Thermochemistry modelling in an open-source DSMC code

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Scanlon, Thomas and White, Craig and Schuebler, Matthias and Brown, Richard and Reese, Jason (2011) Thermochemistry modelling in an open-source DSMC code. In: 28th International Symposium on Shock Waves, 2011-07-17 - 2011-07-22.

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Abstract

This paper describes the implementation and validation of a Direct Simulation Monte Carlo (DSMC) thermochemistry model using the open-source C++ DSMC code, dsmcFoam. An approach, known as the quantum kinetic (QK) method, has been adopted to describe chemical reactions using DSMC procedures based solely on microscopic gas information. Results for vibrational relaxation and dissociation reaction rates for a single cell, adiabatic bath demonstrate the successful implementation of the QK model when compared with analytical solutions and numerical results from other contemporary DSMC codes.

ORCID iDs

Scanlon, Thomas ORCID logoORCID: https://orcid.org/0000-0002-6819-9277, White, Craig, Schuebler, Matthias, Brown, Richard ORCID logoORCID: https://orcid.org/0000-0003-2754-5871 and Reese, Jason ORCID logoORCID: https://orcid.org/0000-0001-5188-1627;
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