Abstract
We present gas phase recombination rate constants computed using Quasi Classical Trajectory (QCT) data without a direct appeal to detailed balance. The recombination rate constant is the product of a triple collision rate and a probability of recombination from triple collisions. We evaluate the triple collision rate as a binary collision rate between colliding pairs and third particles using the lifetimes of colliding pairs from QCT simulations. The lifetimes of O + O2 collisions are shown to be much longer than for O + O pairs because the O2 internal modes absorb translational energy and trap the particles in their interaction potential. The recombination probabilities are calculated from three body QCT simulations where, per collision, recombination from O + O + O collisions is shown to be more likely than recombination from O + O + O2 collisions by a factor of ≈ 2. Even so, calculated recombination rate constants are shown to be dominated by O + O + O2 collisions because the triple collision rate involving O + O2 pairs is ≈ 10 times larger.
| Original language | English (US) |
|---|---|
| Title of host publication | AIAA Scitech 2021 Forum |
| Publisher | American Institute of Aeronautics and Astronautics Inc, AIAA |
| Pages | 1-16 |
| Number of pages | 16 |
| ISBN (Print) | 9781624106095 |
| State | Published - 2021 |
| Externally published | Yes |
| Event | AIAA Science and Technology Forum and Exposition, AIAA SciTech Forum 2021 - Virtual, Online Duration: Jan 11 2021 → Jan 15 2021 |
Publication series
| Name | AIAA Scitech 2021 Forum |
|---|---|
| Volume | 1 PartF |
Conference
| Conference | AIAA Science and Technology Forum and Exposition, AIAA SciTech Forum 2021 |
|---|---|
| City | Virtual, Online |
| Period | 1/11/21 → 1/15/21 |
Bibliographical note
Funding Information:The authors would like to express their immense gratitude to Dr. Richard Jaffe at NASA Ames Research Center for his role in this work. Dr. Jaffe was critical to the work’s success as the first author’s summer internship advisor at ARC. This research is supported the National Aeronautics and Space Administration (NASA) grant No. 80NSSC20K1061, and by the Air Force Office of Scientific Research (AFOSR) under Grant No. FA9550-19-1-0219. 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.
Funding Information:
This research is supported the National Aeronautics and Space Administration (NASA) grant No. 80NSSC20K1061, and by the Air Force Office of Scientific Research (AFOSR) under Grant No. FA9550-19-1-0219. 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:
© 2021, American Institute of Aeronautics and Astronautics Inc, AIAA. All rights reserved.