Determination of the Relationship between Impact Sensitivity and Electrostatic Sensitivity of Nitro Energetic Compounds through Multiple Linear Regression Method

In this work the relationship between impact sensitivity and electrostatic sensitivity of energetic nitro compounds is investigated. Also, the most important molecular descriptors which have effect on this correlation are studied. The results are shown that the ratio of number of the oxygen atoms to hydrogen atoms  ( nO/nH), the number of amino groups(NH2)have an important roles in the proposed model.  The determination coefficient of the new correlation is 0.99. Also, it has the root mean square deviation (RMSD) and the average absolute deviation (AAD) of 2.79 and 2.09 J, respectively. In addition, the correlation gives good predictions for further 14 energetic nitro compounds as test set. Currently exact mechanism of initiation of energetic materials due to external stimuli is not well understood. We tried to investigate the relationship between impact sensitivity and electrostatic sensitivity of Nitro Energetic Compounds, and recognize the effect of structural factors in the development of this sensitivity using Multiple Linear Regression Method. The proposed model can also apply for designing novel energetic nitro compounds.