Partial fuel stratification (PFS) is a low temperature combustion strategy that can alleviate high heat release rates of traditional low temperature combustion strategies by introducing compositional stratification in the combustion chamber using a split fuel injection strategy. In this study, a three-dimensional computational fluid dynamics (CFD) model with large eddy simulations and reduced detailed chemistry was used to model partial fuel stratification at three different stratified conditions. The double direct injection strategy injects 80% of the total fuel mass at −300 CAD aTDC and the remaining 20% of the fuel mass is injected at three different timings of −160, −50, −35 CAD to create low, medium, and high levels of compositional stratification, respectively. The PFS simulations were validated using experiments performed at Sandia National Laboratories on a single-cylinder research engine that operates on RD5-87, a research-grade E10 gasoline. The objective of this study is to compare the performance of three different reduced chemical kinetic mechanisms, namely SKM1, SKM2, and SKM3, at the three compositional stratification levels and identify the most suitable mechanism to reproduce the experimental data. Zero-dimensional chemical kinetic simulations were also performed to further understand differences in performance of the three reduced chemical kinetic mechanisms to explain variations in CFD derived heat release profiles. The modeling results indicate that SKM3 is the most suitable mechanism for partial fuel stratification modeling of research-grade gasoline. The results also show that the autoignition event progresses from the richer to the leaner compositional regions in the combustion chamber. Notably, the leaner regions that have less mass per unit volume, can contribute disproportionately more toward heat release as there are more cells at leaner equivalence ratio ranges. Overall, this study illuminates the underlying compositional stratification phenomena that control the heat release process in PFS combustion.
Advanced Low Temperature Combustion modes, such as the Sandia proposed Additive-Mixing Fuel Injection (AMFI), can unlock significant potential to boost fuel conversion efficiency and ultimately improve the energy conversion of internal combustion engines. This is a novel improved combustion process that is enabled by supplying small (<5%) variable amounts of autoignition improver to the fuel to enhance the engine operation and control. Common, diesel-fuel ignition-quality enhancing additive, 2-ethylexyl nitrate (EHN), is doped into gasoline to enable Sandia LTGC + AMFI combustion. This manuscript focuses on the development of a reduced sub-mechanism for EHN chemical kinetics at engine relevant conditions that is implemented into a skeletal mechanism for chemical kinetic studies of gasoline surrogate fuels. The mechanism validation utilized zero-dimensional numerical simulations and comparison to shock tube ignition-delay data of pure and EHN-doped n-heptane. Additional validation is presented with Homogeneous Charge Compression-Ignition (HCCI) engine data of pure and EHN-doped research-grade E10 gasoline. Then, the mechanism was deployed in a 3-D computational fluid dynamics (CFD) using Large Eddy Simulations (LES) to model the HCCI engine experiments of 0.4% vol EHN additized E10 gasoline at several equivalence ratios. Simulations showed a very good performance of the mechanism, and the model accurately reproduced (a) the ignition point, (b) combustion phasing, (c) combustion duration, and (d) the peak of the heat release rates of the engine experiments. The results show that EHN promotes Low-Temperature Heat Release, ultimately driving the gasoline to autoignite at thermodynamic conditions where the fuel would not otherwise ignite. Overall, this work demonstrates a viable reduced chemical-kinetic mechanism for EHN and shows that it can be combined with a skeletal gasoline mechanism for CFD-LES analysis of well-mixed LTGC that matches well with experimental results. The CFD-LES analysis also shows the spatial distribution of EHN-fuel interactions that control the autoignition throughout the combustion chamber.
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