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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.

Recent measurements by Siebers et al. have shown that the flame of a high pressure Diesel spray stabilizes under quiescent conditions at a location downstream of the fuel injector. The effects of various ambient and injection parameters on the flame “lift-off” length have been investigated under typical Diesel conditions in a constant-volume combustion vessel. In the present study, the experiments of Siebers et al. have been modeled using a modified version of the KIVA-3V engine simulation code. Fuel injection and spray breakup are modeled using the KH-RT model that accounts for liquid surface instabilities due to the Kelvin-Helmholtz and Rayleigh-Taylor mechanisms. Combustion is simulated using Convergent Thinking's recently developed detailed transient chemistry solver (SAGE) that allows for any number of chemical species and reactions to be modeled.