Simulation of Soot Size Distribution in a Counterflow Flame
Abstract Soot formed during the rich combustion of fossil fuels is an undesirable pollutant and health hazard. A newly developed Monte Carlo method is used to simulate the soot formation in a counterflow diffusion flame of ethylene. The simulation uses a new reaction mechanism available in literature, which focuses on modeling the formation of large polycyclic aromatic hydrocarbons (PAHs) up to coronene (C24H12). Nascent soot particles are assumed to form from the collision of eight different PAH molecules. Soot surface growth includes the hydrogen-abstraction-C2H2-addition mechanism and the condensation of the PAHs. Soot coagulation is in the free-molecular regime because particles are small (not more than a hundred nanometer). The coupling between vapor consumption and soot formation is handled by an interpolative moment method. Soot particle diffusion is found negligible throughout the counterflow flame, except for a very narrow region right around the stagnation plane. The soot particle size distribution (PSD) generally exhibits a bimodal shape. The first peak corresponds to a large number of nascent particles, while the second peak results from the competition between nucleation and coagulation. Surface growth affects the PSD quantitatively, but does not change the modality. A comparison with experimental data is also provided.