Rovibrational-Specific Master Equation Analysis of High-Temperature Air Mixture

This work presents a result of rovibrational-specific master equation analysis for a high-temperature air mixture at 10,000 K. The state-to-state kinetic database utilized for the master equation analysis includes N₂ +N₂, N₂ +N, N₂ +O, O₂ +O₂, O₂ +O, and NO+N systems. A novel investigation is done to calculate the rovibrational-specific rate coefficients of diatom+diatom collisional systems by means of the coarse-grain quasi-classical trajectory method. In the integration of the set of master equations, all of the considered kinetic processes are included together. The analysis in the present study reveals that the coupling phenomena between the dissociation reaction and internal energy transfer is governed by different chemical systems in the beginning of a molecular quasi-steady state period, and in its end region. In addition, the chemistry-internal energy coupling represents significantly different behavior along with rotational states for a given vibrational level for both the dissociation and heterogeneous exchange reactions. This observation implies the importance of rotational nonequilibrium in the modeling of high-temperature air mixtures. Finally, comparison of the present result with existing numerical models reveals significant level of discrepancy in species concentration evolution that motivates extension of the present work to wider range of temperatures as future investigation.