Kinetic modeling of soot formation with detailed chemistry and physics in premixed hydrocarbon flames

Abstract

The present study reports a detailed kinetic model for soot formation. The model extends the method of moment to include a more complete description of particle coagulation, namely the transition and continuum regimes as well as the formation and growth of fractal aggregates. The model combines recent developments in gas-phase reactions, aromatic chemistry, soot particle nucleation, coagulation, condensation, surface growth and oxidation. The model was tested against experimental profiles of major and minor chemical species, aromatics, soot volume fractions, and soot particle diameters reported in the literature for two premixed flames of hydrocarbon. The numerical agreement between the model predictions and experimental data is generally within a factor of 0.138. This level of agreement is very encouraging, considering the current uncertainties in the thermodynamics and kinetics of aromatics and soot chemistry.