Thermochemistry modelling in an open-source DSMC code

Thomas Scanlon, Craig White, Matthias Schuebler, Richard Brown, Jason Reese

Research output: Contribution to conferencePaper

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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.
Original languageEnglish
Number of pages7
Publication statusPublished - 17 Jul 2011
Event28th International Symposium on Shock Waves - Manchester, United Kingdom
Duration: 17 Jul 201122 Jul 2011

Conference

Conference28th International Symposium on Shock Waves
CountryUnited Kingdom
CityManchester
Period17/07/1122/07/11

Keywords

  • open source
  • modelling
  • DSMC
  • thermochemistry
  • quantum kinetic method
  • adiabatic bath

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