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This paper presents a combined experimental and numerical study of a modified Cooperative Fuel Research (CFR) engine that allows both the Research and Motor octane numbers (RON and MON) of any arbitrary Liquefied Petroleum Gas (LPG) mixture to be determined. The design of the modified engine incorporates modern hardware that enables accurate metering of different LPG mixtures, together with measurement of the in-cylinder pressure, the air-fuel ratio and the engine-out emissions. The modified CFR engine is first used to measure the octane numbers of different LPG mixtures. The measured octane numbers are shown to be similar to the limited data acquired using the now withdrawn Motor (LP) test method (ASTM D2623). The volumetric efficiency, engine-out emissions and combustion efficiency for twelve alternative LPG mixtures are then compared with equivalent data acquired with the standard CFR engine operating on a liquid fuel. Finally, the modified CFR engine is modelled using GT-Power.

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.

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.

Burning velocities for unleaded conventional gasoline (CR-87) and air mixtures were determined experimentally over an extensive range of equivalence ratios at 353 K and 500 K and at atmospheric pressure. Nitrogen dilution effects on the laminar flame speed were also studied for selected equivalence ratios at these same conditions. Experimental measurements employed the stagnation jet-wall flame configuration and Particle Image Velocimetry (PIV). The laminar burning velocity was obtained using linear extrapolation of stretched flame data to zero stretch rate. The measured flame speeds were compared with numerical predictions using a minimized detailed kinetic model for primary reference fuel (PRF) mixtures, which was developed based on stirred reactor, shock tube and flow reactor data.

Controlling start of ignition in Homogenous Charge Compression Ignition (HCCI) engines remains a major challenge. Here we have investigated changes in intake charge composition and its effects on ignition delay for natural gas based HCCI engine operation. In particular, we have investigated the effects of small amounts of nitrogen dioxide (NO2) on operating characteristics. Previous research had shown that NOx presence might attenuate natural gas ignition. The hypothesized catalytic effect of NOx on methane ignition at HCCI conditions was experimentally confirmed in a custom built engine. The problem was further studied in both zero and multidimensional numerical engine simulations with detailed chemistry. The simulations were used to complete a reaction rate sensitivity analysis to elucidate the controlling chemistry, and further confirm that a significant shift in ignition phasing is produced with the addition of just several ppm by volume of NO2 or NOx (NO + NO2).

The influence of the addition of oxygenated hydrocarbons to diesel fuels has been studied, using a detailed chemical kinetic model. Resulting changes in ignition and soot precursor production have been examined. N-heptane was used as a representative diesel fuel, and methanol, ethanol, dimethyl ether, dimethoxymethane and methyl butanoate were used as oxygenated fuel additives. It was found that addition of oxygenated hydrocarbons reduced the production of soot precursors. When the overall oxygen content in the fuel reached approximately 30-40 % by mass, production of soot precursors fell effectively to zero, in agreement with experimental studies. The kinetic factors responsible for these observations are discussed.

The oxidation of surrogate diesel fuels composed of mixtures of three pure hydrocarbons with and without their cetane numbers chemically enhanced using 2-ethylhexyl nitrate (2-EHN) is studied in a variable pressure flow reactor over a temperature range 500 - 900 K, at 12.5 atmospheres and a fixed reaction time of 1.8 sec. Changes in both low temperature, intermediate temperature, and hot ignition chemical kinetic behavior are noted with changes in the fuel cetane number. Differences appear in the product distribution and in heat release generated in the low and intermediate temperature regimes as cetane number is increased. A chemically enhanced cetane fuel shows nearly identical oxidation characteristics to those obtained using pure fuel blends to produce the enhanced cetane value. The decomposition chemistry of 2-EHN was also studied. Pyrolysis data of 10% 2-EHN in n-heptane and toluene are reported.