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Journal Article

Modelling of NOx Storage + SCR Exhaust Gas Aftertreatment System with Internal Generation of Ammonia

2010-04-12
2010-01-0887
Combination of an NOx storage and reduction catalyst (NSRC, called also lean NOx trap, LNT) and a catalyst for the selective catalytic reduction of NOx by NH₃ (NH₃-SCR) offers a potential to significantly increase the efficiency of NSRC-based exhaust gas aftertreatment systems. Under most situations the SCR catalyst is able to adsorb the NH₃ peaks generated in the NSRC during the regeneration and utilize it for additional NOx reduction in the course of the consequent lean phase. This synergy becomes more important with the aged NSRC, where generally lower NOx conversions and higher NH₃ yields in wider range of operating temperatures are observed (in comparison with the fresh or de-greened NSRC). In this paper we present global kinetic models for the NSRC (Pt/Ba/Ce/gγ-Al₂O₃ catalyst type) and NH₃-SCR (Fe-ZSM5 catalyst type).
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.
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

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

Numerical Simulation of DOC+DPF+SCR systems:DOC Influence on SCR Performance

2008-04-14
2008-01-0867
A numerical model for a diesel oxidation catalyst (DOC) is presented. It is based on a spatially 1D, physical and chemically based modeling of the relevant processes within the catalytic monolith. A global reaction kinetic approach has been chosen to describe the chemical reactions. Water condensation and evaporation was also considered, in order to predict the cold start behavior. Reaction kinetic parameters have been evaluated from a series of laboratory experiments. A correlation between the kinetic parameters and the noble metal loading was developed. The model was used in combination with a SCR-Model to study the influence of changes of noble metal loading and DOC volume on the overall transient NOx performance of a DOC+DPF+SCR system.
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.
Technical Paper

Bluetec Emission Control System for the US Tier 2 Bin 5 Legislation

2008-04-14
2008-01-1184
While the market share for diesel engines for LD vehicles in Europe has grown continuously in the past years, the market share in North America is still negligible. Until now, it has been possible to fulfill the limits for nitrogen oxides (NOx) both in Europe and in North America by engine measures alone, without using an active NOx aftertreatment system. With the introduction of Tier II Bin 8 and Tier II Bin 5 emissions legislation in the US in 2007, most new diesel applications will now require NOx aftertreatment. One of the possible technologies for the reduction of nitrogen oxides in lean exhaust gas is the NOx storage catalyst which has become the generally-accepted choice for engines with gasoline direct injection systems and which is also utilized in the current diesel Bluetec I systems from Daimler. For heavier applications urea-SCR is the preferred technology to fulfill NOx legislation limits.
Technical Paper

BLUETEC Diesel Technology - Clean, Efficient and Powerful

2008-04-14
2008-01-1182
Diesel engines have a strong contribution to the CO2 reduction in Europe in the past years. To enable these C02 reduction potential to the US market Mercedes Benz developed the BLUETEC technology for light duty diesel engines. The BLUETEC technology contains an optimized diesel engine and combustion system, an aftertreatment system with DOC, DPF and an active SCR catalyst with AdBlue Dosing System and an enhanced ECU functionality and calibration. For fulfilling the world strongest emission limits of the US legislation there have to be solutions developed for the handling of AdBlue under cold climate below -11°C, managing the refilling event, and the onboard diagnostic. To ensure the emission stability over full useful life on high NOx conversions level, intensive testing of the catalyst technology had to be done. In addition there are self learning functionalities for adapting the dosing strategy to ensure the maximum NOx performance.
Technical Paper

Model-based Optimization of Catalyst Zoning in Diesel Particulate Filters

2008-04-14
2008-01-0445
Catalyzed wall-flow particulate filters are increasingly applied in diesel exhaust after-treatment for multiple purposes, including low-temperature catalytic regeneration, CO and hydrocarbon conversion, as well as exothermic heat generation during forced regeneration. In order to optimize Precious Metals usage, it may be advantageous to apply the catalytic coating non-uniformly in the DPF, a technology referred to as “catalyst zoning”. In order to simulate the behavior of such a filter, one has to consider coupled transport-reaction modeling. In this work, a previously developed model is calibrated versus experimental data obtained with full-scale catalyzed filters on the engine dynamometer. In a next step, the model is validated under a variety of operating conditions using engine experiments with zoned filters. The performance of the zoned catalyst is analyzed by examining the transient temperature and species profiles in the inlet and outlet channels.
Technical Paper

Sensor for Directly Determining the State of a NOx Storage Catalyst

2008-04-14
2008-01-0447
In order to control NOx reduction with NOx storing lean NOx traps (LNT), a gas sensor downstream of the LNT is presently preferred. It is a disadvantage that no means are available to gauge directly the LNT NOx loading level and the catalyst quality. The presented novel sensor consists of interdigital electrodes that are deposited on a planar substrate. On its reverse side, a temperature sensor is applied. Both sides are covered with the original catalyst coating, allowing detecting directly electrical impedance and temperature of the coating. Such sensors were integrated in different positions of an LNT. It is shown in synthetic exhausts as well as in engine tests that in-situ measurements of the electrical impedance of the LNT coating are appropriate to determine directly the catalyst status. Hence, the local degree of NOx loading as well as the local regeneration status can be measured. Furthermore, sulfur poisoning, desulfurization, and thermal ageing can be directly seen.
Technical Paper

Investigations on Chemical Ageing of Diesel Oxidation Catalysts and Coated Diesel Particulate Filters

2010-04-12
2010-01-1212
For medium- and heavy-duty diesel engines, the development of new catalyst technologies and particulate filters is necessary to fulfill increasingly stringent emission regulations. An important aspect is the durability of the after-treatment system and therefore its efficiency over lifetime. Lubrication oil additives contain components such as phosphorous or zinc to ensure engine durability. Diesel oxidation catalyst (DOC) and coated diesel particulate filter (cDPF) catalytic coatings are negatively influenced by contamination on the surface with these components (chemical ageing). The components have a negative impact on the exhaust after-treatment systems performance. Additionally the cDPF is filled with oil ash. Engine tests are conducted to analyze the effect of lubrication oil additives on after-treatment system performance. In one study, lubrication oil with increased sulfur ash content is used.
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

Modeling of Injected Diesel Fuel Conversion and Heat Release in Oxidation Catalyst: 3D-CFD & 1D Channels Approach

2012-04-16
2012-01-1293
A system for controlled heat generation in exhaust pipeline is studied, consisting of fuel injector and oxidation catalyst (plus connecting pipes). A 3D-CFD software (StarCD) coupled with a tailored 1D model of catalytic monolith channel (XMR) are employed for simulations of realistic, fully 3D system geometry. Exhaust gas flow, fuel injection, and distribution at the catalyst inlet is solved by 3D-CFD, while the processes inside individual representative channels are simulated by the effective 1D model. The 3D-CFD software calls iteratively the 1D channel model with proper boundary conditions and solves 3D temperature profile over the monolith, utilizing local enthalpy fluxes (including gas-solid heat transfer and reaction enthalpy) calculated by the 1D channel model. Seven representative hydrocarbons are used for characterisation of Diesel fuel composition with respect to catalytic oxidation kinetics.
Technical Paper

A Low Temperature Pathway Operating the Reduction of Stored Nitrates in Pt-Ba/Al2O3 Lean NOx Trap Systems

2006-04-03
2006-01-1368
In this paper the low temperature reduction process of nitrates stored at high temperatures over model Pt-Ba/Al2O3 LNT catalysts using both H2 and C3H6 is analyzed. The results indicate that over the Pt-Ba/Al2O3 catalyst the reduction of stored NOx with both H2 and C3H6 occurs at temperature below those corresponding to their thermal stability. Accordingly, the reduction process occurs through a Pt-catalyzed surface reaction, which does not involve, as a preliminary step, the thermal decomposition of the adsorbed NOx species. The occurrence of such a pathway also requires the co-presence of the storage element and of the noble metal on the same support.
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

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

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

Analysis and Optimization of Metallic Based Substrates for After-Treatment System by Means of Full-Scale CFD Simulations and Experiments

2023-04-11
2023-01-0369
The tightening trend of regulations on the levels of admitted pollutant emissions has given a great spur to the research work in the field of combustion and after-treatment devices. Despite the improvements that can be applied to the development of the combustion process, pollutant emissions cannot be reduced to zero; for this reason, the aftertreatment system will become a key component in the path to achieving near-zero emission levels. This study focuses on the numerical analysis and optimization of different metallic substrates, specifically developed for three-way catalyst (TWC) and Diesel oxidation catalyst (DOC) applications, to improve their thermal efficiency by reducing radial thermal losses through the outer mantle. The optimization process relies on computational fluid dynamics (CFD) simulations supported by experimental measurements to validate the numerical models carried out under uncoated conditions, where chemical reactions do not occur.
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.
Journal Article

CFD Assessment of an After-Treatment System Equipped with Electrical Heating for the Reduction of the Catalyst Light-Off Time

2023-04-11
2023-01-0366
The reduction of the catalyst light-off time at the engine cold start represents a key factor for the pollutant emissions control from vehicles tested on homologation cycles and real drive conditions. The adoption of heating strategies to increase the temperature of the catalytic substrate in the early phase of the engine start is regarded as a promising solution. The present study focuses on the application of electrical heated catalyst (EHC) in an after-treatment line for a spark-ignition gasoline engine. The analysis is carried out by means of an advanced CFD framework, which includes the modeling of catalytic reactions in the substrates and accounts for the thermal evolution of all the components included in the after-treatment system.
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