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Ammonia/urea-SCR is a mature technology, applied worldwide for the control of NOx emissions in combustion exhausts from thermal power plants, cogeneration units, incinerators and stationary diesel engines and more recently also from mobile sources. However a greater DeNOx activity at low temperatures is desired in order to meet more and more restrictive legislations. In this paper we report transient and steady state data collected over commercial Fe-ZSM-5 and V₂O₅-WO₃/TiO₂ catalysts showing high NOx reduction efficiencies in the 200 - 350°C T-range when NO and ammonia react with nitrates, e.g., in the form of an aqueous solution of ammonium nitrate. Under such conditions a new reaction occurs, the so-called "Enhanced SCR" reaction, 2 NH₃ + 2 NO + NH₄NO₃ → 3 N₂ + 5 H₂O.

To promote advanced combustion strategies complying with stringent emission regulations of CI engines, computational models have to accurately predict the injector inner flow and cavitation development in the nozzle. This paper describes a coupled 1D/2D/3D modeling technique for the simulation of fuel flow and nozzle cavitation in diesel injection systems. The new technique comprises 1D fuel flow, 2D multi-body dynamics and 3D modeling of nozzle inner flow using a multi-fluid method. The 1D/2D model of the common rail injector is created with AVL software Boost-Hydsim. The computational mesh including the nozzle sac with spray holes is generated with AVL meshing tool Fame. 3D multi-phase calculations are performed with AVL software FIRE. The co-simulation procedure is controlled by Boost-Hydsim. Initially Hydsim performs a standalone 1D simulation until the needle lift reaches a prescribed tolerance (typically 2 to 5 μm).

In recent years, the increase of gasoline fuel injection pressure is a way to improve thermal efficiency and lower engine-out emissions in GDI homogenous combustion concept. The challenge of controlling particulate formation as well in mass and number concentrations imposed by emissions regulations can be pursued improving the mixture preparation process and avoiding mixture inhomogeneity with ultra-high injection pressure values up to 100 MPa. The increase of the fuel injection pressure in GDI homogeneous systems meets the demand for increased injector static flow, while simultaneously improves the spray atomization and mixing characteristics with consequent better combustion performance. Few studies quantify the effects of high injection pressure on transient gasoline spray evolution. The aim of this work was to simulate with OpenFOAM the spray morphology of a commercial gasoline injected in a constant volume vessel by a prototypal GDI injector.

Fuel lean combustion and exhaust gas dilution are known to increase the thermal efficiency and reduce NOx emissions. In this study, experiments are performed to understand the effect of equivalence ratio on flame kernel formation and flame propagation around the spark plug for different low turbulent velocities. A series of experiments are carried out for propane-air mixtures to simulate engine-like conditions. For these experiments, equivalence ratios of 0.7 and 0.9 are tested with 20 percent mass-based exhaust gas recirculation (EGR). Turbulence is generated by a shrouded fan design in the vicinity of J-spark plug. A closed loop feedback control system is used for the fan to generate a consistent flow field. The flow profile is characterized by using Particle Image Velocimetry (PIV) technique. High-speed Schlieren visualization is used for the spark formation and flame propagation.

The modeling of fuel sprays under well-characterized conditions relevant for heavy-duty Diesel engine applications, allows for detailed analyses of individual phenomena aimed at improving emission formation and fuel consumption. However, the complexity of a reacting fuel spray under heavy-duty conditions currently prohibits direct simulation. Using a systematic approach, we extrapolate available spray models to the desired conditions without inclusion of chemical reactions. For validation, experimental techniques are utilized to characterize inert sprays of n-dodecane in a high-pressure, high-temperature (900 K) constant volume vessel with full optical access. The liquid fuel spray is studied using high-speed diffused back-illumination for conditions with different densities (22.8 and 40 kg/m3) and injection pressures (150, 80 and 160 MPa), using a 0.205-mm orifice diameter nozzle.

The present work introduces an extended particulate filter model focusing on capabilities to cover catalytic and surface storage reactions and to serve as a virtual multi-functional reactor/separator. The model can be classified as a transient, non-isothermal 1D+1D two-channel model. The applied modeling framework offers the required modeling depth to investigate arbitrary catalytic reaction schemes and it follows the computational requirement of running in real-time. The trade-off between model complexity and computational speed is scalable. The model is validated with the help of an analytically solved reference and the model parametrization is demonstrated by simulating experimentally given temperatures of a heat-up measurement. The detailed 1D+1D model is demonstrated in a concept study comparing the impact of different spatial washcoat distributions.

Selective Catalytic Reduction (SCR) systems are nowadays widely applied for the reduction of NOx emitted from Diesel engines. The typical process is based on the injection of aqueous urea in the exhaust gases before the SCR catalyst, which determines the production of the ammonia needed for the catalytic reduction of NOx. However, this technology is affected by two main limitations: a) the evaporation of the urea water solution (UWS) requires a sufficiently high temperature of the exhaust gases and b) the formation of solid deposits during the UWS evaporation is a frequent phenomenon which compromise the correct operation of the system. In this context, to overcome these issues, a technology based on the injection of gaseous ammonia has been recently proposed: in this case, ammonia is stored at the solid state in a cartridge containing a Strontium Chloride salt and it is desorbed by means of electrical heating.

The thorough understanding of the effects due to the fuel direct injection process in modern gasoline direct injection engines has become a mandatory task to meet the most demanding regulations in terms of pollutant emissions. Within this context, computational fluid dynamics proves to be a powerful tool to investigate how the in-cylinder spray evolution influences the mixture distribution, the soot formation and the wall impingement. In this work, the authors proposed a comprehensive methodology to simulate the air-fuel mixture formation into a gasoline direct injection engine under multiple operating conditions. At first, a suitable set of spray sub-models, implemented into an open-source code, was tested on the Engine Combustion Network Spray G injector operating into a static vessel chamber. Such configuration was chosen as it represents a typical gasoline multi-hole injector, extensively used in modern gasoline direct injection engines.

Transient and steady-state kinetic data are herein presented to analyze the inhibiting effect of ammonia on the NH₃-SCR of NO at low temperatures over a Fe-zeolite commercial catalyst for vehicles. It is shown that in SCR converter models a rate expression accounting for NH₃ inhibition of the Standard SCR reaction is needed in order to predict the specific dynamics observed both in lab-scale and in engine test bench runs upon switching on and off the ammonia feed. Two redox, dual site kinetic models are developed which ascribe such inhibition to the spill-over of ammonia from its adsorption sites, associated with the zeolite, to the redox sites, associated with the Fe promoter. Better agreement both with lab-scale intrinsic kinetic runs and with engine test-bench data, particularly during transients associated with dosing of ammonia to the SCR catalyst, is obtained assuming slow migration of NH₃ between the two sites.

This paper is focused on the development and application of a CFD methodology that can be applied to predict the fuel-air mixing process in stratified charge, sparkignition engines. The Eulerian-Lagrangian approach was used to model the spray evolution together with a liquid film model that properly takes into account its effects on the fuel-air mixing process into account. However, numerical simulation of stratified combustion in SI engines is a very challenging task for CFD modeling, due to the complex interaction of different physical phenomena involving turbulent, reacting and multiphase flows evolving inside a moving geometry. Hence, for a proper assessment of the different sub-models involved a detailed set of experimental optical data is required. To this end, a large experimental database was built by the authors.

The purpose of the European « SPACE LIGHT » (Whole SPACE combustion for LIGHT duty diesel vehicles) 3-year project launched in 2001 is to research and develop an innovative Homogeneous internal mixture Charged Compression Ignition (HCCI) for passenger cars diesel engine where the combustion process can take place simultaneously in the whole SPACE of the combustion chamber while providing almost no NOx and particulates emissions. This paper presents the whole project with the main R&D tasks necessary to comply with the industrial and technical objectives of the project. The research approach adopted is briefly described. It is then followed by a detailed description of the most recent progress achieved during the tasks recently undertaken. The methodology adopted starts from the research study of the in-cylinder combustion specifications necessary to achieve HCCI combustion from experimental single cylinder engines testing in premixed charged conditions.

In this work an integration between a 1D code (Gasdyn) with a CFD code (OpenFOAM®) has been applied to improve the performance of a Moto3 engine. The four-stroke, single cylinder S.I. engine was modeled, in order to predict the wave motion in the intake and exhaust systems and to study how it affects the cylinder gas exchange process. The engine considered was characterized by having an air induction system with integrated filter cartridge, air-box and intake runner, including two fuel injectors, resulting in a complex air-path from the intake mouth to the intake valves, which presents critical aspects when a 1D modeling is addressed. The exhaust and intake systems have been optimized form the point of view of the wave action. However, due to the high revolution speed reached by this type of engine, the interaction between the gas stream and the fuel spray becomes a key aspect to be addressed in order to achieve the best performance at the desired operating condition.

Partially premixed combustion (PPC) can be applied to decrease emissions and increase fuel efficiency in direct injection, compression ignition (DICI) combustion engines. PPC is strongly influenced by the mixing of fuel and oxidizer, which for a given fuel is controlled mainly by (a) the fuel injection, (b) the in-cylinder flow, and (c) the geometry and dynamics of the engine. As the injection timings can vary over a wide range in PPC combustion, detailed knowledge of the in-cylinder flow over the whole intake and compression strokes can improve our understanding of PPC combustion. In computational fluid dynamics (CFD) the in-cylinder flow is sometimes simplified and modeled as a solid-body rotation profile at some time prior to injection to produce a realistic flow field at the moment of injection. In real engines, the in-cylinder flow motion is governed by the intake manifold, the valve motion, and the engine geometry.

The use of state of the art simulation tools for effective front-loading of the calibration process is essential to support the additional efforts required by the new Real Driving Emission (RDE) legislation. The process needs a critical model validation where the correlation in dynamic conditions is used as a preliminary insight into the bounds of the representation domain of engine mean values. This paper focuses on the methodologies for correlating dynamic simulations with emissions data measured during dynamic vehicle operation (fundamental engine parameters and gaseous emissions) obtained using dedicated instrumentation on a diesel vehicle, with a particular attention for oxides of nitrogen NOx specie. This correlation is performed using simulated tests run within AVL’s mean value engine and engine aftertreatment (EAS) model MoBEO (Model Based Engine Optimization).

The present work introduces an innovative mechanistically based 0D spray model which is coupled to a combustion model on the basis of an advanced mixture controlled combustion approach. The model calculates the rate of heat release based on the injection rate profile and the in-cylinder state. The air/fuel distribution in the spray is predicted based on momentum conservation by applying first principles. On the basis of the 2-zone cylinder framework, NOx emissions are calculated by the Zeldovich mechanism. The combustion and emission models are calibrated and validated with a series of dedicated test bed data specifically revealing its capability of describing the impact of variations of EGR, injection timing, and injection pressure. A model based optimization is carried out, aiming at an optimum trade-off between fuel consumption and engine-out emissions. The findings serve to estimate an economic optimum point in the NOx/BSFC trade-off.

The OpenFOAM® CFD methodology is nowadays employed for simulation in internal combustion engines and a lot of work has been done for an appropriate description of all complex phenomena. At the moment in the RANS turbulence models available in the OpenFOAM® toolbox the turbulence modulation is not yet included, and the present work analyzes the predictive capabilities of the code in simulating high injection pressure fuel sprays after modeling the influence of the dispersed phase on the turbulence structure. Different experiments were employed for the validation. At first, non-evaporating diesel spray was considered in a constant volume and quiescent vessel. The validation was performed via the available experimental spray evolution in terms of penetrations and spatial/temporal fuel distributions. Then the Sandia combustion chamber was chosen for diesel spray simulation in non-reacting conditions.

The development of thermally durable zeolite NH3/Urea-SCR formulations coupled with that of high porosity filters substrates has opened the way to integrate PM and NOx control into a single device, namely an SCR-coated Diesel Particulate Filter (SCRF). A few experimental works are already present in the literature regarding SCRF systems, mainly addressing the DeNOx performances of the system (in both presence and absence of soot) under both steady state and transient conditions. The purpose of the present work is to perform a simulation study focused on phenomena which are expected to play key roles in SCRF systems, such as coupling of reaction and diffusion phenomena, soot effect on DeNOx activity, SCR coating effect on soot regeneration and filtration efficiency and competition between soot oxidation and DeNOx processes involving NO2.

Premixed combustion modes in compression ignition engines are studied as a promising solution to meet fuel economy and increasingly stringent emissions regulations. Nevertheless, PCCI combustion systems are not yet consolidated enough for practical applications. The high complexity of such combustion systems in terms of both air-fuel charge preparation and combustion process control requires the employment of robust and reliable numerical tools to provide adequate comprehension of the phenomena. Object of this work is the development and validation of suitable models to evaluate the effects of charge premixing levels in diesel combustion. This activity was performed using the Lib-ICE code, which is a set of applications and libraries for IC engine simulations developed using the OpenFOAM® technology.

Direct-injection technology represents today a very interesting solution to the typical problems that are generally encountered in SI, gas-fueled engines such as reduced volumetric efficiency, backfire and knock. However, development of suitable injection systems and combustion chamber geometry is necessary to optimize the fuel-air mixing and combustion processes. To this end, CFD models are widely applied even if the influence of the mesh structure, numerical and turbulence models on the computed results are still matter of investigation. In this work, a numerical methodology for the simulation of the gas exchange and injection processes in gas-fueled engines was developed within the Lib-ICE framework, which is a set of libraries and applications for IC engine modeling developed using the OpenFOAM® technology. The gas exchange and fuel injection processes were simulated into a four-valve, pent-roof hydrogen-fueled engine with optical access.

Partially premixed compression ignition combustion is one of the low temperature combustion techniques which is being actively investigated. This approach provides a significant reduction of both soot and NOx emissions. Comparing to the homogeneous charge compression ignition mode, PPCI combustion provides better control on ignition timing and noise reduction through air-fuel mixture stratification which lowers heat release rate compared to other advanced combustion modes. In this work, CFD simulations were conducted for a low and a high air-fuel mixture stratification cases on a light-duty optical engine operating in PPCI mode. Such conditions for PRF70 as fuel were experimentally achieved by injection timing and spray targeting at similar thermodynamic conditions.