Predicting
Impact Sensitivities of Nitro Compounds on the Basis of a Semi-empirical
Rate Constant
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Abstract
A physically
motivated model is put forward to estimate impact sensitivity of nitro
compounds on the basis of the relationship <i>h</i><sub>50</sub> ∝ <i>k</i><sub>pr</sub><sup>–4</sup> between drop weight impact
test data <i>h</i><sub>50</sub> and rate constant <i>k</i><sub>pr</sub> for the propagation of the decomposition.
An approximate expression involving two adjustable parameters is introduced
to estimate <i>k</i><sub>pr</sub> from molecular structure.
As a result, using only a hand-held calculator, ln(<i>h</i><sub>50</sub>) values are estimated with a good reliability (<i>R</i><sup>2</sup> ≃ 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