A new detailed kinetic model for surrogate fuels: C3MechV3.3

There is an increasing demand for kinetic models of surrogate components to predict the combustion and emissions real fuels. In this paper, a new fuel mechanism, C3MechV3.3, proposed by Computational Chemistry Consortium (C3). This mechanism constructed based on C0 – C4 core with important species interest in complex surrogates such as hexane isomers, n-heptane, iso-octane, nC8 nC12 linear alkanes well polycyclic aromatic hydrocarbons (PAHs) NOx pollutants. model consists latest chemistry subsets developed different partners context C3 effort. The was tested against comprehensive set experimental data various fuels blends over wide range temperatures, pressures, dilutions equivalence ratios. Overall, shows good predictions most data. particular, focus validation natural gas/n-alkanes, primary reference (PRF) toluene (TPRF) mixtures. Due large size processing tool abstract reactions generate any particular multi- mechanisms smaller which can be used preliminary reduction.