Rovibrationally state-specific collision model for the O(Σg-3) + O(P3) system in DSMC.

A rovibrationally state-specific collision model for the O(Σg-3)+O(P3) system is presented for direct simulation Monte Carlo, including rotation-vibration-translation energy transfer, exchange, dissociation, and recombination processes. The two-step binary collision approach is employed to model recombination reactions. Two available cross section databases by Andrienko/Boyd and Esposito/Capitelli are employed for the rovibrationally resolved model (rv-STS) and vibrationally resolved model (v-STS), respectively.

Vibrational state-specific model for dissociation and recombination of the O( Σ )+O( P) system in DSMC.

A vibrational state-specific model for dissociation and recombination reactions within the direct simulation Monte Carlo method is introduced to study the energy level dynamics of the O + O system. The state-resolved cross sections for vibrational relaxation and dissociation reactions are obtained from a rotationally averaged quasi-classical trajectory database based on the Varandas and Pais O(  Σ )+O(  P) potential energy surface. A two-step binary collision framework is outlined to characterize the vibrational state-resolved recombination probabilities, which are constrained by detailed balance for orbiting pair formation, and microscopic reversibility applied to the dissociation cross sections for orbiting pair stabilization.