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

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

7 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 languageEnglish (US)
Title of host publication2018 Joint Thermophysics and Heat Transfer Conference
PublisherAmerican Institute of Aeronautics and Astronautics Inc, AIAA
ISBN (Print)9781624105524
DOIs
StatePublished - 2018
Event12th AIAA/ASME Joint Thermophysics and Heat Transfer Conference, 2018 - [state] GA, United States
Duration: Jun 25 2018Jun 29 2018

Publication series

Name2018 Joint Thermophysics and Heat Transfer Conference

Other

Other12th AIAA/ASME Joint Thermophysics and Heat Transfer Conference, 2018
CountryUnited States
City[state] GA
Period6/25/186/29/18

Fingerprint Dive into the research topics of 'Implementation of a nitrogen chemical kinetics model based on ab-initio data for hypersonic CFD'. Together they form a unique fingerprint.

  • Cite this

    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 [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