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

doi:10.2514/1.J053370

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

Mechanical And Aerospace Engineering

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

101 Citations (Scopus)

925 Downloads (Pure)

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.

Original language	English
Pages (from-to)	1670-1680
Number of pages	11
Journal	AIAA Journal
Volume	53
Issue number	6
Early online date	9 Apr 2015
DOIs	https://doi.org/10.2514/1.J053370
Publication status	Published - 30 Jun 2015

Keywords

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

Access to Document

10.2514/1.J053370

Scanlon-etal-AIAA-J-2015-Open-source-DSMC-chemistry-modelling-hypersonic-flows-Jan-2014Accepted author manuscript, 1.91 MB

International Collaboration Sabbatical - Beyond Navier-Stokes: computational gas dynamics for rarefied flow technologies
Scanlon, T. (Principal Investigator)
EPSRC (Engineering and Physical Sciences Research Council)
16/01/12 → 15/01/13
Project: Research
Non-Equilibrium Fluid Dynamics for Micro/Nano Engineering Systems
Reese, J. (Principal Investigator)
EPSRC (Engineering and Physical Sciences Research Council)
1/01/11 → 16/02/16
Project: Research

ARCHIE-WeSt (UOSHPC)
Martin, R. (Manager)
University Of Strathclyde
Facility/equipment: Facility

Cite this

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title = "Open source Direct Simulation Monte Carlo (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 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.",

keywords = "DSMC, open source , Chemistry, non-equilibrium flow, rarefied gas, hypersonic flow, OpenFOAM",

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

year = "2015",

month = jun,

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doi = "10.2514/1.J053370",

language = "English",

volume = "53",

pages = "1670--1680",

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TY - JOUR

T1 - Open source Direct Simulation Monte Carlo (DSMC) chemistry modelling for hypersonic flows

AU - Scanlon, Thomas J.

AU - White, Craig

AU - Borg, Matthew K.

AU - Palharini, Rodrigo C.

AU - Farbar, Erin

AU - Boyd, Iain D.

AU - Reese, Jason M.

AU - Brown, Richard E.

PY - 2015/6/30

Y1 - 2015/6/30

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 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 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.

KW - DSMC

KW - open source

KW - Chemistry

KW - non-equilibrium flow

KW - rarefied gas

KW - hypersonic flow

KW - OpenFOAM

U2 - 10.2514/1.J053370

DO - 10.2514/1.J053370

M3 - Article

SN - 0001-1452

VL - 53

SP - 1670

EP - 1680

JO - AIAA Journal

JF - AIAA Journal

IS - 6

ER -

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

Abstract

Keywords

Access to Document

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Projects

International Collaboration Sabbatical - Beyond Navier-Stokes: computational gas dynamics for rarefied flow technologies

Non-Equilibrium Fluid Dynamics for Micro/Nano Engineering Systems

Equipment

ARCHIE-WeSt (UOSHPC)

Cite this