Modeling of vibration–electronic–chemistry coupling in the atomic–molecular oxygen system

Abstract

The comprehensive analysis of the kinetic processes in the atomic–molecular oxygen system is conducted on the base of the novel state-to-state model involving both electronically and vibrationally excited O2 molecules: O2(X3Σg-,V),O2(a1Δg,V),O2(b1Σg+,V) and O(3P), O(1D) atoms as well as vibrationally excited O3(1A1) molecules. The model describes properly experimental data on the total removal rate of vibrationally excited O2(X3Σg-) molecules, the temporal evolution of the population of O2(b1Σg+,V=1), and on the variation of vibrational temperature of O2(X3Σg-) behind strong shock wave. It is demonstrated that to describe with reasonable accuracy the variation of macroscopic flow parameters (pressure, temperature, density, and velocity) in the post shock region it is sufficient to use the widely applied model of mode approximation but in order to predict properly the species concentrations and populations of vibronic states of molecules just downstream the shock front it is needed to use state-to-state consideration.