Calculation of Energetics of Selected Atmospheric Systems. Theoretical Study of Dissociative-Recombination of e + NO(+).
Abstract
Calculations have been performed for the kinetics of the dissociative-recombination of an electron and the positive ion of nitric oxide. Electronic wavefunctions have been constructed for selected dissociating states of NO and expectation values of the electronic energy and electronic transition matrix elements have been calculated. The electronic wavefunctions for NO were analyzed to determine those states responsible for dissociative-recombination. Calculations are presented for the dissociation-recombination cross-sections as a function of electron energy and vibrational state of the molecular ion. These data are also reduced to kinetic rate constants as a function of the electron temperature and ion vibrational temperature, assuming independent Boltzmann distribution functions.
Document Details
- Document Type
- Technical Report
- Publication Date
- Sep 30, 1975
- Accession Number
- ADA024309
Entities
People
- H. Harvey Michels
Organizations
- United Technologies Corporation