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High fidelity engine simulation requires realistic fuel models. Although typical automotive fuels consist of more than few hundreds of hydrocarbon species, researches show that the physical and chemical properties of the real fuels could be represented by appropriate surrogate fuel models. It is desirable to represent the fuel using the same set of physical and chemical surrogate components. However, when the reaction mechanisms for a certain physical surrogate component is not available, the chemistry of the unmatched physical component is described using that of a similar chemical surrogate component at the expense of accuracy. In order to reduce the prediction error while maintaining the computational efficiency, a method of on-the-fly reactivity adjustment (ReAd) of chemical reaction mechanism along with fuel re-distribution based on reactivity is presented and tested in this study.

A 2-D computational model was developed to describe the flow and filtration processes, in a honeycomb structured ceramic diesel particulate trap. This model describes the steady state trap loading, as well as the transient behavior of the flow and filtration processes. The theoretical model includes the effect of a copper fuel additive on trap loading and transient operation. The convective terms were based on a 2-D analytical flow field solution derived from the conservation of mass and momentum equations. The filtration theory incorporated in the time dependent numerical code included the diffusion, inertia, and direct interception mechanisms. Based on a measured upstream particle size distribution, using the filtration theory, the downstream particle size distribution was calculated. The theoretical filtration efficiency, based on particle size distribution, agreed very well (within 1%) with experimental data for a number of different cases.

Physical, chemical, and biological characterization data for the particulate emissions from a Caterpillar 3208 diesel engine with and without Corning porous ceramic particulate traps are presented. Measurements made at EPA modes 3,4,5,9,lO and 11 include total hydrocarbon, oxides of nitrogen and total particulate matter emissions including the solid fraction (SOL), soluble organic fraction (SOF) and sulfate fraction (SO4), Chemical character was defined by fractionation of the SOF while biological character was defined by analysis of Ames Salmonella/ microsome bioassay data. The trap produced a wide range of total particulate reduction efficiencies (0-97%) depending on the character of the particulate. The chemical character of the SOF was significantly changed through the trap as was the biological character. The mutagenic specific activity of the SOF was generally increased through the trap but this was offset by a decrease in SOF mass emissions.