Laminar flame speeds and oxidation kinetics of benene-air and toluene-air flames

S. G. Davis, H. Wang, K. Breinsky, Chung King Law

Research output: Contribution to journalArticle

123 Citations (Scopus)

Abstract

Using the counterflow twin-flame technique, the laminar flame speeds of benzene-air and toluene-air mixtures were determined experimentally over an extensive range of equivalence ratios at room temperature and atmospheric pressure. The minimization of stretch effects in the determination of the flame speed was accomplished through both linear and nonlinear extrapolations of the stretched reference flame speed to vanishing stretch, with the nonlinearly extrapolated values being typically 2 cm/s smaller. The laminar flame speeds of toluene were found to be lower than those of benzene, typically by 5-6 cm/s. Numerical simulations of the flame speeds were performed using two reaction mechanisms developed by Emdee, Brezinsky, and Glassman (EBG) and by Lindstedt and Skevis (LS), respectively. Predictions by using both mechanisms were close and were substantially lower than the experimental values. A modified EBG mechanism is then proposed, which adopts a recently measured rate constants of phenyl+O2→ phenoxy+O and takes into account the pressure fall-off for the rate coefficients of several key radical-radical recombination reactions. It is shown that these modifications substantially improve the flame-speed predictions, while minimally affect the available flow-reactor data of benzene and toluene oxidation. The present analysis suggests that the major oxidation pathways of benzene and toluene proposed in the flow-reactor study of Emdee, Brezinsky, and Glassman can account for their oxidation in flames and, therefore, serve as a foundation for a comprehensive model. It further indicates that the development of such a model requires additional studies on the reaction kinetics of phenol and cyclic C5 species.

Original languageEnglish (US)
Pages (from-to)1025-1033
Number of pages9
JournalSymposium (International) on Combustion
Volume26
Issue number1
DOIs
StatePublished - Jan 1 1996

Fingerprint

Toluene
toluene
flames
Benzene
Oxidation
oxidation
Kinetics
air
kinetics
Air
benzene
reactors
recombination reactions
counterflow
Phenol
predictions
Extrapolation
Reaction kinetics
phenols
Phenols

All Science Journal Classification (ASJC) codes

  • Mechanical Engineering
  • Energy Engineering and Power Technology
  • Chemical Engineering(all)
  • Fluid Flow and Transfer Processes
  • Fuel Technology
  • Physical and Theoretical Chemistry

Cite this

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abstract = "Using the counterflow twin-flame technique, the laminar flame speeds of benzene-air and toluene-air mixtures were determined experimentally over an extensive range of equivalence ratios at room temperature and atmospheric pressure. The minimization of stretch effects in the determination of the flame speed was accomplished through both linear and nonlinear extrapolations of the stretched reference flame speed to vanishing stretch, with the nonlinearly extrapolated values being typically 2 cm/s smaller. The laminar flame speeds of toluene were found to be lower than those of benzene, typically by 5-6 cm/s. Numerical simulations of the flame speeds were performed using two reaction mechanisms developed by Emdee, Brezinsky, and Glassman (EBG) and by Lindstedt and Skevis (LS), respectively. Predictions by using both mechanisms were close and were substantially lower than the experimental values. A modified EBG mechanism is then proposed, which adopts a recently measured rate constants of phenyl+O2→ phenoxy+O and takes into account the pressure fall-off for the rate coefficients of several key radical-radical recombination reactions. It is shown that these modifications substantially improve the flame-speed predictions, while minimally affect the available flow-reactor data of benzene and toluene oxidation. The present analysis suggests that the major oxidation pathways of benzene and toluene proposed in the flow-reactor study of Emdee, Brezinsky, and Glassman can account for their oxidation in flames and, therefore, serve as a foundation for a comprehensive model. It further indicates that the development of such a model requires additional studies on the reaction kinetics of phenol and cyclic C5 species.",
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Laminar flame speeds and oxidation kinetics of benene-air and toluene-air flames. / Davis, S. G.; Wang, H.; Breinsky, K.; Law, Chung King.

In: Symposium (International) on Combustion, Vol. 26, No. 1, 01.01.1996, p. 1025-1033.

Research output: Contribution to journalArticle

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