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The chemistry of unburned hydrocarbon oxidation in SI engine exhaust was modeled as a function of temperature and concentration of unburned gas for lean and rich mixtures. Detailed chemical kinetic mechanisms were used to model isothermal reactions of unburned fuel/air mixture in an environment of burned gases at atmospheric pressure. Simulations were performed using five pure fuels (methane, ethane, propane, n-butane and toluene) for which chemical kinetic mechanisms and steady state hydrocarbon (HC) emissions data were available. A correlation is seen between reaction rates and HC emissions for different fuels. Calculated relative amounts of intermediate oxidation products are shown to be consistent with experimental measurements.

Numerical calculations of the fuel spray structure from a high-pressure swirl injector were used to enable the interpretation of experimental observations obtained in hot, hollow-cone fuel sprays issued into sub-atmospheric-pressure environments. The experiments show that the spray becomes narrower, more compact, but with a relatively long penetration depth. Model input parameters, including the droplet size distribution, early vapor production, and initial cone angle, were modified to determine which spray characteristics are important in recreating observed spray structures. A very small mean droplet diameter is needed to recreate the experimentally observed structure of the high-temperature, low-pressure sprays. Vapor addition to the emerging spray is then required to increase the axial penetration and provide the observed vapor core.