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Recently, several promising biomass-derived fuels for diesel engines have been identified, produced, and tested. Diesel engine experiments confirmed very low soot and low nitrogen oxide emissions. With regard to further improvements of the combustion system, it is desirable to complement the diesel engine experiments with numerical simulations. To date, this is hindered by the lack of suitable chemical reaction mechanisms for these novel fuels. Therefore, a surrogate approach is presented here and applied in computational fluid dynamics simulations. Combustion and pollutant formation is simulated using the representative interactive flamelet model. Ignition, combustion, and pollutant formation are described in a consistent manner by inclusion of detailed reaction chemistry. Different mixtures of n-heptane, toluene, ethanol, dimethylether, ethane, and phenol are employed to describe the combustion chemistry of the biofuels. The compositions of the surrogate fuels are compiled according to hydrogen/carbon ratio, oxygen content, cetane rating, and molecular properties of the experimental fuels. Spray, injection, and evaporation properties of the experimental fuels, as obtained from spray vessel experiments, are included in the computational fluid dynamics simulations. By systematic comparison of experimental and numerical results, the surrogate methodology is validated and an improved understanding of the limitations of the current surrogates is achieved. Thus, a methodology for the fast adoption of novel fuels for simulations is proposed that can be used regardless of the availability of specific chemical reaction mechanisms.

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