@inproceedings{47485667bcd941f88698e7e7e10675b9,
title = "A state-resolved DSMC recombination model with orbiting-pair cross-sections",
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.",
author = "Pan, {Tzu Jung} and Sharanya Subramaniam and Chaithanya Kondur and Kelly Stephani",
note = "Publisher Copyright: {\textcopyright} 2019 Author(s).; 31st International Symposium on Rarefied Gas Dynamics, RGD 2018 ; Conference date: 23-07-2018 Through 27-07-2018",
year = "2019",
month = aug,
day = "5",
doi = "10.1063/1.5119571",
language = "English (US)",
series = "AIP Conference Proceedings",
publisher = "American Institute of Physics Inc.",
editor = "Duncan Lockerby and Emerson, {David R.} and Lei Wu and Yonghao Zhang",
booktitle = "31st International Symposium on Rarefied Gas Dynamics, RGD 2018",
}