Open-source direct simulation Monte Carlo chemistry modeling for hypersonic flows

Scanlon, T. J., White, C. , Borg, M. K., Palharini, R. C., Farbar, E., Boyd, I. D., Reese, J. M. and Brown, R. E. (2015) Open-source direct simulation Monte Carlo chemistry modeling for hypersonic flows. AIAA Journal, 53(6), pp. 1670-1680. (doi:10.2514/1.J053370)

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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.

Item Type:Articles
Status:Published
Refereed:Yes
Glasgow Author(s) Enlighten ID:White, Dr Craig and Brown, Prof Richard
Authors: Scanlon, T. J., White, C., Borg, M. K., Palharini, R. C., Farbar, E., Boyd, I. D., Reese, J. M., and Brown, R. E.
College/School:College of Science and Engineering > School of Engineering > Aerospace Sciences
Journal Name:AIAA Journal
Publisher:American Institute of Aeronautics and Astronautics, Inc.
ISSN:0001-1452
ISSN (Online):1533-385X
Copyright Holders:Copyright © 2014 American Institute of Aeronautics and Astronautics, Inc.
First Published:First published in AIAA Journal 53(6):1670-1680
Publisher Policy:Reproduced in accordance with the copyright policy of the publisher.

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