Molecular dynamics simulation of the rate of dissociation and of the time of vibrational relaxation of diatomic molecules

A method is described for molecular dynamics calculation of the rate of dissociation and of the time of vibrational relaxation of N(2) and O(2) diatomic molecules, which involves simultaneous simulation of the entire ensemble of particles based on the classical concepts of the dynamics of molecules with internal degrees of freedom. Agreement between the calculation results and experimental data is discussed.