Kinetic Models of Oxygen Thermochemistry Based on Quasi-Classical Trajectory Analysis
نویسندگان
چکیده
Recent progress in state-resolved kinetic models of thermal relaxation and dissociation of oxygen based on highfidelity transition rate coefficients is presented. Specifically, three types of collisions encountered in high-temperature flows are discussed: O2–O, O2–N, and O2–N2. For these molecular systems, the thermal relaxation times and dissociation rate coefficients, obtained from extensive trajectory simulations, are compared with existing experimental data.A new set of calculations forO2–N2 on an ab-initio potential energy surface is presented.Accuracy ofmultitemperaturemodels is assessedbasedon comparisonwith the solutionofmaster equations.Recommendations for adjustable parameters employed in multitemperature models are provided.
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