Assessment of a PAH-based soot production model in laminar coflow methane diffusion flames doped by gasoline surrogate fuels

This article assesses the capability of the PAH-based soot model developed by the authors and validated in ethylene non-premixed flames to predict soot production in flames fueled with gasoline surrogates. The soot model was coupled to a flamelet model and the Rank-Correlated Full-Spectrum k model to simulate laminar coflow nitrogen-diluted methane/air diffusion flames doped with n-heptane/toluene and iso-octane/toluene mixtures. Consistent with our previous studies, the simulation was conducted using the Kaust Mechanism 1, pyrene as soot precursor, and the same set of model parameters. The model reproduced reasonably-well the peak soot volume fraction. However, the soot production onset was predicted much earlier than measurements owing to the early formation of pyrene induced by the presence of toluene. These discrepancies can be partially corrected by selecting a larger PAH than pyrene with a similar level of concentrations as soot precursor. For the present mechanism, anthanthrene was found to be the best candidate. Model results show that different mechanisms dominate the soot mass growth in ethylene and gasoline surrogate flames. While the HACA is more important in the former, PAH condensation largely prevails in the latter. This suggests that ethylene may be not the most relevant reference fuel for developing semi-empirical soot models for fires. Further investigations are required to confirm this conjecture.