Accession Number : ADA112286

Title :   Theoretical Research Investigation for Air Molecular Calculations.

Descriptive Note : Final rept. 15 Sep 80-15 Mar 81,


Personal Author(s) : Michels,H Harvey

PDF Url : ADA112286

Report Date : 15 Apr 1981

Pagination or Media Count : 93

Abstract : The reaction rate of the ion-molecule reaction 0(+) + N2 yields N0(+) N has been calculated using quantum mechanical methods. This reaction is important in both the nuclear disturbed and natural ionospheres, since it is major route for formation of N0(+). The detailed state-to-state cross-sections for this reaction have been calculated as a function of the kinetic energy of the collision and of the vibrational state of nitrogen in its ground electronic state. The energy range used was 0.1 to 10 eV. An examination of the potential energy hypersurfaces involved led to use of the lowest 4 A double prime hypersurface for the reaction. The cross-sections were then calculated using an R-matrix propagator technique. The calculations are in excellent agreement with experiment down to energies of about 0.2 eV, where other mechanisms become dominant. It has been found that increasing either the translational or vibrational energy results in a large increase in cross-section at low energies. (Author)

Descriptors :   *Computations, *Energy transfer, *Air, *Molecular vibration, Ionospheric disturbances, Theory, Research management, Potential energy, Kinetic energy, Electronic states, Nitrogen, Low energy, Quantum theory, Cross sections, Molecular ions

Subject Categories : Numerical Mathematics
      Nuclear Physics & Elementary Particle Physics

Distribution Statement : APPROVED FOR PUBLIC RELEASE