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Designing advanced, clean and fuel-efficient engines requires detailed understanding of fuel chemistry. While knowledge of fuel combustion chemistry has grown rapidly in recent years, the representation of conventional fossil fuels in full detail is still intractable. A popular approach is to use a model-fuel or surrogate blend that can mimic various characteristics of a conventional fuel. Despite the use of surrogate blends, there remains a gap between detailed chemistry and its utilization in computational fluid dynamics (CFD), due to the prohibitive computational cost of using thousands of chemical species in large numbers of computational cells. This work presents a set of software tools that help to enable the use of detailed chemistry in representing conventional fuels in CFD simulation. The software tools include the Surrogate Blend Optimizer and a suite of automated mechanism reduction strategies.

To address the growing need for accurate predictions of combustion phasing and emissions for development of advanced engines, a more accurate definition of model fuels and their associated chemical-kinetics mechanisms are necessary. Wide variations in street fuels require a model-fuel blending methodology to allow simulation of fuel-specific characteristics, such as ignition timing, emissions, and fuel vaporization. We present a surrogate-blending technique that serves as a practical modeling tool for determination of surrogate blends specifically tailored to different real-fuel characteristics, with particular focus on model fuels for gasoline engine simulation. We start from a palette of potential model-fuel components that are based on the characteristic chemical classes present in real fuels. From this palette, components are combined into a surrogate-fuel blend to represent a real fuel with specific fuel properties.