The NUIG C5 v49 mechanism was modified and optimized using the high pressure ethane combustion and pyrolysis data of Tranter et al. As the starting mechanism was based on an optimized H2/CO combustion mechanism and the base chemistry was left unmodified the present mechanism can be considered a good starting candidate for further development towards a comprehensive ethane combustion mechanism. In most cases the rate coefficients proved to be determinable with high precision in the whole temperature range of the experimental conditions. In some cases acceptably precise results were obtained only in limited temperature ranges. The obtained mechanism with the optimized rate parameters described the experiments of Tranter et al. much better than the original mechanism. New rate coefficient expressions were obtained for the 14 reactions with temperature dependent uncertainties recommended for the temperature and pressure ranges above.
ASJC Scopus subject areas
- Chemical Engineering(all)
- Mechanical Engineering
- Physical and Theoretical Chemistry