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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 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).

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.

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.

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.

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.

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 will discuss the fundamentals of the Bosch rate of injection meter which has been the standard measurement tool for the last 25 years and a newly developed tool which uses the Zuech constant volume technique. A fundamental and experimental comparison is presented. Using a high pressure accumulator type injector, each of the injection systems produced almost identical injection rate shapes. The integrated values of these traces (injection quantity) were within a few percent of the physically measured quantities.

It has previously been shown experimentally and computationally that the process of Homogeneous Charge Compression Ignition (HCCI) is very dependent on the pre-combustion gas temperature field. This study looks in detail at how temperature fields can evolve by comparing results of two combustion chamber designs, a piston with a square bowl and a disk shaped piston, and relates these temperature fields to measured HCCI combustion durations. The contributions of combustion chamber surface area and turbulence levels to the gas temperature evolution are considered over the crank angle range from intake valve closure to top-dead-center. This is a CFD study, whose results were transformed into traditional analysis methods of convective heat transfer (q=h*A*ΔT) and boundary layers.

A direct comparison between the mesh-method of characteristics (MOC) and the two-step Lax-Wendroff method with flux corrected transport (LW2+FCT) is presented in terms of calculated pressure, velocity and emitted noise, in the time and the frequency domain, by means of fast Fourier transform analysis. Inspection of sound pressure levels derived from pressure/crankangle data reveals that the results from the Lax-Wendroff method contain larger contributions due to high frequency components than the results from the method of characteristics; this will influence the accuracy of noise predictions made with the two techniques.

This computational study compares predictions and experimental results for the use of direct injected iso-octane fuel during the negative valve overlap (NVO) period to achieve HCCI combustion. The total fuel injection was altered in two ways. First the pre-DI percent, (the ratio of direct injected fuel during the NVO period “pre-DI” to the secondary fuel supplied at the intake manifold “PI”), was varied at a fixed pre-DI injection timing, Secondly the timing of the pre-DI injection was varied while all of the fuel was supplied during the NVO period. A multi-zone, two-dimensional CFD simulation with chemistry was performed using KIVA-3V release 2 implemented with the CHEMKIN solver. The simulations were performed during the NVO period only.

Multi-dimensional computational efforts using comprehensive and skeletal kinetics have been made to investigate the cool flame region in HCCI combustion. The work was done in parallel to an experimental study that showed the impact of the negative temperature coefficient and the cool flame on the start of combustion using different fuels, which is now the focus of the simulation work. Experiments in a single cylinder CFR research engine with n-butane and a primary reference fuel with an octane number of 70 (PRF 70) were modeled. A comparison of the pressure and heat release traces of the experimental and computational results shows the difficulties in predicting the heat release in the cool flame region. The behavior of the driving radicals for two-stage ignition is studied and is compared to the behavior for a single-ignition from the literature. Model results show that PRF 70 exhibits more pronounced cool flame heat release than n-butane.

Nowadays a great attention is paid to the level and quality of noise radiated from the tailpipe end of intake and exhaust systems, to control the gas dynamic noise emitted by the engine as well as the characteristics of the cabin interior sound. The muffler geometry can be optimized consequently, to attenuate or remark certain spectral components of the engine noise, according to the result expected. Evidently the design of complex silencing systems is a time-consuming operation, which must be carried out by means of concurrent experimental measurements and numerical simulations. In particular, 1D and multiD linear/non-linear simulation codes can be applied to predict the silencer behavior in the time and frequency domain. This paper describes the development of a 1D-multiD integrated approach for the simulation of complex muffler configurations such as reverse chambers with inlet and outlet pipe extensions and perforated silencers with the addition of sound absorbing material.

We have developed a methodology for predicting combustion and emissions in a Homogeneous Charge Compression Ignition (HCCI) Engine. The methodology judiciously uses a fluid mechanics code followed by a chemical kinetics code to achieve great reduction in the computational requirements; to a level that can be handled with current computers. In previous papers, our sequential, multi-zone methodology has been applied to HCCI combustion of short-chain hydrocarbons (natural gas and propane). Applying the same procedure to long-chain hydrocarbons (iso-octane) results in unacceptably long computational time. In this paper, we show how the computational time can be made acceptable by developing a segregated solver. This reduces the run time of a ten-zone problem by an order of magnitude and thus makes it much more practical to make combustion studies of long-chain hydrocarbons.

A detailed comparison of cylinder pressure derived combustion performance and engine-out emissions is made between an all-metal single-cylinder light-duty diesel engine and a geometrically equivalent engine designed for optical accessibility. The metal and optically accessible single-cylinder engines have the same nominal geometry, including cylinder head, piston bowl shape and valve cutouts, bore, stroke, valve lift profiles, and fuel injection system. The bulk gas thermodynamic state near TDC and load of the two engines are closely matched by adjusting the optical engine intake mass flow and composition, intake temperature, and fueling rate for a highly dilute, low temperature combustion (LTC) operating condition with an intake O2 concentration of 9%. Subsequent start of injection (SOI) sweeps compare the emissions trends of UHC, CO, NOx, and soot, as well as ignition delay and fuel consumption.

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.

An approach to accurately capture overall behavior in a system level model of DI Diesel HCCI engine operation is presented. The modeling methodology is an improvement over the previous effort [36], where a multi-zone model with detailed chemical kinetics was coupled with an engine cycle simulation code. This multi-zone technique was found to be inadequate in capturing the fuel spray dynamics and its impact on mixing. An improved methodology is presented in this paper that can be used to model fully and partially premixed charge compression ignition engines. A Computational Fluid Dynamics (CFD) driven model is used where the effects of fuel injection, spray evolution, evaporation, and turbulent mixing are considered. The modeling approach is based on the premise that once the initial spray dynamics are correctly captured, the overall engine predictions during the combustion process can be captured with good accuracy.

A procedure has been developed to build system level predictive models that incorporate physical laws as well as information derived from experimental data. In particular a soot model was developed, trained and tested using experimental data. It was seen that the model could fit available experimental data given sufficient training time. Future accuracy on data points not encountered during training was estimated and seen to be good. The approach relies on the physical phenomena predicted by an existing system level phenomenological soot model coupled with ‘weights’ which use experimental data to adjust the predicted physical sub-model parameters to fit the data. This approach has developed from attempts at incorporating physical phenomena into neural networks for predicting emissions. Model training uses neural network training concepts.

An engine cycle simulation code with detailed chemical kinetics has been developed to study Homogeneous Charge Compression Ignition (HCCI) combustion with hydrogen as the fuel. In order to attain adequate combustion duration, resulting from the self-accelerating nature of the chemical reaction, fuel and temperature inhomogeneities have been brought to the calculation by considering the combustion chamber to have various temperature and fuel distributions. Calculations have been done under various conditions including both perfectly homogeneous and inhomogeneous cases, changing the degree of inhomogeneity. The results show that intake gas temperature is more dominant on ignition timing of HCCI than equivalence ratio and that there is a possibility to control HCCI by introducing appropriate temperature inhomogeneity to in-cylinder mixture.

We have developed a methodology for predicting combustion and emissions in a Homogeneous Charge Compression Ignition (HCCI) Engine. This methodology combines a detailed fluid mechanics code with a detailed chemical kinetics code. Instead of directly linking the two codes, which would require an extremely long computational time, the methodology consists of first running the fluid mechanics code to obtain temperature profiles as a function of time. These temperature profiles are then used as input to a multi-zone chemical kinetics code. The advantage of this procedure is that a small number of zones (10) is enough to obtain accurate results. This procedure achieves the benefits of linking the fluid mechanics and the chemical kinetics codes with a great reduction in the computational effort, to a level that can be handled with current computers.