A MODEL OF NONEQUILIBRIUM DISSOCIATION OF DIATOMIC-MOLECULES FROM THETHRESHOLD VIBRATIONAL LEVEL OF AN ANHARMONIC-OSCILLATOR - CALCULATIONS WITH THE AVOGADRO SOFTWARE

A model of dissociation of diatomic molecules from the threshold vibra tional level is formulated, which takes into account the two possible regimes of VV-relaxation (resonant and nonresonant). An analytical exp ression for the nonequilibrium factor is specified in the form typical for the beta-model, however, in our case, beta is a function of two t emperatures, translational T and vibrational T-v. Expressions for the nonequilibrium factor and rate constant for dissociation of diatomics in a mixture with a gas of structure-less particles are derived. An al gorithm of including the model in the KINTTV code package of the AVOGA DRO software is devised. The model is verified with several specific e xamples, and the calculated data are compared with experiment.