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In this paper, the detailed chemical kinetics was implemented into the three-dimensional CFD code to study the combustion process in HCCI engines. An extended hydrocarbon oxidation reaction mechanism (89 species, 413 reactions) used for high octane fuel was constructed and then used to simulate the chemical process of the ignition, combustion and pollutant formation in HCCI conditions. The three-dimensional CFD / chemistry model (FIRE/CHEMKIN) was validated using the experimental data from a Rapid Compression Machine. The simulation results show good agreements with experiments. Finally, the improved multi-dimensional CFD code has been employed to simulate the intake, spray, combustion and pollution formation process of the gasoline direct injection HCCI engine with multi-stage injection strategy. The models account for intake flow structure, spray atomization, spray/wall interaction, droplet evaporation and gas phase chemistry in complex multi-dimensional geometries.

A conceptual approach to help understand and simulate droplet induced pre-ignition is presented. The complex phenomenon of oil-fuel droplet induced pre-ignition has been decomposed to its elementary processes. This approach helps identify the key fluid properties and engine parameters that affect the pre-ignition phenomenon, and could be used to control LSPI. Based on the conceptual model, a 3D CFD engine simulation has been developed which is able to realistically model all of the elementary processes involved in droplet induced pre-ignition. The simulation was successfully able to predict droplet induced pre-ignition at conditions where the phenomenon has been experimentally observed. The simulation has been able to help explain the observation of pre-ignition advancement relative to injection timing as experimentally observed in a previous study [6].

Gasoline Compression Ignition has been widely studied in recent years. The in-cylinder stratified charge in gasoline Partially Premixed Compression Ignition (PPCI) can extend the high load range with lower pressure rise rate than Homogeneous Charge Compression Ignition (HCCI). However, it is still not clear that whether there is flame propagation in the gasoline compression igntion mode and how the flame propagation influences the combustion process and pollution formation. In order to investigate the effect of flame, several gasoline compression ignition cases, including the single-stage and two-stage heat release processes, are simulated with the KIVA-3V Release 2 code in this study. The G-equation is employed to account for flame propagation, and the reduced i-octane/n-heptane mechanism is used to handle the chemical reactions. The results show that the flame propagation exists in the combustion process and it can accelerate the heat release slightly.