Analysis of dissociation and internal energy transfer in high energy N2 + O2 collisions using the quasiclassical trajectory method

Ross S. Chaudhry, Jason D. Bender, Paolo Valentiniy, Thomas E. Schwartzentruberz, Graham V. Candler

Research output: Chapter in Book/Report/Conference proceedingConference contribution

6 Scopus citations


We perform quasiclassical trajectory analysis of N2 + O2 collisions sampled from ther-mal equilibrium between 5000 and 13000 K. Approximately 1.8 billion trajectories are computed using a potential energy surface recently published by Varga et al.1 The reac-tion rate constant for O2 dissociation is found to be lower than reported in the literature, especially at low temperatures. The nitrogen dissociation rate is similar to literature and is consistent with previous work using N2 + N2 collisions. The exchange reactions, which produce at least one NO and are not accounted for in current models, are found to be prevalent. The dissociation and exchange event has a reaction rate constant approximately an order of magnitude higher than nitrogen dissociation. Exchange reactions are found to rely disproportionately on the internal energy of oxygen at low temperatures. Addition-ally, the opacity functions for both exchange reactions are found to sharpen as temperature decreases. Product nitric oxide is found to have roughly Boltzmann internal energy distri-butions, with a temperature strongly dependent on the type of exchange reaction. These data and analysis lay the foundation for rigorous models and rates necessary for CFD calculations of high-enthalpy ows.

Original languageEnglish (US)
Title of host publication46th AIAA Thermophysics Conference
PublisherAmerican Institute of Aeronautics and Astronautics Inc, AIAA
ISBN (Print)9781624104350
StatePublished - 2016
Event46th AIAA Thermophysics Conference, 2016 - Washington, United States
Duration: Jun 13 2016Jun 17 2016

Publication series

Name46th AIAA Thermophysics Conference


Other46th AIAA Thermophysics Conference, 2016
Country/TerritoryUnited States

Bibliographical note

Publisher Copyright:
© 2016, American Institute of Aeronautics and Astronautics Inc, AIAA. All right reserved.


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