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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

Towards the Use of Eulerian Field PDF Methods for Combustion Modeling in IC Engines

2014-04-01
2014-01-1144
Detailed chemistry and turbulence-chemistry interaction need to be properly taken into account for a realistic combustion simulation of IC engines where advanced combustion modes, multiple injections and stratified combustion involve a wide range of combustion regimes and require a proper description of several phenomena such as auto-ignition, flame stabilization, diffusive combustion and lean premixed flame propagation. To this end, different approaches are applied and the most used ones rely on the well-stirred reactor or flamelet assumption. However, well-mixed models do not describe correctly flame structure, while unsteady flamelet models cannot easily predict premixed flame propagation and triple flames. A possible alternative for them is represented by transported probability density functions (PDF) methods, which have been applied widely and effectively for modeling turbulent reacting flows under a wide range of combustion regimes.
Technical Paper

Numerical Assessment of an After-Treatment System Equipped with a Burner to Speed-Up the Light-Off during Engine Cold Start

2021-09-05
2021-24-0089
In the next years, the upcoming emission legislations are expected to introduce further restrictions on the admittable level of pollutants from vehicles measured on homologation cycles and real drive tests. In this context, the strict control of pollutant emissions at the cold start will become a crucial point to comply with the new regulation standards. This will necessarily require the implementation of novel strategies to speed-up the light-off of the reactions occurring in the after-treatment system, since the cold start conditions are the most critical one for cumulative emissions. Among the different possible technological solutions, this paper focuses on the evaluation of the potential of a burner system, which is activated before the engine start. The hypothetical burner exploits the lean combustion of an air-gasoline mixture to generate a high temperature gas stream which is directed to the catalyst section promoting a fast heating of the substrate.
Technical Paper

Polycyclic Aromatic Hydrocarbons Evolution and Interactions with Soot Particles During Fuel Surrogate Combustion: A Rate Rule-Based Kinetic Model

2021-09-05
2021-24-0086
Modeling combustion of transportation fuels remains a difficult task due to the extremely large number of species constituting commercial gasoline and diesel. However, for this purpose, multi-component surrogate fuel models with a reduced number of key species and dedicated reaction subsets can be used to reproduce the physical and chemical traits of diesel and gasoline, also allowing to perform CFD calculations. Recently, a detailed surrogate fuel kinetic model, named C3 mechanism, was developed by merging high-fidelity sub-mechanisms from different research groups, i.e. C0-C4 chemistry (NUI Galway), linear C6-C7 and iso-octane chemistry (Lawrence Livermore National Laboratory), and monocyclic aromatic hydrocarbons (MAHs) and polycyclic aromatic hydrocarbons (PAHs) (ITV-RWTH Aachen and CRECK modelling Lab-Politecnico di Milano).
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.
Journal Article

A Progress Review on Soot Experiments and Modeling in the Engine Combustion Network (ECN)

2016-04-05
2016-01-0734
The 4th Workshop of the Engine Combustion Network (ECN) was held September 5-6, 2015 in Kyoto, Japan. This manuscript presents a summary of the progress in experiments and modeling among ECN contributors leading to a better understanding of soot formation under the ECN “Spray A” configuration and some parametric variants. Relevant published and unpublished work from prior ECN workshops is reviewed. Experiments measuring soot particle size and morphology, soot volume fraction (fv), and transient soot mass have been conducted at various international institutions providing target data for improvements to computational models. Multiple modeling contributions using both the Reynolds Averaged Navier-Stokes (RANS) Equations approach and the Large-Eddy Simulation (LES) approach have been submitted. Among these, various chemical mechanisms, soot models, and turbulence-chemistry interaction (TCI) methodologies have been considered.
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 Optimization of a SCR System Based on the Injection of Pure Gaseous Ammonia for the NOx Reduction in Light-Duty Diesel Engines

2020-04-14
2020-01-0356
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.
Journal Article

Multi-Dimensional Modeling of the Soot Deposition Mechanism in Diesel Particulate Filters

2008-04-14
2008-01-0444
A computational, three-dimensional approach to investigate the behavior of diesel soot particles in the micro-channels of wall-flow Diesel Particulate Filters is presented. The KIVA3V CFD code, already extended to solve the 2D conservation equations for porous media materials [1], has been enhanced to solve in 2-D and 3-D the governing equations for reacting and compressible flows through porous media in non axes-symmetric geometries. With respect to previous work [1], a different mathematical approach has been followed in the implementation of the numerical solver for porous media, in order to achieve a faster convergency as source terms were added to the governing equations. The Darcy pressure drop has been included in the Navier-Stokes equations and the energy equation has been extended to account for the thermal exchange between the gas flow and the porous wall.
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

A Comparison of Experimental and Modeled Velocity in Gasoline Direct-Injection Sprays with Plume Interaction and Collapse

2017-03-28
2017-01-0837
Modeling plume interaction and collapse for direct-injection gasoline sprays is important because of its impact on fuel-air mixing and engine performance. Nevertheless, the aerodynamic interaction between plumes and the complicated two-phase coupling of the evaporating spray has shown to be notoriously difficult to predict. With the availability of high-speed (100 kHz) Particle Image Velocimetry (PIV) experimental data, we compare velocity field predictions between plumes to observe the full temporal evolution leading up to plume merging and complete spray collapse. The target “Spray G” operating conditions of the Engine Combustion Network (ECN) is the focus of the work, including parametric variations in ambient gas temperature. We apply both LES and RANS spray models in different CFD platforms, outlining features of the spray that are most critical to model in order to predict the correct aerodynamics and fuel-air mixing.
Technical Paper

Progress in Diesel HCCI Combustion Within the European SPACE LIGHT Project

2004-06-08
2004-01-1904
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.
Technical Paper

A 2D Model for Tractor Tire-Soil Interaction: Evaluation of the Maximum Traction Force and Comparison with Experimental Results

2011-04-12
2011-01-0191
The paper investigates the interaction between soil and tractor tires through a 2D numerical model. The tire is schematized as a rigid ring presenting a series of rigid tread bars on the external circumference. The outer profile of the tire is divided into a series of elements, each one able to exchange a normal and a tangential contact force with the ground. A 2D soil model was developed to compute the forces at the ground-tire interface: the normal force is determined on the basis of the compression of the soil generated by the sinking of the tire. The soil is modeled through a layer of springs characterized by two different stiffness for the loading (lower stiffness) and unloading (higher stiffness) condition. This scheme allows to introduce a memory effect on the soil which results stiffer and keeps a residual sinking after the passage of the tire. The normal contact force determines the maximum value of tangential force provided before the soil fails.
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.
Technical Paper

Modeling Ignition and Premixed Combustion Including Flame Stretch Effects

2017-03-28
2017-01-0553
Objective of this work is the incorporation of the flame stretch effects in an Eulerian-Lagrangian model for premixed SI combustion in order to describe ignition and flame propagation under highly inhomogeneous flow conditions. To this end, effects of energy transfer from electrical circuit and turbulent flame propagation were fully decoupled. The first ones are taken into account by Lagrangian particles whose main purpose is to generate an initial burned field in the computational domain. Turbulent flame development is instead considered only in the Eulerian gas phase for a better description of the local flow effects. To improve the model predictive capabilities, flame stretch effects were introduced in the turbulent combustion model by using formulations coming from the asymptotic theory and recently verified by means of DNS studies. Experiments carried out at Michigan Tech University in a pressurized, constant-volume vessel were used to validate the proposed approach.
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.
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

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.
Technical Paper

Development of a CFD Approach to Model Fuel-Air Mixing in Gasoline Direct-Injection Engines

2012-04-16
2012-01-0146
Direct-injection represents a consolidated technology to increase performance and efficiency in spark-ignition engines. It reduces the knock tendency and makes engine downsizing possible through the use of turbocharging. Better control of CO and HC emissions at cold-start is also ensured since there is no wall-impingement in the intake port. However, to take advantages of all the theoretical benefits derived from GDI technology, detailed investigations of both fuel-air mixing and combustion processes are necessary to extend the stratified charge operations in the engine map and to reduce soot emissions, that are now severely regulated by emission standards. In this work, the authors developed a CFD methodology to investigate and optimize the fuel-air mixing process in direct-injection, spark-ignition engines. The Eulerian-Lagrangian approach is used to model the evolution of the fuel spray emerging from a multi-hole injector.
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.
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