A new thermodeactivation model for soot surface reactivity toward O2 in turbulent hydrocarbon diffusion flames

Abstract

ABSTRACT Accurate soot modeling in flames is one important tool contributing to an understanding of soot behavior in combustion. Soot models reflect the four principal processes that govern soot dynamics: nucleation, coagulation, surface growth, and oxidation. Existing oxidation models reflect both the temperature-dependent surface oxidation chemical kinetics and also the fact that the surfaces become less reactive as they age. This surface deactivation process has been modeled primarily by using in-flame soot measurements as a basis for developing functional forms and parameters to describe the decay of α, the ratio of active oxidation sites divided by total surface sites. These existing models, in general, overpredict oxidation rates in turbulent diffusion flames. This study presents an alternative soot aging factor model that is based on the analogous process of coal char oxidation deactivation, a well-studied problem. The proposed framework provides a basis for application to a wide range of turbulent diffusion flames. This new model is configured to provide the same parameter α that appears in existing approaches. As such it can be easily applied to the existing published models. The approach is implemented in the fixed-pivot sectional soot model, with the performance compared against literature data for ethylene/air turbulent diffusion flames. With only very minor adjustment from the baseline parameters developed for coal char, the model shows good agreement with the literature flame data.