DSMC modelling of vibrational and chemical kinetics for a reacting gas mixture

A zero-dimensional Direct Simulation Monte Carlo (DSMC) model is developed for simulating reacting gas mixtures including state-to-state vibrational kinetics and simple bimolecular reactions. The method is applied to the simulation of three systems: translational relaxation of a hard sphere gas, vibrational relaxation of an anharmonic oscillator gas and dissociation in a simplified H2–Xe system. In this last case, the role of translational non-equilibrium is shown to be important in affecting the dissociation kinetics.