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Technical Paper

Heat Transfer Analysis of Catalytic Converters during Cold Starts

2019-09-09
2019-24-0163
The transient heat transfer behavior of an automotive catalytic converter has been simulated with OpenFOAM in 1D. The model takes into consideration the gas-solid convective heat transfer, axial wall conduction and heat capacity effects in the solid phase, but also the chemical reactions of CO oxidation, based on simplified Arrhenius and Langmuir-Hinshelwood approaches. The associated parameters are the results of data in literature tuned by experiments. Simplified cases of constant flow rates and gas temperatures in the catalyst inflow have been chosen for a comprehensive analysis of the heat and mass transfer phenomena. The impact of inlet flow temperatures and inlet flow rates on the heat up characteristics as well as in the CO emissions have been quantified. A dimensional analysis is proposed and dimensionless temperature difference and space-time coordinates are introduced.
Technical Paper

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

2019-09-09
2019-24-0020
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

A Novel 1D Co-Simulation Framework for the Prediction of Tailpipe Emissions under Different IC Engine Operating Conditions

2019-09-09
2019-24-0147
The accurate prediction of pollutant emissions generated by IC engines is a key aspect to guarantee the respect of the emission regulation legislation. This paper describes the approach followed by the authors to achieve a strict numerical coupling of two different 1D modeling tools in a co-simulation environment, aiming at a reliable calculation of engine-out and tailpipe emissions. The main idea is to allow an accurate 1D simulation of the unsteady flows and wave motion inside the intake and exhaust systems, without resorting to an over-simplified geometrical discretization, and to rely on advanced thermodynamic combustion models and kinetic sub-models for the calculation of cylinder-out emissions. A specific fluid dynamic approach is then used to track the chemical composition along the exhaust duct-system, in order to evaluate the conversion efficiency of after-treatment devices, such as TWC, GPF, DPF, DOC, SCR and so on.
Technical Paper

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

2018-09-10
2018-01-1785
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

2018-04-03
2018-01-0177
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

CFD Investigation of the Impact of Electrical Heating on the Light-off of a Diesel Oxidation Catalyst

2018-04-03
2018-01-0961
In the last years, as a response to the more and more restrictive emission legislation, new devices (SRC, DOC, NOx-trap, DPF) have been progressively introduced as standard components of modern after-treatment system for Diesel engines. In addition, the adoption of electrical heating is nowadays regarded with interest as an effective solution to promote the light-off of the catalyst at low temperature, especially at the start-up of the engine and during the low load operation of the engine typical of the urban drive. In this work, a state-of-the-art 48 V electrical heated catalyst is considered, in order to investigate its effect in increasing the abatement efficiency of a standard DOC. The electrical heating device considered is based on a metallic support, arranged in a spiral layout, and it is heated by the Joule effect due to the passage of the electrical current.
Journal Article

A Kinetic Modelling Study of Alcohols Operating Regimes in a HCCI Engine

2017-09-04
2017-24-0077
Pursuing a sustainable energy scenario for transportation requires the blending of renewable oxygenated fuels such as alcohols into commercial hydrocarbon fuels. From a chemical kinetic perspective, this requires the accurate description of both hydrocarbon reference fuels (n-heptane, iso-octane, toluene, etc.) and oxygenated fuels chemistry. A recent systematic investigation of linear C2-C5 alcohols ignition in a rapid compression machine at p = 10-30 bar and T = 650- 900 K has extended the scarcity of fundamental data at such conditions, allowing for a revision of the low temperature chemistry for alcohol fuels in the POLIMI mechanism. Heavier alcohols such as n-butanol and n-pentanol present ignition characteristic of interest for application in HCCI engines, due to the presence of the hydroxyl moiety reducing their low temperature reactivity compared to the parent linear alkanes (i.e. higher octane number).
Technical Paper

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

2017-03-28
2017-01-0739
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

Modeling n-dodecane Spray Combustion with a Representative Interactive Linear Eddy Model

2017-03-28
2017-01-0571
Many new combustion concepts are currently being investigated to further improve engines in terms of both efficiency and emissions. Examples include homogeneous charge compression ignition (HCCI), lean stratified premixed combustion, stratified charge compression ignition (SCCI), and high levels of exhaust gas recirculation (EGR) in diesel engines, known as low temperature combustion (LTC). All of these combustion concepts have in common that the temperatures are lower than in traditional spark ignition or diesel engines. To further improve and develop combustion concepts for clean and highly efficient engines, it is necessary to develop new computational tools that can be used to describe and optimize processes in nonstandard conditions, such as low temperature combustion.
Journal Article

Design of Catalytic Devices by Means of Genetic Algorithm: Comparison Between Open-Cell Foam and Honeycomb Type Substrates

2016-04-05
2016-01-0965
Metallic foams or sponges are materials with a cell structure suitable for many industrial applications, such as reformers, heat catalytic converters, etc. The success of these materials is due to the combination of various characteristics such as mechanical strength, low density, high specific surface, good thermal exchange properties, low flow resistance and sound absorption. Different materials and manufacturing processes produce different type of structure and properties for various applications. In this work a genetic algorithm has been developed and applied to support the design of catalytic devices. In particular, two substrates were considered, namely the traditional honeycomb and an alternative open-cell foam type. CFD simulations of pressure losses and literature based correlations for the heat and mass transfer were used to support the genetic algorithm in finding the best compromise between flow resistance and pollutant abatement.
Journal Article

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

2016-04-05
2016-01-0696
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

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

2014-04-01
2014-01-1161
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

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

2013-04-08
2013-01-1064
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.
Technical Paper

A Quasi-3D Model for the Simulation of the Unsteady Flows in I.C. Engine Pipe Systems

2012-04-16
2012-01-0675
Increasing demands on the capabilities of engine simulation and the ability to accurately predict both performance and acoustics has lead to the development of several numerical tools to help engine manufacturers during the prototyping stage. The aid of CFD tools (3D and 1D) can remarkably reduce the duration and the costs of this stage. The need of achieving good accuracy, along with acceptable computational runtime, has given the spur to the development of a geometry based quasi-3D approach. This is designed to model the acoustics and the fluid dynamics of both intake and exhaust system components used in internal combustion engines. Models of components are built using a network of quasi-3D cells based primarily on the geometry of the system. The solution procedure is based on an explicitly time marching staggered grid approach making use of a flux limiter to prevent numerical instabilities.
Technical Paper

Application of the CTC Model to Predict Combustion and Pollutant Emissions in a Common-Rail Diesel Engine Operating with Multiple Injections and High EGR

2012-04-16
2012-01-0154
Multiple injections and high EGR rates are now widely adopted for combustion and emissions control in passenger car diesel engines. In a wide range of operating conditions, fuel is provided through one to five separated injection events, and recirculated gas fractions between 0 to 30% are used. Within this context, fast and reliable multi-dimensional models are necessary to define suitable injection strategies for different operating points and reduce both the costs and time required for engine design and development. In this work, the authors have applied a modified version of the characteristic time-scale combustion model (CTC) to predict combustion and pollutant emissions in diesel engines using advanced injection strategies. The Shell auto-ignition model is used to predict auto-ignition, with a suitable set of coefficients that were tuned for diesel fuel.
Technical Paper

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

2011-06-09
2011-37-0031
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

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

2011-04-12
2011-01-1319
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.
Journal Article

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

2010-04-12
2010-01-1181
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.
Journal Article

1D Thermo-Fluid Dynamic Modeling of Reacting Flows inside Three-Way Catalytic Converters

2009-04-20
2009-01-1510
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.
Technical Paper

Integrated Breathing Model and Multi-Variable Control Approach for Air Management in Advanced Gasoline Engine

2006-04-03
2006-01-0658
The evolution of automotive engines calls for the design of electronic control systems optimizing the engine performance in terms of reduced fuel consumption and pollutant emissions. However, the opportunities provided by modern engines have not yet completely exploited, since the adopted control strategies are still largely developed in a very heuristic way and rely on a number of SISO (Single Input Single Output) designs. On the contrary, the strong coupling between the available actuators calls for a MIMO (Multi Input Multi Output) control design approach. To this regard, the availability of reliable dynamic engine models plays an important role in the design of engine control and diagnostic systems, allowing for a significant reduction of the development times and costs. This paper presents a control-oriented model of the air-path system of today's gasoline internal combustion engines.
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