Picture of scraped petri dish

Scrape below the surface of Strathprints...

Explore world class Open Access research by researchers at the University of Strathclyde, a leading technological university.

Explore

Thermochemistry modelling in an open-source DSMC code

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.

[img] Microsoft Word
Scanlon_TJ_et_al_Pure_Thermochemistry_modelling_in_an_open_source_DSMC_code_Oct_2011.docx - Draft Version

Download (458kB)

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.