Development of a 5-component gasoline surrogate model using recent advancements in the detailed H2/O2/CO/C1-C3 mechanism for decoupling methodology

Abstract In the present work, a 5-component gasoline surrogate chemical kinetic mechanism has been developed and validated. The first novelty of this is that recently advanced H2/O2/CO/C1 detailed sub-mechanism adopted for accurately predicting laminar flame speeds over wide range operating conditions C2-C3 used due to its potential benefits on accurate propagation simulation in order overcome drawbacks original decoupling methodology. second sub-mechanisms propyne allene which are important soot formation from non-aromatics have improved significantly. For each five components (iso-octane, n-heptane, iso-hexane, 1-hexene, toluene) skeletal sub-mechanism, determines ignition delay times, constructed species C4-Cn. coupled with new sub-mechanisms. Together reduced NOx (oxides nitrogen) 214 1233 reactions, feasible currently CFD engine combustion, emissions, knock. were validated selected experimental data speeds, profiles literature. reaction rate constants optimized work match available either pure fuels or fuel blends, including real fuels. validation results show prediction accuracy can be less than 5% various blends under pressure 1.0–80.0 bar, temperature 300–1260 K, an equivalence ratio 0.5–2.5.