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 TVT, 2016, Volume 54, Issue 1, Pages 58–68 (Mi tvt422)

Thermophysical Properties of Materials

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

D. L. Tsyganov

Instituto de Plasmas de Fusao Nuclear, Laboratorio Associado, Instituto Superior Tecnico, Lisboa, Portugal

Abstract: 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 $( N_2)$ 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.

DOI: https://doi.org/10.7868/S0040364416010142

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English version:
High Temperature, 2016, 54:1, 67–76

Bibliographic databases:

UDC: 544.42, 544.08
Accepted:05.11.2014

Citation: D. L. Tsyganov, “Rate constant of $VT/VV$ energy exchange in the collision di- or polyatomic molecules within the SFO model”, TVT, 54:1 (2016), 58–68; High Temperature, 54:1 (2016), 67–76

Citation in format AMSBIB
\Bibitem{Tsy16} \by D.~L.~Tsyganov \paper Rate constant of $VT/VV$ energy exchange in the collision di- or polyatomic molecules within the SFO model \jour TVT \yr 2016 \vol 54 \issue 1 \pages 58--68 \mathnet{http://mi.mathnet.ru/tvt422} \crossref{https://doi.org/10.7868/S0040364416010142} \elib{http://elibrary.ru/item.asp?id=25069623} \transl \jour High Temperature \yr 2016 \vol 54 \issue 1 \pages 67--76 \crossref{https://doi.org/10.1134/S0018151X16010132} \isi{http://gateway.isiknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&DestLinkType=FullRecord&DestApp=ALL_WOS&KeyUT=000373148600012} \scopus{http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-84961595187} 

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This publication is cited in the following articles:
1. D. L. Tsyganov, “Inelastic collisions of molecules within the SFO model”, High Temperature, 55:1 (2017), 63–69
2. D. L. Tsyganov, “Calculating constants of the rates of the reactions of excitation, ionization, and atomic exchange: a model of a shock oscillator with a change of the Hamiltonian of the system”, Russ. J. Phys. Chem. A, 91:11 (2017), 2161–2169
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