Predicting impact sensitivities of nitro compounds on the basis of a semi-empirical rate constant.

A physically motivated model is put forward to estimate impact sensitivity of nitro compounds on the basis of the relationship h(50) ∝ k(pr)(-4) between drop weight impact test data h(50) and rate constant k(pr) for the propagation of the decomposition. An approximate expression involving two adjustable parameters is introduced to estimate k(pr) from molecular structure. As a result, using only a hand-held calculator, ln(h(50)) values are estimated with a good reliability (R(2) ≃ 0.8) compared to previous schemes. These results support the underlying assumption that sensitivity primarily depends on the ability of reacting species to propagate the decomposition before the released energy dissipates away.