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Computational fluid dynamic (CFD) simulations that include realistic combustion/emissions chemistry hold the promise of significantly shortening the development time for advanced high-efficiency, low-emission engines. However, significant challenges must be overcome to realize this potential. This paper discusses these challenges in the context of diesel combustion and outlines a technical program based on the use of surrogate fuels that sufficiently emulate the chemical complexity inherent in conventional diesel fuel.

This paper describes the motivation for developing hydrogen-fueled engines for use in hybrid electric vehicles of the future. The ultimate motivation for using hydrogen as an energy carrier is carbon management. However, air quality concerns also provide motivation for developing hydrogen-fueled vehicles. For this reason, we discuss the position of the hydrogen-powered hybrid vehicle within the California Air Resources Board requirement for Zero Emission Vehicles. We describe the expected performance of an electrical generation system powered by a four-stroke, spark-ignited, internal combustion engine for a hydrogen-powered hybrid vehicle. The data show that the engine-out emissions of NOx will allow the vehicle to operate below the Super Ultra-Low Emission Vehicle standard set by the California Air Resources Board. The engine can run on either hydrogen or blends of hydrogen and natural gas. The engine can be optimized for maximum efficiency with low emissions.

Autoignition enhancing additives have been used for years to enhance the ignition quality of diesel fuel, with 2-ethylhexyl nitrate (EHN) being the most common additive. EHN also enhances the autoignition reactivity of gasoline, which has advantages for some low-temperature combustion techniques, such as Sandia’s Low-Temperature Gasoline Combustion (LTGC) with Additive-Mixing Fuel Injection (AMFI). LTGC-AMFI is a new high-efficiency and low-emissions engine combustion process based on supplying a small, variable amount of EHN into the fuel for better engine operation and control. However, the mechanism by which EHN interacts with the fuel remains unclear. In this work, a chemical-kinetic mechanism for EHN was developed and implemented in a detailed mechanism for gasoline fuels. The combined mechanism was validated against shock-tube experiments with EHN-doped n-heptane and HCCI engine data for EHN-doped regular E10 gasoline. Simulations showed a very good match with experiments.