Prediction of Detonation Parameters of Energetic Nitro Compounds through Mixture Simulation

Abstract

AbstractBy adding the simulation of initial density into the Stine linear equations to match the element composition, condensed phase enthalpy of formation, and initial density of proposed compound, so‐called mixture simulation (MS) method for predicting the detonation parameters of energetic compound are deduced at the Chapman‐Jouguet detonation theory level in this work. Through selecting the suitable basis set consisting of six basis components, the maximum deviations of MS‐computed detonation velocity and detonation pressure from corresponding experimental values are within 0.2 km s−1 and within 3.4 GPa for the energetic nitro compounds calculated here, respectively. Considering that no empirical parameters are introduced into this model, this calculation is relatively accurate at present. Calculated results show that the MS method can effectively reflect the influence of initial density on detonation parameters and can predict the detonation parameters of non‐nitro energetic compound.