX-7.
引用
收藏
页码:1794 / 1800
页数:7
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