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Modeling of vibration–electronic–chemistry coupling in the atomic–molecular oxygen system
Authors:BI Loukhovitski  AM Starik  
Institution:aP.I. Baranov Central Institute of Aviation Motors, Department of Physical and Chemical Kinetics, Aviamotornaya Street 2, Moscow 111116, Russia
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: View the MathML source 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 View the MathML source molecules, the temporal evolution of the population of View the MathML source, and on the variation of vibrational temperature of View the MathML source 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.
Keywords:Oxygen  Electronic–  vibrational coupling  State-to-state kinetics  Shock wave  Reacting gas
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