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An experimental and theoretical work on the low temperature oxidation of n-heptane in a jet stirred reactor has been carried out at different inlet temperatures. The presence of the typical low temperature pathologies of hydrocarbons (slow combustion, periodic and dumped cool flames) have been observed experimentally and correctly reproduced by the model. The selectivities of the intermediate and final products are also measured and compared with the theoretical evaluations. The agreement is satisfactory for all the investigated species in the whole temperature range (550–800 K). The introduction of 40% (volume) in the fuel has allowed to investigate the antiknock effect of toluene on the autoignition of n-heptane. At the same inlet temperature the n-heptane conversion shows the same general behaviour, but it is about 10% lower when toluene is fed in the mixture.

Aim of this work is to present and discuss the possibility and the limits of two zone models for spark-ignition engines using a detailed kinetic scheme for the characterization of the evolution of the air-fuel mixture, while an equilibrium approach is used for the burnt zone. Simple experimental measurements of knocking tendency of different fuels in ideal reactors, such as rapid compression machines and shock tube reactors, cannot be directly used for the analysis of octane numbers and sensitivity of hydrocarbon mixtures. Thus a careful investigation is very useful, not only of the combustion chamber behavior, including the modelling of the turbulent flame front propagation, but also of the fluid dynamic behavior of the intake and exhaust system, accounting for the volumetric efficiency of the engine.

This work presents a general model for the prediction of octane numbers and knock propensity of different fuels in SI engines. A detailed kinetic scheme of hydrocarbon oxidation is coupled with a two zone, 1-D thermo-fluid dynamic simulation code (GASDYN) [1]. The validation of the kinetic scheme is discussed on the basis of recent experimental measurements. CFR engine simulations for RON and MON evaluation are presented first to demonstrate the capabilities of the coupled model. The model is then used to compare the knock propensity of a gasoline “surrogate” (a pure hydrocarbon mixture) and PRFs in a current commercial engine, resulting in a simulation of “real world” octane number determination, such as Bench Octane Number (BON). The simulation results agree qualitatively with typical experimental trends.

Aim of this work is to develop a general purpose model for combustion and knocking prediction in SI engines, by coupling a thermo-fluid dynamic model for engine simulation with a general detailed kinetic scheme, including the low-temperature oxidation mechanism, for the prediction of the auto-ignition behavior of hydrocarbons. A quasi-D approach is used to describe the in-cylinder thermodynamic processes, applying the conservation of mass and energy over the cylinder volume, modeled as a single open system. The complex chemistry model has been embedded into the code, by using the same integration algorithm for the conservation equations and the reacting species, and taking into account their mutual interaction in the energy balance. A flame area evolution predictive approach is used to evaluate the turbulent flame front propagation as function of the engine operating parameters.

A 1-D thermo-fluid dynamic simulation code, including a quasi-D combustion model coupled with a detailed kinetic scheme, is used to analyze the combustion process in HCCI engines. The chemical mechanism has previously been validated in comparison with experimental data over a wide range of operating conditions. To explore the impact on model predictions, the cylinder was divided into multiple zones to characterize the conditions of the in-cylinder charge. Particular attention is devoted to the numerical algorithm in order to ensure the robustness and efficiency of the large system solution. This numerical model allows study of the autoignition of the air fuel mixture and determines the chemical evolution of the system. The proposed model was compared with in-cylinder temperature and chemical species profiles. The experimental activity was carried out in the combustion chamber of a single cylinder air cooled engine operating in HCCI mode.