Third body efficiencies for collision-induced dissociation of diatomics. Rate coefficients for H+H/sub 2/. -->. 3H
Fixed-energy cross sections, thermal-translation rate constants, energies of activation, opacity functions, and probabilities of reaction as functions of initial relative orientation angle are presented for the reaction H+H/sub 2/(v, j)..-->..3H on the lowest-energy potential surface for selected initial vibrational-rotational states (v, j) of H/sub 2/. In agreement with the experimental result for steady dissociation of a thermal mixture of initial states, the collision-induced dissociation process for these state-selected processes is found to be considerably enhanced for H as collision partner as compared to Ar as collision partner. We find that the cross sections for collision-induced dissociation are strongly increasing functions of initial internal energy and initial vibrational quantum number. The general trend at 4500 K is that the rate constants increase more rapidly than the equilibrium populations decreases as we increase v. The activation energies for complete dissociation are larger than the fixed-state binding energies by 0.2--1.1 eV.
- Research Organization:
- Los Alamos National Laboratory, University of California, Los Alamos, New Mexico 87545
- OSTI ID:
- 6235673
- Journal Information:
- J. Chem. Phys.; (United States), Vol. 78:5
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
HYDROGEN
ATOM-MOLECULE COLLISIONS
DISSOCIATION
ACTIVATION ENERGY
CHEMICAL REACTION KINETICS
CROSS SECTIONS
ATOM COLLISIONS
COLLISIONS
ELEMENTS
ENERGY
KINETICS
MOLECULE COLLISIONS
NONMETALS
REACTION KINETICS
640304* - Atomic
Molecular & Chemical Physics- Collision Phenomena