Models for predicting impact sensitivity of energetic materials based on the trigger linkage hypothesis and Arrhenius kinetics.

ABSTRACT: In order to predict the impact sensitivity of high explosives, we designed and evaluated several models based on the trigger linkage hypothesis and the Arrhenius equation. To this effect, we calculated the heat of detonation, temperature of detonation, and bond dissociation energy for 70 energetic molecules. The bond dissociation energy divided by the temperature of detonation proved to be a good predictor of the impact sensitivity of nitroaromatics, with a coefficient of determination (R2) of 0.81. A separate Bayesian analysis gave similar results, taking model complexity into account. For nitramines, there was no relationship between the impact sensitivity and the bond dissociation energy. None of the models studied gave good predictions for the impact sensitivity of liquid nitrate ester

SUBMITTER: Jensen TL 

PROVIDER: S-EPMC7256078 | biostudies-literature | 2020 Mar

REPOSITORIES: biostudies-literature