An assessment of gas-phase reaction mechanisms and soot models for laminar atmospheric-pressure ethylene-air flames

R. S. Mehta, D. C. Haworth, M. F. Modest

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A comprehensive assessment of gas-phase reaction mechanisms and soot models has been performed for atmospheric-pressure laminar ethylene-air flames. Soot modeling is based on a method of moments with interpolative closure. Computed soot volume fractions are compared with experimental measurements for eight flames: four premixed flames from two different burners, and four opposed-flow diffusion flames from two different burners. Seven gas-phase reaction mechanisms have been explored with variations in four key soot model parameters: PAH-based versus acetylene-based nucleation; PAH condensation included versus excluded; surface reactivity steric factor specification; and surface radicals depleted versus conserved. Computed soot volume fractions are most sensitive to variations in the surface reactivity factor and to whether the surface radicals are depleted or conserved. The motivation for this study has been to determine which models should be used for simulations of luminous turbulent flames; there computational efficiency is of paramount importance. A reduced 33-species mechanism together with acetylene-based nucleation, surface reactivity factor variation proposed by [J. Appel, H. Bockhorn, M. Frenklach, Combust. Flame 121 (2000) 122-136], and conserved surface radicals yields acceptable soot volume fractions over a broad range of conditions with an order of magnitude reduction in computational cost compared to a larger 100-species gas-phase reaction mechanism.

Original languageEnglish (US)
Pages (from-to)1327-1334
Number of pages8
JournalProceedings of the Combustion Institute
Volume32 I
Issue number1
StatePublished - 2009
Event32nd International Symposium on Combustion - Montreal, QC, Canada
Duration: Aug 3 2008Aug 8 2008

All Science Journal Classification (ASJC) codes

  • General Chemical Engineering
  • Mechanical Engineering
  • Physical and Theoretical Chemistry


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