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In this work, an efficient and unified combustion model is introduced to simulate the flame propagation, diffusion-controlled combustion, and chemically-driven ignition in both SI and CI engine operation. The unified model is constructed upon a G-equation model which addresses the premixed flame propagation. The concept of the Livengood-Wu integral is used with tabulated ignition delay data to account for the chemical kinetics which is responsible for the spontaneous ignition of fuel-air mixture. A set of rigorously defined operations are used to couple the evolution of the G scalar field and the Livengood-Wu integral. The diffusion-controlled combustion is simulated equivalent to applying the Burke-Schumann limit. The combined model is tested in the simulation of the premixed SI combustion in a constant volume chamber, as well as the CI combustion in a conventional small bore diesel engine.

A new approach of NOx reduction in the compression-ignition engine is introduced in this work. The previous research has shown that during the combustion stage, the high temperature ignition tends to occur early at the near-stoichiometric region where the combustion temperature is high and majority of NOx is formed; Therefore, it is desirable to burn the leaner region first and then the near-stoichiometric region, which inhibits the temperature rise of the near-stoichiometric region and consequently suppresses the formation of NOx. Such inverted ignition sequence requires mixture with inverted phi-sensitivity. Fuel selection is performed based on the criteria of strong ignition T-sensitivity, negligible negative temperature coefficient (NTC) behavior, and large heat of vaporization (HoV).

A multi-step acetone-butanol-ethanol (ABE) phenomenological soot model was proposed and implemented into KIVA-3V Release 2 code. Experiments were conducted in an optical constant volume combustion chamber to investigate the combustion and soot emission characteristics under the conditions of 1000 K initial temperature with various oxygen concentrations (21%, 16%, 11%). Multi-dimensional computational fluid dynamics (CFD) simulations were conducted in conjunction under the same operation conditions. The predicted soot mass traces showed good agreement with experimental data. As ambient oxygen decreased from 21% to 11%, ignition delay retarded and the distribution of temperature became more homogenous. Compared to 21% ambient oxygen, the peak value of total soot mass at 16% oxygen concentration was higher due to the suppressed soot oxidation mechanism.