Numerical Simulation of Detonation Parameters for TNT and TATB Detonation Products

The equilibrium compositions of TNT and TATB explosives detonation products are calculated by minimizing the Gibbs free energy and solving the chemical equilibrium equations.The calculated results are very close to that of BKW and LJD equation of state.We consider the four states of carbon,graphite,diamond,graphitelike,diamondlike,and calculate the Gibbs free energy of carbon by using our programs.The improved WCA equation and Ross's variational perturbation theory were used for the equation of state of detonation products,and the detonation properties of TNT and TATB explosives were calculated.The calculated detonation velocity and pressure at CJ point match well with the experimental data.