Open source Direct Simulation Monte Carlo (DSMC) chemistry modelling for hypersonic flows

Thomas J. Scanlon, Craig White, Matthew K. Borg, Rodrigo C. Palharini, Erin Farbar, Iain D. Boyd, Jason M. Reese, Richard E. Brown

Research output: Contribution to journalArticle

45 Citations (Scopus)

Abstract

An open source implementation of chemistry modelling for the direct simulation
Monte Carlo (DSMC) method is presented. Following the recent work of Bird [1] an approach known as the quantum kinetic (Q-K) method has been adopted to describe chemical reactions in a 5-species air model using DSMC procedures based on microscopic gas information. The Q-K technique has been implemented within the framework of the dsmcFoam code, a derivative of the open source CFD code OpenFOAM. Results for vibrational relaxation, dissociation and exchange reaction rates for an adiabatic bath demonstrate the success of the Q-K model when compared with analytical solutions for both inert and reacting conditions. A comparison is also made between the Q-K and total collision energy (TCE) chemistry approaches for a hypersonic flow benchmark case.
LanguageEnglish
Pages1670-1680
Number of pages11
JournalAIAA Journal
Volume53
Issue number6
Early online date9 Apr 2015
DOIs
Publication statusPublished - 30 Jun 2015

Fingerprint

Hypersonic Flow
Direct Simulation Monte Carlo
Hypersonic flow
Open Source
Chemistry
Kinetics
Modeling
Birds
Reaction Rate
Kinetic Model
Chemical Reaction
Reaction rates
Chemical reactions
Ion exchange
Analytical Solution
Computational fluid dynamics
Collision
Gases
Benchmark
Derivatives

Keywords

  • DSMC
  • open source
  • Chemistry
  • non-equilibrium flow
  • rarefied gas
  • hypersonic flow
  • OpenFOAM

Cite this

Scanlon, T. J., White, C., Borg, M. K., Palharini, R. C., Farbar, E., Boyd, I. D., ... Brown, R. E. (2015). Open source Direct Simulation Monte Carlo (DSMC) chemistry modelling for hypersonic flows. AIAA Journal, 53(6), 1670-1680. https://doi.org/10.2514/1.J053370
Scanlon, Thomas J. ; White, Craig ; Borg, Matthew K. ; Palharini, Rodrigo C. ; Farbar, Erin ; Boyd, Iain D. ; Reese, Jason M. ; Brown, Richard E. / Open source Direct Simulation Monte Carlo (DSMC) chemistry modelling for hypersonic flows. In: AIAA Journal. 2015 ; Vol. 53, No. 6. pp. 1670-1680.
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Scanlon, TJ, White, C, Borg, MK, Palharini, RC, Farbar, E, Boyd, ID, Reese, JM & Brown, RE 2015, 'Open source Direct Simulation Monte Carlo (DSMC) chemistry modelling for hypersonic flows' AIAA Journal, vol. 53, no. 6, pp. 1670-1680. https://doi.org/10.2514/1.J053370

Open source Direct Simulation Monte Carlo (DSMC) chemistry modelling for hypersonic flows. / Scanlon, Thomas J.; White, Craig; Borg, Matthew K.; Palharini, Rodrigo C.; Farbar, Erin; Boyd, Iain D.; Reese, Jason M.; Brown, Richard E.

In: AIAA Journal, Vol. 53, No. 6, 30.06.2015, p. 1670-1680.

Research output: Contribution to journalArticle

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Scanlon TJ, White C, Borg MK, Palharini RC, Farbar E, Boyd ID et al. Open source Direct Simulation Monte Carlo (DSMC) chemistry modelling for hypersonic flows. AIAA Journal. 2015 Jun 30;53(6):1670-1680. https://doi.org/10.2514/1.J053370