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A fundamental understanding of the relationship between chemical composition and combustion quality may provide an improved means of assessing fuel combustion characteristics. As such, a fuel parameter based on the average molecular structure of multi-component fuels, including petroleum-derived fuels and alternative fuels such as bio-fuel, is applied to predict both ignition and anti-knock quality. This parameter is derived from proton nuclear magnetic resonance (1H-NMR) analysis indicating hydrogen type distribution of fuel molecules. The predicted cetane number (PCN) calculated by the equation developed with 1H-NMR in this study shows a good correlation to the cetane number for a wide range of fuels.

Selected as an alternative diesel fuel based on consideration regarding the relationship between the fuel molecular structure and exhaust emission and criteria as alternative fuels, Dimethylacetal (DMA) was evaluated in both a direct injection (DI) diesel and a Direct Fuel Injection Impingement Diffusion Combustion Diesel (OSKA-D) engines. Since DMA with a 1% commercial-type cetane improver has 53 for the cetane number, no ignition-assist divice such as a spark plug is needed, unlike methanol. According to the DI diesel engine test, the NOx emission for DMA was almost equal to that for hydrocarbon diesel fuel, but smoke for DMA was much lower than that for diesel fuel. The OSKA-D engine test showed that NOx emission for DMA was much lower than that for diesel fuel and smoke emission for DMA was zero under all engine conditions.

A feasibility study of an LPG DI diesel engine has been carried out to study the effectiveness of two selected cetane enhancing additives: Di-tertiary-butyl peroxide (DTBP) and 2-Ethylhexyl nitrate (EHN). When more than either 5 wt% DTBP or 3.5 wt% 2EHN was added to the base fuel (100 % butane), stable engine operation over a wide range of engine loads was possible (BMEPs of 0.03 to 0.60 MPa). The thermal efficiency of LPG fueled operation was found to be comparable to diesel fuel operation at DTBP levels over 5 wt%. Exhaust emissions measurements showed that NOx and smoke levels can be significantly reduced using the LPG+DTBP fuel blend compared to a light diesel fuel at the same experimental conditions. Correlations were derived for the measured ignition delay, BMEP, and either DTBP concentration or cetane number. When propane was added to a butane base fuel, the ignition delay became longer.