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Keywords:

  • Impact sensitivity;
  • Energetic compound;
  • Molecular structure;
  • Safety

Abstract

This paper describes an improved simple model for prediction of impact sensitivity of different classes of energetic compounds containing nitropyridines, nitroimidazoles, nitropyrazoles, nitrofurazanes, nitrotriazoles, nitropyrimidines, polynitroarenes, benzofuroxans, polynitroarenes with α-CH, nitramines, nitroaliphatics, nitroaliphatic containing other functional groups, and nitrate energetic compounds. The model is based on some molecular structural parameters. It is applied for 90 explosives, which have different molecular structures. The predicted results are compared with outputs of complex neural network approach as one of the best available methods. Root mean squares (rms) of deviations of different energetic compounds are 24 and 49 cm, corresponding to 5.88 and 12.01 J with 2.5 kg dropping mass, for new and neural network methods, respectively. The novel model also predicts good results for eight new synthesized and miscellaneous explosives with respect to experimental data.