Numerical Simulation of PAHs Formation and Effect of Operating Conditions in DI-Diesel Engines Based on a Comprehensive Chemical Mechanism

Three-dimensional numerical simulations of polycyclic aromatic hydrocarbon (PAH) formation in a Chaochai 6102bzl direct injection diesel engine are performed. n-Heptane is chosen as the fuel. A detailed mechanism, which includes 108 species and 572 elementary reactions that describe n-heptane oxidation and PAH formation, is proposed. A reduced kinetic mechanism, with only 86 reactions and 57 species, is developed and incorporated into computational fluid dynamics (CFD) software for the numerical simulations. Results show that PAHs, which were mostly deposited at the bottom of the diesel combustion chamber wall, first increased and then decreased with the increase in diesel crank angle. Furthermore, the diesel engine operating conditions (intake vortex intensity, intake air pressure, fuel injection advance angle, diesel load, and engine speed) had a significant effect on PAH formation.