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Knock is a major bottleneck to achieving higher thermal efficiency in spark ignition (SI) engines. The overall tendency to knock is highly dependent on fuel anti-knock quality as well as engine operating conditions. It is, therefore, critical to gain a better understanding of fuel-engine interactions in order to develop robust knock mitigation strategies. In the present work, a numerical model based on three-dimensional (3-D) computational fluid dynamics (CFD) was developed to capture knock in a Cooperative Fuel Research (CFR) engine. For combustion modeling, a hybrid approach incorporating the G-equation model to track turbulent flame propagation, and a homogeneous reactor multi-zone model to predict end-gas auto-ignition ahead of the flame front and post-flame oxidation in the burned zone, was employed.

Numerical simulations of soot formation were performed for n-dodecane spray using the transported probability density function (TPDF) method. Liquid n-dodecane was injected with 1500 bar fuel pressure into a constant-volume vessel with an ambient temperature, oxygen volume fraction and density of 900 K, 15% and 22.8 kg/m3, respectively. The interaction by exchange with the mean (IEM) model was employed to close the micro-mixing term. The unsteady Reynolds-averaged Navier-Stokes (RANS) equations coupled with the realizable k-ε turbulence model were used to provide turbulence information to the TPDF solver. A 53-species reduced n-dodecane chemical mechanism was employed to evaluate the reaction rates. Soot formation was modelled with an acetylene-based two-equation model which accounts for simultaneous soot particle inception, surface growth, coagulation and oxidation by O2 and OH.