The dynamics of dissociation of diatomic molecules and mass effect

Abstract

The effect of the mass of the third body upon the dynamics of dissociation of Br₂ at 6000°K was studied using 3D classical trajectory calculations. It was found that the dissociation cross section and the impact parameter, being sensitive functions of Br₂ total energy, are also sensitive functions of the mass of the third body. However, the total equilibrium dissociation rate coefficient (one−way flux) varies but little with the mass of the third body. The latter finding is in qualitative agreement with the variational theory of reaction rates and the available experimental data.