Qct calculations of o2+o collisions: Comparison to molecular beam experiments

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

1 Scopus citations


We present quasiclassical trajectory analysis of O2+ O collisions at conditions representative of a crossed molecular beam experiment. These calculations are compared to experimental data in order to further validate the Potential Energy Surfaces (PESs) recently developed at the University of Minnesota. There are nine possible degenerate combinations of spin and spatial state for O2+O, each with its own PES. Analysis is performed on the combined nine state system and on each state separately. We show that using nine surfaces to account for all possible states improves agreement with experiment for both inelastic and exchange collisions. Trends seen in the scattering angle and translational energy distributions are interpreted in terms of energy barriers to exchange and opacity functions for each state. Further analysis of energy transfer in exchange collisions is performed for the aggregated nine state system and shows different results than single state analysis in other work.

Original languageEnglish (US)
Title of host publicationAIAA Scitech 2020 Forum
PublisherAmerican Institute of Aeronautics and Astronautics Inc, AIAA
ISBN (Print)9781624105951
StatePublished - 2020
EventAIAA Scitech Forum, 2020 - Orlando, United States
Duration: Jan 6 2020Jan 10 2020

Publication series

NameAIAA Scitech 2020 Forum
Volume1 PartF


ConferenceAIAA Scitech Forum, 2020
Country/TerritoryUnited States

Bibliographical note

Funding Information:
This research is supported by the Air Force Office of Scientific Research (AFOSR) under Grant No. FA9550-19-1-0219, and by the National Aeronautics and Space Administration (NASA) Grant No. 80NSSC19K0220 . The views expressed herein are those of the authors and do not necessarily represent the official policies or endorsements, either expressed or implied, of the AFOSR, NASA, or the US government.

Publisher Copyright:
© 2020, American Institute of Aeronautics and Astronautics Inc, AIAA. All rights reserved.


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