Quasiclassical Trajectory Study of NO Vibrational Relaxation by Collisions with Atomic Oxygen
Abstract
Room temperature and temperature-dependent thermal rate constants are calculated for the state-to-state vibrational relaxation of NO by atomic oxygen using the quasiclassical trajectory method and limited ab initio information on the two lowest O+NO potential energy surfaces which are responsible for efficient vibrational relaxation. Comparisons of the theoretical results with the available experimental measurements indicate reasonable agreement for the deactivation of NO(v=2,3) at 300 K and NO(v=1) at 2700 K, although the calculated relaxation rate constant for NO(v=1) at 300 K is approximately a factor of 2 below the measured value. The state-to-state relaxation rate coefficients involve the formation of long lived collision complexes and indicate the importance of multiquantum vibrational relaxation consistent with statistical behavior in O+NO collisions. The present results, combined with recent measurements of vibrational relaxation for NO(v=2.3), suggest that the current atmospheric models of NO cooling rates require higher atmospheric temperatures and/or an increase in the NO/O number densities.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jan 01, 2007
- Accession Number
- ADA469445
Entities
People
- James W. Duff
- Ramesh D. Sharma