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The common trajectory effective mass (CTEM) approach is applied to the calculation of the temperature dependence of the vibrational relaxation rate coefficient k 10 in collisions of a diatomic molecule… Click to show full abstract
The common trajectory effective mass (CTEM) approach is applied to the calculation of the temperature dependence of the vibrational relaxation rate coefficient k 10 in collisions of a diatomic molecule with chemically inert atom on an anisotropic PES. As a case study, we consider the O2–Ar system for which experimental data across the wide temperature range and ab initio results for the PES are available. It is shown that temperature dependence of the vibrational relaxation rate coefficient k 10 is described by the CTEM approach with non-empirical value of the effective Landau–Teller characteristic temperature that indicates the contribution of O2 rotation in inducing vibrational transition. GRAPHICAL ABSTRACT
Journal Title: Molecular Physics
Year Published: 2021
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