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The simulation of combustion chemistry in internal combustion engines is challenging due to the need to include detailed reaction mechanisms to describe the engine physics. Computational times needed for coupling full chemistry to CFD simulations are still too computationally demanding, even when distributed computer systems are exploited. For these reasons the present paper proposes a time scale separation approach for the integration of the chemistry differential equations and applies it in an engine CFD code. The time scale separation is achieved through the estimation of a characteristic time for each of the species and the introduction of a sampling timestep, wherein the chemistry is subcycled during the overall integration. This allows explicit integration of the system to be carried out, and the step size is governed by tolerance requirements.

The paper reports the application of Proper Orthogonal Decomposition (POD) to LES calculations for the analysis of combustion and knock tendency in a highly downsized turbocharged GDI engine that is currently under production. In order to qualitatively match the cyclic variability of the combustion process, Large-Eddy Simulation (LES) of the closed-valve portion of the cycle is used with cycle-dependent initial conditions from a previous multi-cycle analysis [1, 2, 3]. Detailed chemical modelling of fuel's auto-ignition quality is considered through an ad-hoc implemented look-up table approach, as a trade-off between the need for a reasonable representation of the chemistry and that of limiting the computational cost of the LES simulations. Experimental tests were conducted operating the engine at knock-limited spark advance (KLSA) and the proposed knock model was previously validated for such engine setup [3].

Computational simulations of the spray combustion and emissions formation processes in a heavy-duty DI diesel engine and in a small-bore DI diesel engine with a complicated injection schedule were performed by using the modified KIVA3V, rel. 2 code. Some initial parameter sets varying engine operating conditions, such as injection pressure, injector nozzle diameter, EGR load, were examined in order to evaluate their effects on the engine performance. Full-scale combustion chamber representations on 360-deg, Cartesian and polar, multiblock meshes with a different number of sprays have been used in the modelling unlike the conventional approach based on polar sector meshes covering the region around one fuel spray. The spray combustion phenomena were simulated using the detailed chemical mechanism for diesel fuel surrogate (69 species and 306 reactions).