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The long-term goal of this work is to develop a conceptual model for multiple injections of diesel jets. The current work contributes to that effort by performing a detailed modeling investigation into mechanisms that are predicted to control 1st and 2nd stage ignition in single-pulse diesel (n-dodecane) jets under different conditions. One condition produces a jet with negative ignition dwell that is dominated by mixing-controlled heat release, and the other, a jet with positive ignition dwell and dominated by premixed heat release. During 1st stage ignition, fuel is predicted to burn similarly under both conditions; far upstream, gases at the radial-edge of the jet, where gas temperatures are hotter, partially react and reactions continue as gases flow downstream. Once beyond the point of complete fuel evaporation, near-axis gases are no longer cooled by the evaporation process and 1st stage ignition transitions to 2nd stage ignition.

This research investigates how the handling of mixing and heat transfer in a multi-zone kinetic solver affects the prediction of carbon monoxide and hydrocarbon emissions for simulations of HCCI engine combustion. A detailed kinetics multi-zone model is now more closely coordinated with the KIVA3V computational fluid dynamics code for simulation of the compression and expansion processes. The fluid mechanics is solved with high spatial and temporal resolution (40,000 cells). The chemistry is simulated with high temporal resolution, but low spatial resolution (20 computational zones). This paper presents comparison of simulation results using this enhanced multi-zone model to experimental data from an isooctane HCCI engine.