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Multi-dimensional simulation of hydrodynamics in full-scale wall-flow Diesel Particulate Filters by GpenFQAM®, an open-source C++ object-oriented CFD code, is presented. A new fast and efficient parallel numerical solver has been developed by authors to simulate flows through porous media and it has been tested for the simulation of diesel particulate filters; errors caused by discretization of filter monoliths have been corrected by the formulation of a correction factor, that has been included in the solver. A set of experimental data, available from literature, has been used for code validation.

A numerical investigation on a series of Diesel spray experiments in constant-volume vessels is proposed. Non reacting conditions were used to assess the spray models and to determine the grid size required to correctly predict the fuel-air mixture formation process. To this end, not only computed liquid and vapor penetrations were compared with experimental data, but also a detailed comparison between computed and experimental mixture fraction distributions was performed at different distances from the injector. Grid dependency was reduced by introducing an Adaptive Local Mesh Refinement technique (ALMR) with an arbitrary level of refinement. Once the capabilities of the current implemented spray models have been assessed, reacting conditions at different ambient densities and temperatures were considered. A Perfectly Stirred Reactor (PSR) combustion model, based on a direct integration of complex chemistry mechanisms over a homogenous cell, was adopted.

An innovative approach for the simulation of the interaction between the software to be implemented in the Electronic Control Unit (ECU) of the vehicle and the engine is described. The aim was to perform a complete simulation of the engine coupled with the ECU, in order to support multi-disciplinary development and to enable engineers to verify and validate control models in early development stages, reducing costs by performing fewer live engine tests. Also, the simultaneous simulation of the models allows to study their interaction, thus allowing an early exploration of the possible design choices over multiple disciplines. A first prototype of the coupling has been implemented, with an emphasis on realizing a common notion of time and a proper treatment of data exchange between the control model and the engine model.

The present work focuses on the simulation of the hydrodynamics, transient filtration/loading and catalytic/NO2-assisted regeneration of Diesel after-treatment systems. A 1D unsteady model for compressible and reacting flows for the numerical simulation of the behavior of Diesel Oxidation Catalysts (DOCs) and Diesel Particulate Filters (DPFs) has been developed. The numerical model is able to keep track of the amount of soot in the flow; the increasing of back-pressure through the exhaust system (mainly due to the Diesel Particulate Filter) can be predicted by the calculation of the permeability variation of the porous wall, as the soot particles goes inside the DPF. A sub-model for the regeneration of the collected soot has been developed: the collected particulate is oxidized by the Oxygen (O2) and by the Nitrogen Dioxide (NO2).

A new approach for the fluid-dynamic simulation of the Diesel Particulate Filters (DPF) has been developed. A mathematical model has been formulated as a system of nonlinear partial differential equations describing the conservation of mass, momentum and energy for unsteady, compressible and reacting flows, in order to predict the hydrodynamic characteristics of the DPF and to study the soot deposition mechanism. In particular, the mass conservation equations have been solved for each chemical component considered, and the advection of information concerning the chemical composition of the gas has been figured out for each computational mesh. A sub-model for the prediction of the soot cake formation has been developed and predictions of soot deposition profiles have been calculated for different loading conditions. The results of the simulations, namely the calculated pressure drop, have been compared with the experimental data.

This paper describes the development and application of the 1D thermo-fluid dynamic research code GASDYN to the simulation of a Lamborghini 12 cylinder, V 60°, 6.2 L automotive S.I. engine. The model has been adopted to carry out an integrated simulation (thermodynamic, fluid dynamic and chemical) of the engine coupled to its intake and exhaust manifolds, in order to predict not only the wave motion in the ducts and its influence on the cylinder gas exchange process, but also the in-cylinder combustion process and the pollutant emission concentration along the exhaust system. The gas composition in the exhaust pipe system is dictated by the cylinder discharge process, after the calculation of the combustion via a thermodynamic multi-zone model, based on a “fractal geometry” approach.

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 experimental and simulation work recently carried out to investigate the effects of secondary air injection on the emission conversion in the exhaust after-treatment system of a S.I. automotive engine. The modeling of the 1D unsteady reacting flows in the complete exhaust system of a spark ignition engine, designed to satisfy the Euro IV limits, has been performed including the secondary air injection system, to predict the possible shortening of catalyst light-off time and the speed-up of the after-treatment system warm-up. 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) with and without secondary air has been simulated by the 1D thermo-fluid dynamic model GASDYN, developed by the authors.

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.

The paper describes recent advances in the research work concerning the 1-d fluid dynamic modeling of unsteady flows in i.c. engine pipe systems. A comprehensive simulation model has been developed, which is based on different numerical techniques for the solution of the fundamental conservation equations. Classical (MacCormack method plus TVD algorithm) and innovative (the CE-SE method, the discontinuous Galerkin FEM) shock-capturing schemes have been compared, considering the shock-tube problem and the shock-turbulence interaction problem. Moreover, the tracking of the chemical species along the intake and exhaust duct systems has been investigated, introducing the species continuity equations in the numerical model. The engine test case reported in the paper points out the predicted transport of chemical species in the ducts.