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

Scanlon, Thomas J. and White, Craig and Borg, Matthew K. and Palharini, Rodrigo C. and Farbar, Erin and Boyd, Iain D. and Reese, Jason M. and Brown, Richard E. (2015) Open source Direct Simulation Monte Carlo (DSMC) chemistry modelling for hypersonic flows. AIAA Journal, 53 (6). pp. 1670-1680. ISSN 0001-1452

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    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.