Multi-temperature model for reacting air parameterized and verified using first-principles calculations

Erik Torres, Thomas Gross, Thomas E. Schwartzentruber

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

2 Scopus citations

Abstract

In this paper we present recent updates to the Modified Marrone-Treanor thermo chemical non equilibrium model for five-species air, originally developed for computational fluid dynamics calculations of hypersonic flows. The updated (2023) version of the chemistry model used here employs new high-fidelity kinetic rate data for all air reactions (including oxy-gen/nitrogen/nitric oxide dissociation and Zeldovich exchange reactions) derived from quasi-classical trajectory calculations on ab initio potential energy surfaces. We first verify the updated chemistry model against first-principles Direct Molecular Simulations by studying non equilibrium reacting air mixtures in space-homogeneous heat baths representative of high-temperature post-shock conditions. Once validated in these simple scenarios, we employ the model in larger-scale computational fluid dynamics studies of hypersonic flow around a geometry representing a generic flight vehicle. There we compare the Modified Marrone-Treanor predictions against the standard non equilibrium model by Park. This research demon strate show complex non equilibrium chemistry induced by hypersonic flight can be incorporated into accurate and efficient models for large-scale computational fluid dynamics simulations.

Original languageEnglish (US)
Title of host publicationAIAA Aviation and Aeronautics Forum and Exposition, AIAA AVIATION Forum 2023
PublisherAmerican Institute of Aeronautics and Astronautics Inc, AIAA
ISBN (Print)9781624107047
DOIs
StatePublished - 2023
Externally publishedYes
EventAIAA Aviation and Aeronautics Forum and Exposition, AIAA AVIATION Forum 2023 - San Diego, United States
Duration: Jun 12 2023Jun 16 2023

Publication series

NameAIAA Aviation and Aeronautics Forum and Exposition, AIAA AVIATION Forum 2023

Conference

ConferenceAIAA Aviation and Aeronautics Forum and Exposition, AIAA AVIATION Forum 2023
Country/TerritoryUnited States
CitySan Diego
Period6/12/236/16/23

Bibliographical note

Publisher Copyright:
© 2023, American Institute of Aeronautics and Astronautics Inc, AIAA. All rights reserved.

Fingerprint

Dive into the research topics of 'Multi-temperature model for reacting air parameterized and verified using first-principles calculations'. Together they form a unique fingerprint.

Cite this