Recent progress in state-resolved kinetic models of thermal relaxation and dissociation of oxygen based on high-fidelity transition rate coefficients is presented. Specifically, three types of collisions encountered in high-temperature flows are discussed: O 2 O , O 2 N , and O 2 N 2 . 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 for O 2 N 2 on an ab-initio potential energy surface is presented. Accuracy of multitemperature models is assessed based on comparison with the solution of master equations. Recommendations for adjustable parameters employed in multitemperature models are provided.


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    Titel :

    Kinetic Models of Oxygen Thermochemistry Based on Quasi-Classical Trajectory Analysis


    Beteiligte:

    Erschienen in:

    Erscheinungsdatum :

    2016-11-22


    Format / Umfang :

    13 pages




    Medientyp :

    Aufsatz (Zeitschrift)


    Format :

    Elektronische Ressource


    Sprache :

    Englisch