Combination of micro- and macroscopic descriptions of the kinetics of chemical reactions and processes of vibrational energy exchange in a multicomponent gas mixture
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Chemical and vibrational kinetics equations for a multicomponent reacting gas mixture constructed by combining microscopic (level-by-level) and macroscopic (mode) descriptions are presented. A mixture of diatomic molecules, anharmonic oscillators, which interact with each other and other generally polyatomic components is treated as a subsystem described microscopically, that is, in the form of equations of balance of vibrational state populations. The subsystem of polyatomic components is considered macroscopically, that is, in the form of equations for component concentrations and mean vibrational mode energies. The kinetic equations obtained this way for a system as a whole correctly describe interactions between components considered microscopically and macroscopically.
Keywordsmulticomponent gas mixture chemical reactions vibrational nonequilibrium anharmonic oscillator population of vibrational states harmonic oscillator vibrational modes of polyatomic molecules
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