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In Homogeneous Charge Compression Ignition (HCCI) engines, fuel oxidation chemistry determines the auto-ignition timing, the heat release, the reaction intermediates, and the ultimate products of combustion. Therefore a model that correctly simulates fuel oxidation at these conditions would be a useful design tool. Detailed models of hydrocarbon fuel oxidation, consisting of hundreds of chemical species and thousands of reactions, when coupled with engine transport process models, require tremendous computational resources. A way to lessen the burden is to use a “skeletal” reaction model, containing only tens of species and reactions. This paper reports an initial effort to extend our skeletal chemical kinetic model of pre-ignition through the entire HCCI combustion process. The model was developed from our existing preignition model, which has 29 reactions and 20 active species, to yield a new model with 69 reactions and 45 active species.

The U.S. Department of Energy (DOE) Office of Advanced Automotive Technologies (OAAT), in partnership with industry, is developing transportation technologies that will improve the energy efficiency of our transportation system. Most OAAT programs are focused exclusively on technology development. However, the twin goals of developing innovative technologies and transferring them to industry led OAAT to realize the growing need for people trained in non-traditional, emerging technologies. The Graduate Automotive Technology Education (GATE) program combines graduate-level education with technology development and transfer by training a new generation of automotive engineers in critical multi-disciplinary technologies, by fostering cooperative research in those technologies, and by transferring those technologies directly to industrial organizations.

A thermophoretic particulate sampling device was used to investigate the detailed morphology and microstructure of diesel particulates at various engine-operating conditions. A 75 HP Caterpillar single-cylinder direct-injection diesel engine was operated to sample particulate matter from the high-temperature exhaust stream. The morphology and microstructure of the collected diesel particulates were analyzed using a high-resolution transmission electron microscope and subsequent image processing/data acquisition system. The analysis revealed that spherical primary particles were agglomerated together to form large aggregate clusters for most of engine speed and load conditions. Measured primary particle sizes ranged from 34.4 to 28.5 nm at various engine-operating conditions. The smaller primary particles observed at high engine-operating conditions were believed to be caused by particle oxidation at the high combustion temperature.

The development of surrogate mixtures that represent gasoline combustion behavior is reviewed. Combustion chemistry behavioral targets that a surrogate should accurately reproduce, particularly for emulating homogeneous charge compression ignition (HCCI) operation, are carefully identified. Both short and long term research needs to support development of more robust surrogate fuel compositions are described. Candidate component species are identified and the status of present chemical kinetic models for these components and their interactions are discussed. Recommendations are made for the initial components to be included in gasoline surrogates for near term development. Components that can be added to refine predictions and to include additional behavioral targets are identified as well. Thermodynamic, thermochemical and transport properties that require further investigation are discussed.

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.

In this study a 1-dimensional computational model of a Fe-Zeolite catalyst, implementing conservation of mass, species and energy for both gas and catalyst surface phases has been developed to simulate emissions conversion performance. It is applied to both a fresh catalyst and one that has been aged through exposure to the exhaust system of a Heavy Duty Diesel engine performing in the field for 376K miles. Details of the chemical kinetics associated with the various NOx reduction reactions in the two Fe-Zeolite configurations have been examined and correlated with data from a synthetic gas rig test bench. It was found that the Standard reaction, (4NH3 + 4NO + O2 → 2N2 + 6H2O), which is one of the main reactions for NOx reduction, degraded significantly at the lower temperatures for the aged system.

Inevitably a fraction of the hydrocarbon fuel in spark ignition engines escapes in-cylinder combustion and flows out with the burned products. Post combustion oxidation in the cylinder and exhaust port may consume a part of this fuel and plays an important role in determining exhaust emission levels. This paper presents results from experiments designed to identify the factors that control post-combustion oxidation. Regulated exhaust components and detailed hydrocarbon species were measured using seven neat hydrocarbons and four blends as fuel. The fuels were selected to compare the relative rates of mixing and chemical kinetics. The results indicate that exhaust temperature, diffusion rates and fuel kinetics each play a complicated role in determining emission levels.

Homogeneous Charge Compression Ignition (HCCI) engines have the possibility of low NOx and particulate emissions and high fuel efficiencies. In HCCI the oxidation chemistry determines the auto-ignition timing, the heat release rate, the reaction intermediates, and the ultimate products of combustion. This paper reports an initial effort to apply our reduced chemical kinetic model to HCCI processes. The model was developed to study the pre-ignition characteristics (pre-ignition heat release and start of ignition) of primary reference fuels (PRF) and includes 29 reactions and 20 active species. The only modifications to the model were to make the proscribed adjustments to the fuel specific rate constants, and to enhance the H2O2 decomposition rate to agree with published data.

An investigation of cyclic variability in a spark ignition engine is reported. Specifically, the predictions of an engine code have been compared with experimental data obtained using a well-characterized SI engine. The engine used for the experimental work and modeled in the code is the single cylinder research engine developed at Sandia National Laboratories and now operating at Drexel University. The data used for comparison were cylinder pressure histories for 110 engine cycles gathered during operation at a single engine operating condition. The code allows the various factors that could influence cyclic variability to be examined independently. Specifically, a model has been used to independently examine the effects of variations in equivalence ratio and of the turbulence intensity on cycle-to-cycle variations in the peak cylinder pressure, the crankangle of occurrence of peak pressure, the flame development angle, and the rapid burning angle.

The role of post-combustion oxidation in influencing exhaust hydrocarbon emissions from spark ignition engines has been identified as one of the major uncertainties in hydrocarbon emissions research [l]*. While we know that post-combustion oxidation plays a significant role, the factors that control the oxidation are not well known. In order to address some of these issues a research program has been initiated at Drexel University. In preliminary studies, seven gaseous fuels: methane, ethane,ethene,propane,propene, n-butane, 1-butene and their blends were used to examine the effect of fuel structure on exhaust emissions. The results of the studies presented in an earlier paper [2] showed that the effect of fuel structure is manifested through its effect on the post-combustion environment and the associated oxidation process. A combination of factors like temperatures, fuel diffusion and reaction rates were used to examine and explain the exhaust hydrocarbon emission levels.

Time resolved exhaust port sampling results show that the gas mixture in the port at exhaust valve closing contains high concentrations of hydrocarbons. These hydrocarbons are mixed with hot in-cylinder gases during blowdown and can react either via gas phase kinetics in the exhaust port/runner system or subsequently on the exhaust catalyst before they are emitted. Studies were conducted on a single cylinder, four stroke engine in our laboratory to determine the interaction between the hot blowdown gases and the hydrocarbons which remain in the exhaust port. A preselected concentration and volume of hydrocarbon tracers (propane, propene, n-butane, and 1-butene) in either oxygen/nitrogen mixtures or pure nitrogen were injected into the exhaust port just behind the exhaust valve to control the initial conditions for any potential oxidation in the port.