A soot particle surface reactivity model applied to a wide range of laminar ethylene/air flames

The effect of soot surface reactivity, in terms of the evolution of sites on the soot particles' surface available for reaction with gas phase species, is investigated via modeling numerous ethylene/air flames, using a detailed combustion and sectional soot particle dynamics model. A new definition of a particles' age is introduced. A methodology has been developed to study soot particle surface reactivity. Subsequently, it is investigated if the surface reactivity can be correlated with the particle age. An exponential function giving a smooth transition of surface activity with particle age is employed to model a variety of ethylene/air flames, which differ in fuel stream dilution levels, fuel stream premixing, and burner configurations. Excellent agreement with measured soot volume fractions of a variety of flames, burners, and datasets could be obtained with this approach. The newly developed function based on particle age eliminates the need to fit soot surface growth parameters to each experimental condition. Finally, the applicability and limitation of the new surface reactivity function for use in detailed soot formation models is discussed. (C) 2014 The Combustion Institute. Published by Elsevier Inc. All rights reserved.