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)

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, Dr 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 > Autonomous Systems and Connectivity
• 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.