Vibrational-rotational-translational energy transfer in Ar + OH. Quasiclassical trajectory state-to-state cross sections
A study has been made of the energy transfer in Ar + OH using quasiclassical trajectories and a pairwise additive potential. The calculations were carried out for initial vibrational states nu/sub i/ = 0, 2, and 4 and initial rotational states J/sub 1/ = 0, 10, and 20 for initial relative translational energies 0.2, 0.5, and 1.0 eV. State-to-state cross sections were computed to provide information on pure-rotational energy transfer, vibration-rotation (V-R) transitions, and vibrational relaxation. Energy transfer in collisions of Ar with highly excited OH involves multiple-quantum V-R transfers. As the vibrational energy is collisionally decreased, the rotational energy is increased. Varying the collision energy has a minor influence on V-R transfer. For J/sub i/ = 0 there is essentially no vibrational energy effect on pure-rotational energy transfer for 0.2 to 1.0-eV collision energy. For the larger J/sub i/ there is both a vibrational and translational energy effect on the rotational energy transfer. Vibrational relaxation cross sections are strongly dependent on J/sub i/. 19 figures, 6 tables.
- Research Organization:
- Los Alamos National Lab., NM
- OSTI ID:
- 6704574
- Journal Information:
- J. Phys. Chem.; (United States), Journal Name: J. Phys. Chem.; (United States) Vol. 86:13; ISSN JPCHA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ARGON
COLLISIONS
CROSS SECTIONS
ELEMENTS
ENERGY LEVELS
ENERGY TRANSFER
EQUATIONS
EXCITED STATES
FLUIDS
GASES
HYDROGEN COMPOUNDS
HYDROXIDES
HYDROXYL RADICALS
ION COLLISIONS
ION-MOLECULE COLLISIONS
MATHEMATICS
MOLECULE COLLISIONS
MONTE CARLO METHOD
NONMETALS
NUMERICAL ANALYSIS
OXYGEN COMPOUNDS
RADICALS
RARE GASES
ROTATIONAL STATES
STATISTICS
TRAJECTORIES
VIBRATIONAL STATES