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Hydrotreated vegetable oil (HVO) is a high-cetane number alternative fuel with the potential of drastic emissions reductions in high-pressure diesel engines. In this study the behavior of HVO sprays is investigated computationally and compared with conventional diesel fuel sprays. The simulations are performed with a modified version of the C++ open source code OpenFOAM using Reynolds-averaged conservation equations for mass, species, momentum and energy. The turbulence has been modeled with a modified version of the RNG k-ε model. In particular, the turbulence interaction between the droplets and the gas has been accounted for by introducing appropriate source terms in the turbulence model equations. The spray simulations reflect the setup of the constant-volume combustion cell from which the experimental data were obtained.

Three-dimensional diesel engine combustion simulations with single-step chemistry have been compared with two-step and three-step chemistry by means of the Laminar and Turbulent Characteristic Time Combustion model using the Star-CD program. The second reaction describes the oxidation of CO and the third reaction describes the combustion of H2. The comparisons have been performed for two heavy-duty diesel engines. The two-step chemistry was investigated for a purely kinetically controlled, for a mixing limited and for a combination of kinetically and mixing limited oxidation. For the latter case, two different descriptions of the laminar reaction rates were also tested. The best agreement with the experimental cylinder pressure has been achieved with the three-step mechanism but the differences with respect to the two-step and single-step reactions were small.

A modified version of the Laminar and Turbulent Characteristic Time combustion model and the Hiroyasu-Magnussen soot model have been implemented in the flow solver Star-CD. Combustion simulations of three DI diesel engines, utilizing the standard k-ε turbulence model and a modified version of the RNG k-ε turbulence model, have been performed and evaluated with respect to combustion performance and emissions. Adjustments of the turbulent characteristic combustion time coefficient, which were necessary to match the experimental cylinder peak pressures of the different engines, have been justified in terms of non-equilibrium turbulence considerations. The results confirm the existence of a correlation between the integral length scale and the turbulent time scale. This correlation can be used to predict the combustion time scale in different engines.

A computational design of experiments was constructed to analyze two basic nozzle designs. Several geometric features of the nozzles such as cavity height, exit orifice area, turbulence generator area and exit orifice position in addition to the pressure differential across the injector were used in a 2k factorial design study. Performance characteristic which were analyzed in an analysis of variance study included the discharge coefficient. atomization efficiency and predicted spray pattern. The computational design of experiments revealed which of the studied parameters had the greatest influence on a given nozzle performance characteristic. These results were compared to a similar investigation which was later performed experimentally from which similar conclusions were drawn.