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RAS Chemistry & Material ScienceХимическая физика Advances in Chemical Physics

  • ISSN (Print) 0207-401X
  • ISSN (Online) 3034-6126

Metastable methane dimers in collisions with inert gas atoms: study by the method of classical trajectories

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PII
10.31857/S0207401X24090013-1
DOI
10.31857/S0207401X24090013
Publication type
Article
Status
Published
Authors
S. V. Ivanov
  • Affiliation: Institute of Photon Technologies of Federal Scientific Research Centre “Crystallography and Photonics” of Russian Academy of Sciences
Volume/ Edition
Volume 43 / Issue number 9
Pages
3-18
Abstract
The formation of collision complexes, also called quasi–complexes (QC), metastable dimers or Feshbach resonances, has been studied for CH4 – He, Ne, Ar systems by the method of classical trajectories. The calculations used exact 3D classical Hamilton equations in the action–angle variables and non-empirical surfaces of the interaction potential energy. The selection of collision parameters was carried out by the Monte Carlo method. A statistical analysis of the QCs parameters is performed. It is shown that QCs can be both short-lived and long-lived and are characterized by a variety of interparticle separations. Among the total number of collisions, the fraction of QCs increases rapidly with a decrease of temperature. Formulas are given that reveal the contribution of QCs to the cross sections of the rotational RT- relaxation of CH4. It is shown that in methane mixtures considered RT- relaxation in QC- type collisions is much more effective than in ordinary inelastic collisions.
Keywords
квазисвязанные комплексы метан инертные газы метод классических траекторий метод Монте-Карло столкновительный RT- обмен
Date of publication
14.09.2025
Year of publication
2025
Number of purchasers
0
Views
2

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