A state-resolved DSMC recombination model with orbiting-pair cross-sections

Tzu Jung Pan, Sharanya Subramaniam, Chaithanya Kondur, Kelly Stephani

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

Abstract

A state-to-state two-step binary collision (TSBC) recombination model is developed for the rovibrationally coupled database of cross-sections from quasi-classical trajectory (QCT) calculations. The current work contains two parts. In the first part, the two-step binary collision framework has been extended to include a rovibrationally resolved database from our previous work which can only apply to the vibrationally resolved QCT database. In this framework, only the product of orbiting-pair (OP) lifetime and formation cross-section is included in the model, rather than quantifying these parameters individually, in order to determine the overall recombination probability in DSMC. The probability of recombining two oxygen atoms to a specific rovibrational energy level is then determined by applying microscopic reversibility to the corresponding dissociation cross-section. In the second part, the individual OP lifetime and OP formation cross-section are computed based on the interaction potential of two oxygen atoms, which allows for determination of the recombination cross-section directly from the potential energy surface. Good agreement of the computed recombination rate coefficient from the orbiting pair parameters with the literature values is found within the temperature range from T =3000K to 8000K.

Original languageEnglish (US)
Title of host publication31st International Symposium on Rarefied Gas Dynamics, RGD 2018
EditorsDuncan Lockerby, David R. Emerson, Lei Wu, Yonghao Zhang
PublisherAmerican Institute of Physics Inc.
ISBN (Electronic)9780735418745
DOIs
StatePublished - Aug 5 2019
Event31st International Symposium on Rarefied Gas Dynamics, RGD 2018 - Glasgow, United Kingdom
Duration: Jul 23 2018Jul 27 2018

Publication series

NameAIP Conference Proceedings
Volume2132
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Conference

Conference31st International Symposium on Rarefied Gas Dynamics, RGD 2018
CountryUnited Kingdom
CityGlasgow
Period7/23/187/27/18

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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    Pan, T. J., Subramaniam, S., Kondur, C., & Stephani, K. (2019). A state-resolved DSMC recombination model with orbiting-pair cross-sections. In D. Lockerby, D. R. Emerson, L. Wu, & Y. Zhang (Eds.), 31st International Symposium on Rarefied Gas Dynamics, RGD 2018 [070017] (AIP Conference Proceedings; Vol. 2132). American Institute of Physics Inc.. https://doi.org/10.1063/1.5119571