Abstract
A detailed chemical reaction model for the growth of polycyclic aromatic hydrocarbons and soot particle nucleation and growth is presented. The model begins with fuel pyrolysis, followed by the formation of polycyclic aromatic hydrocarbons, their “planar” growth and coagulation into spherical particles, and finally, surface growth and oxidation of the particles. The surface processes are described in terms of elementary chemical reactions of surface active sites. The method of moments is used to express the mathematical formalism of the undergoing chemical and physical processes. A new submodel is presented which is capable of calculating the optical properties of an arbitrary ensemble of soot particles. Computer simulations with this model are in quantitative agreement with experimental results from several laminar premixed hydrocarbon flames. The model predicts the classical picture of soot particle inception and the classical description of soot particle structure.
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