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Detailed chemistry and turbulence-chemistry interaction need to be properly taken into account for a realistic combustion simulation of IC engines where advanced combustion modes, multiple injections and stratified combustion involve a wide range of combustion regimes and require a proper description of several phenomena such as auto-ignition, flame stabilization, diffusive combustion and lean premixed flame propagation. To this end, different approaches are applied and the most used ones rely on the well-stirred reactor or flamelet assumption. However, well-mixed models do not describe correctly flame structure, while unsteady flamelet models cannot easily predict premixed flame propagation and triple flames. A possible alternative for them is represented by transported probability density functions (PDF) methods, which have been applied widely and effectively for modeling turbulent reacting flows under a wide range of combustion regimes.

A new multi-zone model for the simulation of HCCI engine is here presented. The model includes laminar and turbulent diffusion and conduction exchange between the zones and the last improvements on the numerical aspects. Furthermore, a new strategy for the zone discretization is presented, which allows a better description of the near-wall zones. The aim of the work is to provide a fast and reliable model for carrying out chemical analysis with detailed kinetic schemes. A preliminary sensitivity analysis allows to verify that 10 zones are a convenient number for a good compromise between the computational effort and the description accuracy. The multi-zone predictions are then compared with the CFD ones to find the effective turbulence parameters, with the aim to describe the near-wall phenomena, both in a reactive and non-reactive cases.

Multi-dimensional models represent today consolidated tools to simulate the combustion process in HCCI and diesel engines. Various approaches are available for this purpose, it is however widely accepted that detailed chemistry represents a fundamental prerequisite to obtain satisfactory results when the engine runs with complex injection strategies or advanced combustion modes. Yet, integrating such mechanisms generally results in prohibitive computational cost. This paper presents a comprehensive methodology for fast and efficient simulations of combustion in internal combustion engines using detailed chemistry. For this purpose, techniques to tabulate the species reaction rates and to reduce the chemical mechanisms on the fly have been coupled.