Hybrid reduced order model for N2-N interactions for application to dissociation and energy transfer processes

Robyn L. MacDonald; Richard L. Jaffe; Marco Panesi

doi:10.1063/1.5119638

Hybrid reduced order model for N₂-N interactions for application to dissociation and energy transfer processes

Robyn L. MacDonald, Richard L. Jaffe, Marco Panesi

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Abstract

This work presents a general framework for model reduction of non-equilibrium energy transfer and dissociation processes. The multi-group maximum-entropy method is coupled with the quasi-classical trajectory method to directly construct a reduced order model for chemical non-equilibrium. Kinetic data is calculated by applying detailed balance at a microscopic level, overcoming the limitation of calculating recombination kinetic data. This approach enables the construction of a reduced order model for kinetics which bypasses the need to compute state-to-state kinetic data. This physics based reduced order model ensures that an equilibrium distribution is reached given infinite time, while allowing for non-equilibrium distributions during the relaxation and dissociation processes. A proof-of-concept test case demonstrates the applicability of this model by comparison with state-to-state kinetic data for the N2(X1ςg+)-N(4Su) system with excellent agreement.

Original language	English (US)
Title of host publication	31st International Symposium on Rarefied Gas Dynamics, RGD 2018
Editors	Duncan Lockerby, David R. Emerson, Lei Wu, Yonghao Zhang
Publisher	American Institute of Physics Inc.
ISBN (Electronic)	9780735418745
DOIs	https://doi.org/10.1063/1.5119638
State	Published - Aug 5 2019
Event	31st International Symposium on Rarefied Gas Dynamics, RGD 2018 - Glasgow, United Kingdom Duration: Jul 23 2018 → Jul 27 2018

Publication series

Name	AIP Conference Proceedings
Volume	2132
ISSN (Print)	0094-243X
ISSN (Electronic)	1551-7616

Conference

Conference	31st International Symposium on Rarefied Gas Dynamics, RGD 2018
Country/Territory	United Kingdom
City	Glasgow
Period	7/23/18 → 7/27/18

ASJC Scopus subject areas

General Physics and Astronomy

Online availability

10.1063/1.5119638

Library availability

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Cite this

MacDonald, R. L., Jaffe, R. L., & Panesi, M. (2019). Hybrid reduced order model for N₂-N interactions for application to dissociation and energy transfer processes. In D. Lockerby, D. R. Emerson, L. Wu, & Y. Zhang (Eds.), 31st International Symposium on Rarefied Gas Dynamics, RGD 2018 Article 140004 (AIP Conference Proceedings; Vol. 2132). American Institute of Physics Inc.. https://doi.org/10.1063/1.5119638

Hybrid reduced order model for N₂-N interactions for application to dissociation and energy transfer processes. / MacDonald, Robyn L.; Jaffe, Richard L.; Panesi, Marco.
31st International Symposium on Rarefied Gas Dynamics, RGD 2018. ed. / Duncan Lockerby; David R. Emerson; Lei Wu; Yonghao Zhang. American Institute of Physics Inc., 2019. 140004 (AIP Conference Proceedings; Vol. 2132).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

MacDonald, RL, Jaffe, RL & Panesi, M 2019, Hybrid reduced order model for N₂-N interactions for application to dissociation and energy transfer processes. in D Lockerby, DR Emerson, L Wu & Y Zhang (eds), 31st International Symposium on Rarefied Gas Dynamics, RGD 2018., 140004, AIP Conference Proceedings, vol. 2132, American Institute of Physics Inc., 31st International Symposium on Rarefied Gas Dynamics, RGD 2018, Glasgow, United Kingdom, 7/23/18. https://doi.org/10.1063/1.5119638

MacDonald, Robyn L. ; Jaffe, Richard L. ; Panesi, Marco. / Hybrid reduced order model for N₂-N interactions for application to dissociation and energy transfer processes. 31st International Symposium on Rarefied Gas Dynamics, RGD 2018. editor / Duncan Lockerby ; David R. Emerson ; Lei Wu ; Yonghao Zhang. American Institute of Physics Inc., 2019. (AIP Conference Proceedings).

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abstract = "This work presents a general framework for model reduction of non-equilibrium energy transfer and dissociation processes. The multi-group maximum-entropy method is coupled with the quasi-classical trajectory method to directly construct a reduced order model for chemical non-equilibrium. Kinetic data is calculated by applying detailed balance at a microscopic level, overcoming the limitation of calculating recombination kinetic data. This approach enables the construction of a reduced order model for kinetics which bypasses the need to compute state-to-state kinetic data. This physics based reduced order model ensures that an equilibrium distribution is reached given infinite time, while allowing for non-equilibrium distributions during the relaxation and dissociation processes. A proof-of-concept test case demonstrates the applicability of this model by comparison with state-to-state kinetic data for the N2(X1ςg+)-N(4Su) system with excellent agreement.",

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note = "Ms. R. Macdonald was supported by the Department of Defense (DoD) through the National Defense Science \& Engineering Graduate Fellowship (NDSEG) Program. Dr. M. Panesi was supported by the Air Force O ce of Scientific Research Young Investigators Program FA9550-15-1-0132 with Program O cer Dr. Ivett Leyva. The views and conclusions contained herein are those of the authors and should not be interpreted as necessarily representing the o cial policies or endorsements, either expressed or implied, of the AFOSR or the US government.; 31st International Symposium on Rarefied Gas Dynamics, RGD 2018 ; Conference date: 23-07-2018 Through 27-07-2018",

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