Article

Arhive, 2016, № 1

Thermophysical Properties of Materials

2016. V. 54. № 1. P. 67–76

Tsyganov D.L.

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

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 $W_{i_1,i_2\to f_1,f_2}$ 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 $(\rm N_2)$ in the $\rm N_2$–$\rm N_2$ 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.

Article reference:
Tsyganov D.L. Rate constant of $VT/VV$ energy exchange in the collision di- or polyatomic molecules within the SFO model, High Temp., 2016. V. 54. № 1. P. 67