화학공학소재연구정보센터
Propellants Explosives Pyrotechnics, Vol.35, No.2, 175-181, 2010
Simple Relationship for Predicting Impact Sensitivity of Nitroaromatics, Nitramines, and Nitroaliphatics
This paper describes the development of a simple model for predicting the impact sensitivity of nitroaromatics, benzofuroxans, nitroaromatics with alpha-CH, nitramines, nitroaliphatics, nitroaliphatics containing other functional groups, and nitrate energetic compounds using their molecular structures. The model is optimized using a set of 86 explosives for which different structural parameters exist. The model is applied to a test set of 120 explosives from a variety of the mentioned chemical families in order to confirm the reliability of a new method. Elemental composition and two specific structural parameters, that can increase or decrease impact sensitivity, would be needed in this new scheme. The predicted impact sensitivities for both sets have a root mean square (rms) of deviation from experiment of 23 cm, which shows good agreement with respect to the measured values as compared to the best available empirical correlations.