Open Source DSMC Chemistry Modelling for Hypersonic Flows

T. J. Scanlon; Craig White; Matthew Borg; Rodrigo C. Palharini; erin farbar; iain boyd; Jason Reese; Richard Brown

doi:10.2514/1.J053370

Open Source DSMC Chemistry Modelling for Hypersonic Flows

T. J. Scanlon, Craig White, Matthew Borg, Rodrigo C. Palharini, erin farbar, iain boyd, Jason Reese, Richard Brown

School of Engineering

Research output: Contribution to journal › Article › peer-review

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 implementation in dsmcFoam 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.

Original language	English
Pages (from-to)	1670
Number of pages	1680
Journal	AIAA Journal
Volume	53
Issue number	6
DOIs	https://doi.org/10.2514/1.J053370
Publication status	Published - Nov 2015

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ScanlonEtAlAIAAJ2015Accepted author manuscript, 1.62 MB

http://arc.aiaa.org/doi/abs/10.2514/1.J053370

3 Finished

Fluid-Net: Edinburgh Fluid Dynamics Group
Viola, I. M., Reese, J., Hoskins, P., Vanneste, J., Leimkuhler, B., Berera, A., Morozov, A., Haszeldine, S., Tett, S. & Bethune, I.
30/06/14 → 30/06/15
Project: University Awarded Project Funding
The First Open-Source Software for Non-Continuum Flows in Engineering
Reese, J. & Borg, M.
EPSRC
1/10/13 → 31/03/18
Project: Research
Non-Equilibrium Fluid Dynamics for Micro/Nano Engineering Systems
Reese, J., Lockerby, D. A., Emerson, D. R. & Borg, M.
1/01/11 → 16/02/16
Project: Project from a former institution

Cite this

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title = "Open Source DSMC Chemistry Modelling for Hypersonic Flows",

abstract = "An open source implementation of chemistry modelling for the direct simulationMonte 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 implementation in dsmcFoam 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.",

author = "Scanlon, {T. J.} and Craig White and Matthew Borg and Palharini, {Rodrigo C.} and erin farbar and iain boyd and Jason Reese and Richard Brown",

year = "2015",

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doi = "10.2514/1.J053370",

language = "English",

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pages = "1670",

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publisher = "American Institute of Aeronautics and Astronautics",

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T1 - Open Source DSMC Chemistry Modelling for Hypersonic Flows

AU - Scanlon, T. J.

AU - White, Craig

AU - Borg, Matthew

AU - Palharini, Rodrigo C.

AU - farbar, erin

AU - boyd, iain

AU - Reese, Jason

AU - Brown, Richard

PY - 2015/11

Y1 - 2015/11

N2 - An open source implementation of chemistry modelling for the direct simulationMonte 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 implementation in dsmcFoam 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.

AB - An open source implementation of chemistry modelling for the direct simulationMonte 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 implementation in dsmcFoam 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.

U2 - 10.2514/1.J053370

DO - 10.2514/1.J053370

M3 - Article

VL - 53

SP - 1670

JO - AIAA Journal

JF - AIAA Journal

SN - 0001-1452

IS - 6

ER -

Open Source DSMC Chemistry Modelling for Hypersonic Flows

Abstract

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Projects

Fluid-Net: Edinburgh Fluid Dynamics Group

The First Open-Source Software for Non-Continuum Flows in Engineering

Non-Equilibrium Fluid Dynamics for Micro/Nano Engineering Systems

Cite this