Reduced Polycyclic Aromatic Hydrocarbon Formation Chemical Kinetic Model of Diesel Surrogate Fuel for Homogeneous Charge Compression Ignition Combustion

A reduced mechanism, which could couple with a multi-dimensional
computational fluid dynamics code, was developed for the chemical
kinetics of diesel surrogate fuel oxidation in modeling polycyclic
aromatic hydrocarbon (PAH) formation under homogeneous charge compression
ignition (HCCI) diesel engine conditions. The complete kinetic mechanism,
which comprised 697 reactions and 153 species, was reduced to a minor
mechanism that included only 141 reactions and 75 species using the
sensitivity and reaction path analyses. Validation of the present
mechanism was also performed with experiments from the shock tube
available in the literature, and good agreement between modeling results
of the detailed mechanism in the shock tube and HCCI engine was obtained.
The results showed that this reduced mechanism gave reliable performance
for HCCI combustion predictions. Numerical results also displayed
that those PAH concentrations decreased with the increase of the inlet
air temperature and equivalence ratio.