Quasiclassical trajectory analysis of oxygen dissociation is presented with conditions sampled from thermal equilibrium and nonequilibrium. Ground state O2 + O2 and O2 + O interactions both occur on several degeneracies, and so a total of 13 potential energy surfaces are used in the investigation. Spin and spatial degeneracy is found to have a moderate effect on the dissociation rate, and a strong effect on vibrational relaxation mechanisms in O2 + O. For a given thermal environment, the oxygen dissociation rate is found to be similar for all collision partners. The vibrational energy decrease due to dissociation, a necessary input to CFD, depends on the degree of thermal nonequilibrium, and a curve collapse with previous data for nitrogen dissociation is demonstrated. Finally, the effect of each reactive state on dissociation is quantified for both nitrogen and oxygen dissociation. The effect of collision partner’s internal energy on simple dissociation is probably negligible, and vibrational energy of the dissociating molecule has the strongest effect. These rigorous statistical analyses enable the development of physics-based models for CFD.
|Original language||English (US)|
|Title of host publication||AIAA Aerospace Sciences Meeting|
|Publisher||American Institute of Aeronautics and Astronautics Inc, AIAA|
|State||Published - 2018|
|Event||AIAA Aerospace Sciences Meeting, 2018 - Kissimmee, United States|
Duration: Jan 8 2018 → Jan 12 2018
|Name||AIAA Aerospace Sciences Meeting, 2018|
|Other||AIAA Aerospace Sciences Meeting, 2018|
|Period||1/8/18 → 1/12/18|
Bibliographical noteFunding Information:
This work was sponsored by the Air Force Office of Scientific Research under grant FA9550-16-1-0161. The views and conclusions contained herein are those of the authors and should not be interpreted as necessarily representing the official policies or endorsements, either expressed or implied, of the funding agencies or the U.S. Government.
© 2018, American Institute of Aeronautics and Astronautics Inc, AIAA. All rights reserved.