Investigation of ethane pyrolysis and oxidation at high pressures using global optimization based on shock tube data

Viktor Samu, Tamás Varga, Kenneth Brezinsky, T. Turányi

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)691-698
Number of pages8
JournalProceedings of the Combustion Institute
Volume36
Issue number1
DOIs
Publication statusPublished - 2017

Fingerprint

Ethane
Shock tubes
shock tubes
Global optimization
ethane
pyrolysis
Pyrolysis
Oxidation
oxidation
optimization
Temperature
Carbon Monoxide
temperature
coefficients
chemistry
Experiments

Keywords

  • Ethane oxidation
  • Ethane pyrolysis
  • High-pressure shock tube
  • Mechanism optimization
  • Uncertainty of rate parameters

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Mechanical Engineering
  • Physical and Theoretical Chemistry

Cite this

Investigation of ethane pyrolysis and oxidation at high pressures using global optimization based on shock tube data. / Samu, Viktor; Varga, Tamás; Brezinsky, Kenneth; Turányi, T.

In: Proceedings of the Combustion Institute, Vol. 36, No. 1, 2017, p. 691-698.

Research output: Contribution to journalArticle

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