Implementation of a nitrogen chemical kinetics model based on ab-initio data for hypersonic CFD

Ross S. Chaudhry; Narendra Singh; Maninder S. Grover; Thomas E. Schwartzentruber; Graham V. Candler

doi:10.2514/6.2018-3439

Implementation of a nitrogen chemical kinetics model based on ab-initio data for hypersonic CFD

Ross S. Chaudhry, Narendra Singh, Maninder S. Grover, Thomas E. Schwartzentruber, Graham V. Candler

Aerospace Engineering and Mechanics

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

17 Scopus citations

Abstract

Existing chemical kinetics models in state-of-the-art CFD result in predictions that are not fully consistent with direct molecular simulations (DMS) based on ab-initio data. Progress toward the development and implementation of a chemical kinetics model based on a microscopic description of the gas behavior is presented. A consistent comparison between DMS and CFD is desired, so electronic energy is excluded from the CFD calculations. The model for change in vibrational energy due to dissociation is found to be important, especially for isothermal simulations. Several other individual factors are also examined. Incorporating rates derived from Boltzmann distributions results in an overprediction of the DMS dissociation rate. Capturing the depletion of vibrationally-excited molecules is found to be necessary.

Original language	English (US)
Title of host publication	2018 Joint Thermophysics and Heat Transfer Conference
Publisher	American Institute of Aeronautics and Astronautics Inc, AIAA
ISBN (Print)	9781624105524
DOIs	https://doi.org/10.2514/6.2018-3439
State	Published - 2018
Event	12th AIAA/ASME Joint Thermophysics and Heat Transfer Conference, 2018 - [state] GA, United States Duration: Jun 25 2018 → Jun 29 2018

Publication series

Name	2018 Joint Thermophysics and Heat Transfer Conference

Other

Other	12th AIAA/ASME Joint Thermophysics and Heat Transfer Conference, 2018
Country/Territory	United States
City	[state] GA
Period	6/25/18 → 6/29/18

Bibliographical note

Funding Information:
This work was sponsored by the Air Force Office of Scientific Research under grant FA9550-16-1-0161. The views and conclusions contained herein are those of the authors and should not be interpreted as necessarily representing the official policies or endorsements, either expressed or implied, of the funding agencies or the U.S. Government. The authors thank Ioannis Nompelis for his help fitting the electronically-excluded enthalpy for N2.

Publisher Copyright:
© 2018, American Institute of Aeronautics and Astronautics Inc, AIAA. All rights reserved.

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Chaudhry, R. S., Singh, N., Grover, M. S., Schwartzentruber, T. E., & Candler, G. V. (2018). Implementation of a nitrogen chemical kinetics model based on ab-initio data for hypersonic CFD. In 2018 Joint Thermophysics and Heat Transfer Conference Article AIAA 2018-3439 (2018 Joint Thermophysics and Heat Transfer Conference). American Institute of Aeronautics and Astronautics Inc, AIAA. https://doi.org/10.2514/6.2018-3439

Implementation of a nitrogen chemical kinetics model based on ab-initio data for hypersonic CFD. / Chaudhry, Ross S.; Singh, Narendra; Grover, Maninder S. et al.
2018 Joint Thermophysics and Heat Transfer Conference. American Institute of Aeronautics and Astronautics Inc, AIAA, 2018. AIAA 2018-3439 (2018 Joint Thermophysics and Heat Transfer Conference).

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

Chaudhry, RS, Singh, N, Grover, MS, Schwartzentruber, TE & Candler, GV 2018, Implementation of a nitrogen chemical kinetics model based on ab-initio data for hypersonic CFD. in 2018 Joint Thermophysics and Heat Transfer Conference., AIAA 2018-3439, 2018 Joint Thermophysics and Heat Transfer Conference, American Institute of Aeronautics and Astronautics Inc, AIAA, 12th AIAA/ASME Joint Thermophysics and Heat Transfer Conference, 2018, [state] GA, United States, 6/25/18. https://doi.org/10.2514/6.2018-3439

Chaudhry RS, Singh N, Grover MS, Schwartzentruber TE , Candler GV. Implementation of a nitrogen chemical kinetics model based on ab-initio data for hypersonic CFD. In 2018 Joint Thermophysics and Heat Transfer Conference. American Institute of Aeronautics and Astronautics Inc, AIAA. 2018. AIAA 2018-3439. (2018 Joint Thermophysics and Heat Transfer Conference). doi: 10.2514/6.2018-3439

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AB - Existing chemical kinetics models in state-of-the-art CFD result in predictions that are not fully consistent with direct molecular simulations (DMS) based on ab-initio data. Progress toward the development and implementation of a chemical kinetics model based on a microscopic description of the gas behavior is presented. A consistent comparison between DMS and CFD is desired, so electronic energy is excluded from the CFD calculations. The model for change in vibrational energy due to dissociation is found to be important, especially for isothermal simulations. Several other individual factors are also examined. Incorporating rates derived from Boltzmann distributions results in an overprediction of the DMS dissociation rate. Capturing the depletion of vibrationally-excited molecules is found to be necessary.

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Implementation of a nitrogen chemical kinetics model based on ab-initio data for hypersonic CFD

Abstract

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