Metastable Methane Dimers in Collisions with Inert Gas Atoms: Study According to the Method of Classical Trajectories

The formation of collision complexes, also called quasi-complexes (QCs), metastable dimers, or Feshbach resonances, is studied for CH4–He, Ne, and Ar systems by the method of classical trajectories. The calculations use exact 3D classical Hamilton equations in the action–angle variables and nonempirical surfaces of the interaction’s potential energy. The collision parameters are selected by the Monte Carlo method. A statistical analysis of the QC 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 in 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 the methane mixtures considered the RT-relaxation in QC-type collisions is much more effective than in ordinary inelastic collisions.

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Publication Details

Journal
Russian Journal of Physical Chemistry B
Published
2024-10-01
DOI
https://doi.org/10.1134/s1990793124700830
Citations
1
Primary Topic
Gas Dynamics and Kinetic Theory
Type
article
Field-Weighted Citation Impact
0.97
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article

Metastable Methane Dimers in Collisions with Inert Gas Atoms: Study According to the Method of Classical Trajectories

S. V. Ivanov
1 citations
Russian Journal of Physical Chemistry B
Gas Dynamics and Kinetic Theory
0.97
article

Metastable Methane Dimers in Collisions with Inert Gas Atoms: Study According to the Method of Classical Trajectories

S. V. Ivanov
article en
1 citations

Abstract

The formation of collision complexes, also called quasi-complexes (QCs), metastable dimers, or Feshbach resonances, is studied for CH4–He, Ne, and Ar systems by the method of classical trajectories. The calculations use exact 3D classical Hamilton equations in the action–angle variables and nonempirical surfaces of the interaction’s potential energy. The collision parameters are selected by the Monte Carlo method. A statistical analysis of the QC 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 in 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 the methane mixtures considered the RT-relaxation in QC-type collisions is much more effective than in ordinary inelastic collisions.

Russian Journal of Physical Chemistry BVol. 18(5)
Federal Scientific Research Centre Crystallography and Photonics (RU)
Openalex Percentile: Top 22%
Gas Dynamics and Kinetic Theory
0.97
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Metastable Methane Dimers in Collisions with Inert Gas Atoms: Study According to the Method of Classical Trajectories — S. V. Ivanov · Russian Journal of Physical Chemistry B (2024) | TGRS Research Map | TGRS