Classical Trajectory Study of the Effect of Vibrational Energy on the Reaction of Molecular Hydrogen with Atomic Oxygen.
Abstract
The influence of reagent vibrational energy on the rate of chemical reactions is the subject of a great deal of interest. It is of special importance to laser enhanced reactions, atmospheric reactions under disturbed conditions and combustion processes in general. Recent studies have demonstrated rate accelerations of several orders of magnitude when one of the collision partners is vibrationally excited. The reaction O + H2(v=1) goes to OH + H has recently received attention because of its importance in modeling IR radiation in certain rocket plumes. Here the results are reported of an extensive classical trajectory study of the reaction of atomic oxygen with both H2(v=0) and H2(v=1) using an LEPS potential energy surface. In addition to determining the rates for these reactions, the branching ratio is calculated for the production of OH(v=1) and OH(v=0) when H2(v=1) is the reactant.
Document Details
- Document Type
- Technical Report
- Publication Date
- Apr 15, 1977
- Accession Number
- ADA039643
Entities
People
- Bernard R. Johnson
- Nicholas A. Winter
Organizations
- The Aerospace Corporation