4.2 Article

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

Journal

RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A
Volume 91, Issue 11, Pages 2161-2169

Publisher

MAIK NAUKA/INTERPERIODICA/SPRINGER
DOI: 10.1134/S0036024417110309

Keywords

oscillator in the field of an external force; VT/VV-energy exchange with a change of Hamiltonian

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A new model for calculating the rates of reactions of excitation, ionization, and atomic exchange is proposed. Diatomic molecule AB is an unstructured particle M upon the exchange of elastic-vibrational (VT) energy, i.e., a model of a shock forceful oscillator with a change in Hamiltonian (SFOH). The SFOH model is based on the quantum theory of strong perturbations. The SFOH model allows generalization in simulating the rates of the reactions of excitation, ionization, and atomic exchange in the vibrational-vibrational (VV) energy exchange of diatomic molecules, and the exchange of VV- and VT-energy of polyatomic molecules. The rate constants of the excitation of metastables A (3)Sigma (u) (+), B (3)Pi (g) , W (3)Delta (u) , B'(3)Sigma(u) (-), a'(3)Sigma (u) (-), and the ionization of a nitrogen molecules from ground state X-2 Sigma (g) (+) upon a collision with a heavy structureless particle (a nitrogen molecule), are found as examples.

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