Simple method to calculate explosion temperature of ideal and non-ideal energetic compounds

The explosion (detonation) temperature of organic compounds containing energetic groups can be related to the study of the kinetics of chemical reactions in the reaction zone as well as the thermodynamic state of the detonation products. It can be predicted by a simple approach for ideal and less ideal energetic compounds as well as non-ideal composite explosives containing aluminum (Al) or ammonium nitrate (AN). A general correlation is introduced for calculation of the explosion temperature from the heat of detonation where it can be corrected for AN and liquid organic energetic compounds. For ideal and less ideal energetic compounds, the predicted results are compared with the outputs of complex thermochemical/hydrodynamic computer codes using two appropriate equations of state (BKWR-EOS and BKWS-EOS). The values of mean absolute percentage error (MAPE) in the explosion temperature for ideal and less ideal organic energetic compounds are 5.4, 5.5 and 12.5 for the new method, BKWS-EOS, and BKWR-EOS, respectively. The new method shows good agreement for non-ideal energetic compounds with respect to the outputs of BKWS-EOS using partial equilibrium where it provides good predictions for detonation performance.