A Novel Approach for the Prediction of Electric Spark Sensitivity of Polynitroarenes Based on the Measured Data from a New Instrument

This paper introduces two novel correlations for the assessment of the electric spark sensitivity of polynitroarenes based on a new instrument, marked as ESZ KTTV, which gives more reliable experimental data than a previous old system, marked as RDAD. The first correlation used the number of oxygen and chlorine atoms, as well as a correcting function that increases the predicted results based on elemental composition. Since the relationship between the measurements from ESZ KTTV and RDAD is not unequivocal, a second correlation can convert the reported data based on the RDAD system to the ESZ KTTV instrument. The second correlation can be applied to many available predictive methods, and provides the estimated results based on the RDAD instrument. For 34 polynitroarenes, where experimental values from both the RDAD and the ESZ KTTV instruments were available, the values of the root-mean-square deviation (RMSD) for the first and second correlations were 43.9 mJ and 36.0 mJ, respectively. Thus, due to the larger uncertainty in the measured data of the old RDAD system, both correlations provide more reliable data based on the ESZ KTTV instrument.