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A 0.5 liter optical HCCI engine firing a mixture of n-heptane (50%) and iso-octane (50%) with air/fuel ratio of 3 is studied using large eddy simulation (LES) and laser diagnostics. Formaldehyde and OH LIF and in-cylinder pressure were measured in the experiments to characterize the ignition process. The LES made use of a detailed chemical kinetic mechanism that consists of 233 species and 2019 reactions. The auto-ignition simulation is coupled with LES by the use of a renormalized reaction progress variable. Systematic LES study on the effect of initial temperature inhomogeneity and turbulence intensity has been carried out to delineate their effect on the ignition process. It was shown that the charge under the present experimental condition would not be ignited without initial temperature inhomogeneity. Increasing temperature inhomogeneity leads to earlier ignition whereas increasing turbulence intensity would retard the ignition.

Numerical simulations of diesel engine combustion and emission formation have been performed using a detailed soot model. Operating conditions typical for modern truck-size engines have been investigated, and calculated results show encouraging agreement with experimental data for soot in engine exhaust gas. Predictions of details in the soot formation process compare well with detailed experimental data from the literature. The modelling of the soot/flow-field interaction is based on a flamelet approach. Source terms of the soot volume fraction are taken from a flamelet library using a presumed probability density function and integrating over mixture fraction space. In order to save computer storage and CPU time, the flamelet library of sources was constructed using a multi-parameter fitting procedure resulting in simple algebraic equations and a proper set of parameters.