Vn. Makarov et Sa. Losev, THE USE OF DATABASE FOR PHYSICOCHEMICAL PROCESSES IN FORMULATION OF SETS OF EQUATIONS GOVERNING A CHEMICALLY REACTING AND VIBRATIONALLY RELAXING GAS, CHEMICAL PHYSICS REPORTS, 16(5), 1997, pp. 793-812
A universal generator of equations that describe physicochemical kinet
ics using databases comprising chemical and plasma-chemical reactions,
vibration-vibrational and vibration-translational energy exchange bet
ween various modes in molecules, and processes allowing for the effect
of chemical reactions on vibrational relaxation is developed. A mathe
matical model of physicochemical processes in mixtures containing CO2,
N-2, He, H2O, CO, O-2, H-2, NO, OH, H, and O molecules and atoms is s
uggested, a mechanism of vibrational energy exchange and chemical reac
tions is chosen, and a physicochemical database is compiled. Potential
ity of the generator is illustrated by way of example of numerical sim
ulation of kinetic processes taking place in flows of a CO2-containing
laser mixture in a supersonic nozzle and laser cavity.