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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. The essential components of such a program are discussed and include: (a) surrogate component selection; (b) the acquisition or estimation of requisite elementary chemical kinetic, thermochemical, and physical property data; (c) the development of accurate predictive chemical kinetic models, together with the measurement of the necessary fundamental laboratory data to validate these mechanisms; and (d) mechanism reduction tools to render the coupled chemistry/flow calculations feasible. In parallel to these efforts, the need exists to develop similarly robust models for fuel injection and spray processes involving multicomponent mixtures of wide distillation character, as well as methodologies to include all of these high fidelity submodels in computationally efficient CFD tools. Near- and longerterm research plans are proposed based on an application target of premixed diesel combustion. In the near term, the recommended surrogate components include n-decane, iso-octane, methylcyclohexane, and toluene. For the longer term, n-hexadecane, heptamethylnonane, n-decylbenzene, and 1-methylnaphthalene are proposed.

Development of an Experimental Database and Kinetic Models for Surrogate Diesel Fuels