Rate constant of VT/VV energy exchange in the collision of di- and polyatomic molecules within the SFO model

• Published in: High temperature Vol. 54; no. 1; pp. 68 - 77
• Main Author: Tsyganov, D. L.
• Format: Journal Article
• Language: English
• Published: Moscow Pleiades Publishing 2016
• Subjects: Atoms and Molecules in Strong Fields; Classical and Continuum Physics; Industrial Chemistry/Chemical Engineering; Laser Matter Interaction; Materials Science; Physical Chemistry; Physics; Physics and Astronomy; Thermophysical Properties of Materials; Dissociation Rate Constant; Energy Exchange; Diatomic Molecule; First Order Perturbation Theory; Polyatomic Molecule
• ISSN: 0018-151X; 1608-3156
• DOI: 10.1134/S0018151X16010132

The numerical-analytical investigation of the shock forced oscillator (SFO) model is complete. Approaches for calculating the probabilities of quantum transitions from the initial to some final state with VV energy exchange of diatomic molecules and VV and VT energy exchange of polyatomic molecules are considered. Formulas for calculating the probabilities of the transition for VV energy exchange in collision of molecules AB and CD within the harmonic approximation are represented (SFHO model). It is shown that the probabilities of a quantum transition in VV and VT energy exchange of polyatomic molecules can be calculated in terms of the quantum transition probability for VT energy exchange of diatomic molecules on the assumption of “frozen” quantum transitions of polyatomic molecules. The problem of determining the dissociation rate constant is considered by the example of a nitrogen molecule (N 2 ) in the N 2 –N 2 system for the “improved” Lennard-Jones potential in VV energy exchange. The calculated dissociation rate constant is compared with the experimental data obtained for a shock tube.