Detailed Kinetic Modeling of Soot-Particle and Key-Precursor Formation in Laminar Premixed and Counterflow Diffusion Flames of Fossil Fuel Surrogates

Abstract

This study reports a chemical kinetics soot model for combustion of engine-relevant fuels. The scheme accounts for both low- and high-temperature oxidation, considering their crucial role in engine combustion process. The mechanism is validated against several ignition delay times and laminar burning velocities data sets for single and mixtures of hydrocarbons. To assess the mechanism ability to predict soot precursors, formation of aromatic and aliphatic species with critical effects on soot formation is investigated for several laminar premixed and diffusion flames. The model includes soot particle inception, surface growth, coagulation, and aggregation based on the method of moments. The performance of the model is evaluated by predicting the amount of produced soot during heavy alkanes and aromatic species mixtures pyrolysis. The results are encouraging, proving this methodology to be a suitable tool to simulate the all-round combustion features of engine fuel surrogates by a single reaction model.