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Detailed chemistry represents a fundamental pre-requisite for a realistic simulation of combustion process in Diesel engines to properly reproduce ignition delay and flame structure (lift-off and soot precursors) in a wide range of operating conditions. In this work, the authors developed reduced mechanisms for n-dodecane starting from the comprehensive kinetic mechanism developed at Politecnico di Milano, well validated and tested in a wide range of operating conditions [1]. An algorithm combining Sensitivity and Flux Analysis was employed for the present skeletal reduction. The size of the mechanisms can be limited to less than 100 species and incorporates the most important details of low-temperature kinetics for a proper prediction of the ignition delay. Furthermore, the high-temperature chemistry is also properly described both in terms of reactivity and species formation, including unsaturated compounds such as acetylene, whose concentration controls soot formation.

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.

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.

Nowadays, green hydrogen can play a crucial role in a successful clean energy transition, thus reaching net zero emissions in the transport sector. Moreover, hydrogen exploitation in internal combustion engines is favoured by its suitable combustion properties and quasi-zero harmful emissions. High flame speeds enable a lean combustion approach, which provides high efficiency and reduces NOx emissions. However, high air flow rates are required to achieve the load levels typical of heavy-duty applications. In this framework, the present study aims to investigate the required boosting system of a 6-cylinder, 13-liter heavy-duty spark ignition engine through 1D numerical simulation. A comparison among various architectures of the turbocharging system and the size of each component is presented, thus highlighting limitations and potentialities of each architecture and providing important insights for the selection of the best turbocharging system.

An innovative 0D predictive combustion model for the simulation of the HRR (heat release rate) in DI diesel engines was assessed and implemented in a 1D fluid-dynamic commercial code for the simulation of a Fiat heavy duty diesel engine equipped with a Variable Geometry Turbocharger system, in the frame of the CORE (CO2 reduction for long distance transport) Collaborative Project of the European Community, VII FP. The 0D combustion approach starts from the calculation of the injection rate profile on the basis of the injected fuel quantities and on the injection parameters, such as the start of injection and the energizing time, taking the injector opening and closure delays into account. The injection rate profile in turn allows the released chemical energy to be estimated. The approach assumes that HRR is proportional to the energy associated with the accumulated fuel mass in the combustion chamber.