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The thermal cracking and polyaromatic hydrocarbon (PAH) formation processes of dimethyl ether (DME), ethanol, and ethane were investigated with chemical kinetics to determine the soot formation mechanism of oxygenated fuels. The modeling analyzed three processes, an isothermal constant pressure condition, a temperature rising condition under a constant pressure, and an unsteady condition approximating diesel combustion. With the same mole number of oxygen atoms, the DME rich mixtures form much carbon monoxide and methane and very little non-methane HC and PAH, in comparison with ethanol or ethane mixtures. This suggests that the existence of the C-C bond promotes the formation of PAH and soot.

The fundamental parameters related to engine combustion and performances, such as, heating value, theoretical air-fuel ratio, adiabatic flame temperature, carbon dioxide (CO2), and nitric oxide (NO) emissions, specific heat and engine thermal efficiency were investigated with computations for a wide range of oxygenated fuels. The computed results showed that almost all of the above combustion-related parameters are closely related to oxygen content in the fuels regardless of the kinds or chemical structures of oxygenated fuels. An interesting finding was that with the increase in oxygen content in the fuels NO emission decreased linearly, and the engine thermal efficiency was almost unchanged below oxygen content of 30 wt-% but gradually decreased above 30 wt-%.

Direct injection of various ignition suppressors, including water, methanol, ethanol, 1-propanol, hydrogen, and methane, was implemented to control ignition timing and expand the operating range in an HCCI engine with induced DME as the main fuel. Ultra-low NOx and smoke-less combustion was realized over a wide operating range. The reaction suppressors reduced the rate of low-temperature oxidation and consequently delayed the onset of high-temperature oxidation. Analysis of the chemical kinetics showed a reduction of OH radical in the premixed charge with the suppressors. Among the ignition suppressors, alcohols had a greater impact on OH radical reduction resulting in stronger ignition suppression. Although water injection caused a greater lowering of the temperature, which also suppressed ignition, the strong chemical effect of radical reduction with methanol injection resulted in the larger impact on suppression of oxidation reaction rates.

Light naphtha, which exhibits two-stage ignition, was induced from the intake manifold for ignition enhancement and a low ignitability fuel or water, which does not exhibit low temperature oxidation, was directly injected early in the compression stroke for ignition suppression in an HCCI engine. Their quantitative balance was flexibly controlled to optimize ignition timing according to operating condition. Ultra-low NOx and smokeless combustion without knocking or misfiring was realized over a wide operating range. Alcohols inhibit low temperature oxidation more strongly than other oxygenated or unoxygenated hydrocarbons, water, and hydrogen. Chemical kinetic modeling for methanol showed a reduction of OH radical concentration before the onset of low temperature oxidation, and this may be the main mechanism by which alcohols inhibit low temperature oxidation.

In order to obtain improved combustion of methanol in a dual fuel diesel engine, both methanol and gas oil as an auxiliary fuel were injected into a pre-combustion chamber. The effects of proportion and timing of the auxiliary fuel injection, and the main injection timing on the engine performance and on emissions were investigated. As a result, with methanol 95% of total energy input, combustion took place without misfiring or knocking. The combustion was smokeless, smoother, with lower NOx, and lower noise than for usual combustion with gas oil. The thermal efficiency was maintained at the same level as in conventional diesel operation.