Numerical simulation of detonation parameters for PETN, RDX and HMX explosives

The equilibrium compositions of detonation products of PETN, RDX and HMX explosives are calculated by solving chemical equilibrium equations based on minimizing Gibbs free energy. The results are in good agreement with the results obtained based on BKW and LJD equations of state. The Gibbs free energy of carbon is calculated based on the most probable state of dissociated carbon in detonation products, which is determined by distinguishing the following four states of carbon: graphite, diamond, graphitelike and diamondlike.The WCA equation is taken as the equation of state of detonation products, and the detonation properties of PETN, RDX and HMX explosives are calculated. The detonation velocity, pressure and temperature at CJ point are in good agreement with the experimental data.