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In this work a detailed model to simulate the transient behavior of catalytic converters is presented. The model is able to predict the unsteady and reacting flows in the exhaust ducts, by solving the system of conservation equations of mass, momentum, energy and transport of reacting chemical species. The en-gine and the intake system have not been included in the simulation, imposing the measured values of mass flow, gas temperature and chemical composition as a boundary condition at the inlet of the exhaust system. A detailed analysis of the diffusion stage triggering is proposed along with simplifications of the physics, finalized to the reduction of the calculation time. Submodels for water condensation and its following evaporation on the monolith surface have been taken into account as well as oxygen storage promoted by ceria oxides.

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.

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.

This work describes an experimental and numerical investigation of the thermal transient of i.c. engine exhaust systems. A prototype of exhaust system has been investigated during a NEDC cycle in two different configurations. Firstly an uncoated catalyst has been adopted to consider only the effect of the gas-wall heat transfer. The measurements have been repeated on the same exhaust system equipped with a coated catalyst to point out the contribution of the chemical reactions to the thermal transient of the system. The measured values have been compared to the predicted results carried out with a 1D thermo fluid dynamic code, developed in-house to account for the thermal transient of the system and the chemical reactions occurring in the catalyst.

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.

The paper describes the development and validation of a quasi-dimensional multi-zone combustion model for Gasoline Direct Injection engines. The model has been embedded in the 1D thermo-fluid-dynamic code for the simulation of the whole engine system named GASDYN and developed by the authors [1, 2 and 3]. The GDI engine combustion model solves mass, energy and species equations using a 4th order Runge-Kutta integration method; the fuel spray is initially divided into a number of zones fixed regardless of the injected amount and the time step, considering the following break-up, droplet evaporation and air entrainment in each single zone. Experimental correlations have been used for the spray penetration and spatial information. Once the ignition begins it is assumed that the flame propagates spherically, evaluating its velocity by means of a fractal combustion approach and considering the local air-fuel ratio, which is the result of the spray evolution within the combustion chamber.

The paper describes the research work carried out on the thermo-fluid dynamic modeling of an S.I. engine coupled to the vehicle in order to predict the engine and tailpipe emissions during the ECE European driving cycle. The numerical code GASDYN has been extended to simulate the engine + vehicle operation during the first 90 seconds of the NEDC driving cycle, taking account of the engine and exhaust system warm-up after the cold start. The chemical composition of the engine exhaust gas is calculated by means of a thermodynamic multi-zone combustion model, augmented by kinetic emission sub-models for the prediction of pollutant emissions. A simple procedure has been implemented to model the vehicle dynamic behavior (one degree of freedom model). A closed-loop control strategy (proportional-derivative) has been introduced to determine the throttle opening angle, corresponding to the engine operating point when the vehicle is following the ECE cycle.

The paper describes the research work concerning the simulation of 1D unsteady reacting flows in s.i. engine pipe-systems, including pre-catalysts and main catalysts. The numerical model GASDYN has been developed to enable the concurrent prediction of the wave motion in the intake and exhaust ducts, the chemical composition of the gas discharged by the cylinder of a s.i. engine, the chemical and thermal behavior of catalytic converters. The effect of considering the transport of chemical species with reactions in gas phase (post-oxidation of unburned HC in the exhaust manifold) and in solid phase (conversion of pollutants in the catalyst) on the predicted wave motion is reported.

Nowadays 1D fluid dynamic models are widely used by engine designers, since they can give sufficiently accurate predictions in short times, allowing to support the optimization and development work of any prototype. According to the last requirements in terms of pollutant emission control, some enhancements have been introduced in the 1D code GASDYN, to improve its ability in predicting the composition of the exhaust gas discharged by the cylinders and the transport of the chemical species along the exhaust system. The main aspects of the methods adopted to model the combustion process and the related formation of pollutants are described in the paper. To account for the burnt gas stratification, two different approaches have been proposed, depending on the expected turbulence levels inside the combustion chamber. The reliability of the simulation of the pollutant formation process has been enhanced by the integration of the thermodynamic module with the Chemkin code.

The calculation of the main pollutant emissions discharged into the atmosphere by means of numerical codes requires the development of integrated models, including either an accurate thermodynamic in-cylinder analysis and the simulation of reacting unsteady flows in the duct system. This paper describes the main features of the numerical model GASDYN developed by the authors, which in the last years has been enhanced in order to achieve this kind of objectives. A multi-zone approach has been adopted to predict the combustion process in s.i. engines, whereas the so called super-extended Zeldovich mechanism has been introduced to perform a more detailed description of all the chemical reactions involved in the NOx production process. The simulation of the reacting flows in the exhaust manifold has been completed by the introduction of further enhancements to predict the chemical behavior of gases inside the catalytic converters.

This paper describes some recent advances of the research work concerning the 1D fluid dynamic modeling of unsteady reacting flows in s.i. engine pipe-systems, including pre-catalysts and main catalysts. The numerical model GASDYN developed in previous work has been further enhanced to enable the simulation of the catalyst. The main chemical reactions occurring in the wash-coat have been accounted in the model, considering the mass transfer between gas and solid phase. The oxidation of CO, C3H6, C3H8, H2 and reduction of NO, the steam-reforming reactions of C3H6, C3H8, the water-gas shift reaction of CO have been considered. Moreover, an oxygen-storage sub-model has been introduced, to account for the behavior of Cerium oxides. A detailed thermal model of the converter takes into account the heat released by the exothermic reactions as a source term in the heat transfer equations. The influence of the insulating mat is accounted.

This paper deals with some recent advances in the field of 1D fluid dynamic modeling of unsteady reacting flows in complex s.i. engine pipe-systems, involving a catalytic converter. In particular, a numerical simulation code has been developed to allow the simulation of chemical reactions occurring in the catalyst, in order to predict the chemical specie concentration in the exhaust gas from the cylinder to the tailpipe outlet, passing through the catalytic converter. The composition of the exhaust gas, discharged by the cylinder and then flowing towards the converter, is calculated by means of a thermodynamic two-zone combustion model, including emission sub-models. The catalytic converter can be simulated by means of a 1D fluid dynamic and chemical approach, considering the laminar flow in each tiny channel of the substrate.

The paper describes the 1-D fluid dynamic modeling of unsteady flows with chemical specie tracking in the ducts of a four-cylinder s.i. automotive engine, to predict the composition of the exhaust gas reaching the catalyst inlet. A comprehensive simulation model, based on classical and innovative numerical techniques for the solution of the governing equations, has been developed. The non-traditional shock-capturing CE-SE (Conservation Element-Solution Element) method has been extended to deal with the propagation of chemical species. A comparison of the MacCormack method plus FCT or TVD algorithms with the CE-SE method has pointed out the superiority of the latter scheme in the propagation of contact discontinuities. A realistic composition of the exhaust products in the cylinder, evaluated by a two-zone combustion model including emission sub-models, has been imposed at the opening of the exhaust valve, considering the effect of short-circuit of air during valve overlap.