Detailed cross section calculations of atom-molecule energy transfer processes and dissociation for hydrogen, nitrogen and oxygen

摘要

We have performed in the last years large amount of quasiclassical calculations concerning atom-diatom collision processes involving hydrogen, nitrogen and oxygen species, in order to construct a cross section database as detailed as possible concerning energy exchange and dissociation processes. The results are in good agreement with available thermal data, and have successfully been used either in vibrational kinetic codes in which translational equilibrium is implicitly assumed or not. Some computational aspects and problems are presented, with particular emphasis to the optimization of computational resources.