Monte Carlo trajectory study of Ar+H/sub 2/ collisions: Thermally averaged vibrational transition rates at 4500 /sup 0/K

Journal Article · Sat Dec 01 04:00:00 EST 1979 · J. Chem. Phys.; (United States)

OSTI ID:5938784

Duff, J W; Blais, N C; Truhlar, D G

Quasiclassical trajectory calculations of vibrational transition rates in Ar+H/sub 2/ collisions have been carried out. A realistic potential energy surface has been used, and the rates are averaged over rotational--translation distributions at 4500 /sup 0/K. The same transition rates are calculated by eight distorted-wave-based theories which have been used by others for various applications. The present calculations provide a critical test of these theories, especially for high vibrational quantum numbers where data has been scarce. We also discuss dissociation rates, the rotational component of vibrational energy transfer, and a surprisal analysis of the vibrational transition rates.

• Research Organization: University of California, Los Alamos Scientific Laboratory, Los Alamos, New Mexico 87545
• OSTI ID: 5938784
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 71:11; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ARGON
ATOM COLLISIONS
ATOM-MOLECULE COLLISIONS
COLLISIONS
CRYOGENIC FLUIDS
ELEMENTS
ENERGY LEVELS
ENERGY TRANSFER
ENERGY-LEVEL TRANSITIONS
EXCITED STATES
FLUIDS
HYDROGEN
MOLECULE COLLISIONS
MONTE CARLO METHOD
NONMETALS
RARE GASES
VERY HIGH TEMPERATURE
VIBRATIONAL STATES