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Technical Paper

A Modeling Study of Soot and De-NOx Reaction Phenomena in SCRF Systems

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.
Journal Article

Removal of NOx from Diesel Exhausts: The New “Enhanced NH3-SCR” Reaction

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.
Technical Paper

Crank-Angle Resolved Modeling of Fuel Injection, Combustion and Emission Formation for Engine Optimization and Calibration on Real-Time Systems

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.
Technical Paper

Numerical Investigation of PPCI Combustion at Low and High Charge Stratification Levels

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.
Technical Paper

Dynamic Injection Adaptation by Input Shaping for Low NOx Emissions during Transients

Especially in view of more and more stringent emission legislation in passenger cars it is required to reduce the amount of pollutants. In the case of Diesel engines mainly NOx and PM are emitted during engine operation. The main influence factors for these pollutants are the in-cylinder oxygen concentration and the injected fuel amount. Typically the engine control task can be divided into two separate main parts, the fuel and the air system. Commonly air system control, consisting of a turbocharger and exhaust gas recirculation control, is used to provide the required amount of oxygen and address the emission targets, whereas the fuel is used to provide the desired torque. Especially in transient maneuvers the different time scales of both systems can lead to emission peaks which are not desired. Against this background in this work instead of the common way to address the air system, the fuel system is considered to reduce emission peaks during transients.
Journal Article

The NH3 Inhibition Effect in the Standard SCR Reaction over a Commercial Fe-zeolite Catalyst for Diesel Exhaust Aftertreatment: An Experimental and Modeling Study

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.
Technical Paper

Progress in Diesel HCCI Combustion Within the European SPACE LIGHT Project

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.
Journal Article

Modeling of Catalyzed Particulate Filters - Concept Phase Simulation and Real-Time Plant Modeling on HiL

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.
Journal Article

Experimental and Numerical Study of Flame Kernel Formation Processes of Propane-Air Mixture in a Pressurized Combustion Vessel

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.
Technical Paper

Computational Chemistry Consortium: Surrogate Fuel Mechanism Development, Pollutants Sub-Mechanisms and Components Library

The Computational Chemistry Consortium (C3) is dedicated to leading the advancement of combustion and emissions modeling. The C3 cluster combines the expertise of different groups involved in combustion research aiming to refine existing chemistry models and to develop more efficient tools for the generation of surrogate and multi-fuel mechanisms, and suitable mechanisms for CFD applications. In addition to the development of more accurate kinetic models for different components of interest in real fuel surrogates and for pollutants formation (NOx, PAH, soot), the core activity of C3 is to develop a tool capable of merging high-fidelity kinetics from different partners, resulting in a high-fidelity model for a specific application. A core mechanism forms the basis of a gasoline surrogate model containing larger components including n-heptane, iso-octane, n-dodecane, toluene and other larger hydrocarbons.
Technical Paper

MiL-Based Calibration and Validation of Diesel-ECU Models Using Emission and Fuel Consumption Prediction during Dynamic Warm-Up Tests (NEDC)

A calibration and validation workflow will be presented in this paper, which utilizes common static global models for fuel consumption, NOx and soot. Due to the applicability for warm-up tests, e. g. New European Driving Cycle (NEDC), the models need to predict the temperature influence and will be fitted with measuring data from a conditioned engine test bed. The applied model structure - consisting of a number of global data-based sub-models - is configured especially for the requirements of multi-injection strategies of common rail systems. Additionally common global models for several constant coolant water temperature levels are generated and the workflow tool supports the combination and segmentation of global nominal map with temperature correction maps for seamless and direct ECU setting.
Technical Paper

A Correlation Methodology between AVL Mean Value Engine Model and Measurements with Concept Analysis of Mean Value Representation for Engine Transient Tests

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).
Technical Paper

The Air Assisted Direct Injection ELEVATE Automotive Engine Combustion System

The purpose of the ELEVATE (European Low Emission V4 Automotive Two-stroke Engine) industrial research project is to develop a small, compact, light weight, high torque and highly efficient clean gasoline 2-stroke engine of 120 kW which could industrially replace the relatively big existing automotive spark ignition or diesel 4-stroke engine used in the top of the mid size or in the large size vehicles, including the minivan vehicles used for multi people and family transportation. This new gasoline direct injection engine concept is based on the combined implementation on a 4-stroke bottom end of several 2-stroke engine innovative technologies such as the IAPAC compressed air assisted direct fuel injection, the CAI (Controlled Auto-Ignition) combustion process, the D2SC (Dual Delivery Screw SuperCharger) for both low pressure engine scavenging and higher pressure IAPAC air assisted DI and the ETV (Exhaust charge Trapping Valve).
Technical Paper

Performance and Exhaust Emissions Analysis of a Diesel Engine Using Oxygen-Enriched Air

Oxygen enriched air (EA) is a well known industrial mixture in which the content of oxygen is higher respect the atmospheric one, in the range 22-35%. Oxygen EA can be obtained by desorption from water, taking advantage of the higher oxygen solubility in water compared to the nitrogen one, since the Henry constants of this two gases are different. The production of EA by this new approach was already studied by experimental runs and theoretical considerations. New results using salt water are reported. EA promoted combustion is considered as one of the most interesting technologies to improve the performance in diesel engines and to simultaneously control and reduce pollution. This paper explores, by means of 3-dimensional computational fluid dynamics simulations, the effects of EA on the performance and exhaust emissions of a high-speed direct-injection diesel engine.
Technical Paper

A Numerical Study on the Sensitivity of Soot and NOx Formation to the Operating Conditions in Heavy Duty Engines

In this paper, computation fluid dynamics (CFD) simulations are employed to describe the effect of flow parameters on the formation of soot and NOx in a heavy duty engine under low load and high load. The complexity of diesel combustion, specially when soot, NOx and other emissions are of interest, requires using a detailed chemical mechanism to have a correct estimation of temperature and species distribution. In this work, Multiple Representative Interactive Flamelets (MRIF) method is employed to describe the chemical reactions, ignition, flame propagation and emissions in the engine. A phenomenological model for soot formation, including soot nucleation, coagulation and oxidation with O2 and OH is incorporated into the flamelet combustion model. Different strategies for modelling NOx are chosen to take into account the longer time scale for NOx formation. The numerical results are compared with experimental data to show the validity of the model for the cases under study.
Technical Paper

High Power Discharge Combustion Effects on Fuel Consumption, Emissions, and Catalyst Heating

A key element to achieving vehicle emission certification for most light-duty vehicles using spark-ignition engine technology is prompt catalyst warming. Emission mitigation largely does not occur while the catalyst is below its “light-off temperature”, which takes a certain time to achieve when the engine starts from a cold condition. If the catalyst takes too long to light-off, the vehicle could fail its emission certification; it is necessary to minimize the catalyst warm up period to mitigate emissions as quickly as possible. One technique used to minimize catalyst warm up is to calibrate the engine in such a way that it delivers high temperature exhaust. At idle or low speed/low-load conditions, this can be done by retarding spark timing with a corresponding increase in fuel flow rate and / or leaning the mixture. Both approaches, however, encounter limits as combustion stability degrades and / or nitrogen oxide emissions rise excessively.
Technical Paper

An Investigation into the Effect of Fuel Injection System Improvements on the Injection and Combustion of DiMethyl Ether in a Diesel Cycle Engine

For nearly twenty years, DiMethyl Ether has been known to be an outstanding fuel for combustion in diesel cycle engines. Not only does it have a high Cetane number, it burns absolutely soot free and produces lower NOx exhaust emissions than the equivalent diesel. However, the physical properties of DME such as its low viscosity, lubricity and bulk modulus have negative effects for the fuel injection system, which have both limited the achievable injection pressures to about 500 bar and DME's introduction into the market. To overcome some of these effects, a common rail fuel injection system was adapted to operate with DME and produce injection pressures of up to 1000 bar. To understand the effect of the high injection pressure, tests were carried out using 2D optically accessed nozzles. This allowed the impact of the high vapour pressure of DME on the onset of cavitation in the nozzle hole to be assessed and improve the flow characteristics.
Journal Article

Cold Start Effect Phenomena over Zeolite SCR Catalysts for Exhaust Gas Aftertreatment

NH₃/urea SCR is a very effective and widely used technology for the abatement of NOx from diesel exhaust. The SCR mechanism is well understood and the catalyst behavior can be predicted by mathematical models - as long as operation above the temperature limit for AdBlue® injection is considered. The behavior below this level is less understood. During the first seconds up to minutes after cold start, complete NOx abatement can be observed over an SCR catalyst in test bench experiments, together with a significant increase in temperature after the converter (ca. 100 K). In this work these effects have been investigated over a monolith Cu-zeolite SCR catalyst. Concentration step experiments varying NO, NO₂ and H₂O have been carried out in lab scale, starting from room temperature. Further, the interaction of C₃H₆ and CO with NOx over the SCR has been investigated.