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Multi-dimensional computational efforts using comprehensive and skeletal kinetics have been made to investigate the cool flame region in HCCI combustion. The work was done in parallel to an experimental study that showed the impact of the negative temperature coefficient and the cool flame on the start of combustion using different fuels, which is now the focus of the simulation work. Experiments in a single cylinder CFR research engine with n-butane and a primary reference fuel with an octane number of 70 (PRF 70) were modeled. A comparison of the pressure and heat release traces of the experimental and computational results shows the difficulties in predicting the heat release in the cool flame region. The behavior of the driving radicals for two-stage ignition is studied and is compared to the behavior for a single-ignition from the literature. Model results show that PRF 70 exhibits more pronounced cool flame heat release than n-butane.

A single cylinder CFR research engine has been run in HCCI combustion mode for a range of temperatures and fuel compositions. The data indicate that the best HCCI operation, as measured by a combination of successful combustion with low ISFC, occurs at or near the rich limit of operation. Analysis of the pressure and heat release histories indicated the presence, or absence, and impact of the fuel's NTC ignition behavior on establishing successful HCCI operation. The auto-ignition trends observed were in complete agreement with previous results found in the literature. Furthermore, analysis of the importance of the fuel's octane sensitivity, through assessment of an octane index, successfully explained the changes in the fuels auto-ignition tendency with changes in engine operating conditions.