Monte Carlo trajectory study of Ar+H/sub 2/ collisions. II. Vibrational and rotational enhancement of cross sections for dissociation. [Potential surface]
Integral cross sections and properties of the dissociated trajectories were calculated for the reactions Ar+H/sub 2/..-->..Ar+H+H and Ar+H/sub 2/(qb) ..-->..Ar+H+H, where H/sub 2/(qb) is a quasibound H/sub 2/. Integral cross sections were also calculated for Ar+H/sub 2/arrow-right-leftAr+H/sub 2/(qb). Twenty-four different (21 bound, 3 quasibound) initial vibrational--rotational states of H/sub 2/ are considered. The potential surface (which we presented previously) is based on modified statistical calculations at small distances and dissociates to an accurate potential in the van der Waals region and to accurate diatomic curves. At a total energy 1 eV above the energetic threshold for dissociation, we find reagent vibrational energy is very effective in promoting dissociation (the vibrational bias parameter of Kiefer, Joosten, and Breshears is about 11 to 13), rotational energy is second most effective, and relative translational energy is least effective. Except for the topmost vibrational level we find dissociation cross sections are much smaller than predicted by the hard-sphere available-energy theory. (AIP)
- Research Organization:
- University of California, Los Alamos Scientific Laboratory, Los Alamos, New Mexico 87545
- OSTI ID:
- 7323575
- Journal Information:
- J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 66:2; ISSN JCPSA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ARGON
ATOM COLLISIONS
ATOM-MOLECULE COLLISIONS
COLLISIONS
CROSS SECTIONS
CRYOGENIC FLUIDS
DISSOCIATION
ELEMENTS
ENERGY LEVELS
EXCITED STATES
FLUIDS
HYDROGEN
MOLECULE COLLISIONS
NONMETALS
RARE GASES
ROTATIONAL STATES
VIBRATIONAL STATES