Dissociation Cross Sections and Rate Coefficients for Nitrogen from Accurate Theoretical Calculations

摘要

The N, N2 system is studied to yield rate coefficients and cross sections for molecular dissociation under conditions important for assessing nonequilibrium heating of hypersonic vehicles. First principle calculations are used to generate realistic nuclear interaction potentials, and these are used with accurate molecular dynamics to yield the fundamental data required for a rigorous treatment of nonequilibrium chemistry.