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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.

Even though the 3-way catalyst chemistry has been studied extensively in the literature, some performance aspects of practical relevance have not been fully explained. It is believed that the Oxygen Storage Capacity function of 3-way catalytic components dominates the behavior during stoichiometry transitions from lean to rich mode and vice versa whereas a number of mathematical models have been proposed to describe the dynamics of pollutant conversion. Previous studies have suggested a strong impact of Sulfur on the pollutant conversion after a lean to rich transition, which has not been adequately explained and modelled. Lean to rich transitions are highly relevant to catalyst ‘purging’ needed after exposure to high O2 levels (e.g. after fuel cut-offs). This work presents engine test measurements with an engine-aged catalyst that highlight the negative impact of Sulfur on pollutant conversion after a lean to rich transition.

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.

Current developments in automotive industry such as hybrid powertrains and the continuously increasing demands on emission control systems, are pushing complexity still further. Validation of such systems lead to a huge amount of test cases and hence extreme testing efforts on the road. At the same time the pressure to reduce costs and minimize development time is creating challenging boundaries on development teams. Therefore, it is of utmost importance to utilize testing and validation prototypes in the most efficient way. It is necessary to apply high levels of instrumentation and collect as much data as possible. And a streamlined data pipeline allows the fleet managers to get new insights from the raw data and control the validation vehicles as well as the development team in the most efficient way. In this paper we will demonstrate a data-driven approach for validation testing.

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.

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).

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.

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 presents a numerical study on the impact of washcoat diffusion on the overall conversion performance of catalytic converters. A comprehensive transient 1D pore diffusion reaction model is embedded in state-of-the-art 1D and 3D catalytic converter models. The pore diffusion model is discussed with its model equations and the applied diffusive transport approaches are summarized. The diffusion reaction model is validated with the help of two available analytical solutions. The impact of basic washcoat characteristics such as pore diameters or thickness on overall conversion performance is investigated by selected 1D+1D calculations. This model is also used to highlight the impact of boundary layer transfer, pore diffusion and reaction on the overall converter conversion performance. The interaction of pore diffusion and flow non-uniformities is demonstrated by 3D+1D CFD simulations.

The continuously decreasing emission limits lead to a growing importance of exhaust aftertreatment in Diesel engines. Hence, methods for achieving a rapid catalyst light-off after engine cold start and for maintaining the catalyst temperature during low load operation will become more and more necessary. The present work evaluates several valve timing strategies concerning their ability for doing so. For this purpose, simulations as well as experimental investigations were conducted. A special focus of simulation was on pointing out the relevance of exhaust temperature, mass flow and enthalpy for these thermomanagement tasks. An increase of exhaust temperature is beneficial for both catalyst heat-up and maintaining catalyst temperature. In case of the exhaust mass flow, high values are advantageous only in case of a catalyst heat-up process, while maintaining catalyst temperature is supported by a low mass flow.

The paper describes a zero-dimensional crank angle resolved combustion model which was developed for the analysis and prediction of combustion in compression ignition (CI) engines. The model relies on the multi zone combustion model (MZCM) approach of Hiroyasu. The main sub-models were taken from literature and extended with additional features described in this paper. A special procedure described in a previous paper is used to identify the mechanisms of the combustion process on the basis of the measured cylinder pressure trace. Based on the identified mechanisms the present work concentrates on the analysis of the causal effects that predominantly control the combustion process and the formation of NOx and Soot. The focus lies on the changes of the thermodynamic states and the composition of the reaction zones caused by different emission control strategies.

The design of integrated exhaust lines that combine particulate and NOx emission control is a multidimensional optimization problem. The present paper demonstrates the use of an exhaust system simulation platform which is composed of well-established multidimensional mathematical models for the transient thermal and chemical phenomena in DOC, DPF and SCR systems as well as connecting pipe heat transfer effects. The analysis is focused on the European Driving Cycle conditions. Illustrative examples on complete driving cycle simulations with and without forced regeneration events are presented for alternative design approaches. The results illustrate the importance of DOC and DPF heat capacity effects and connecting pipe heat losses on the SCR performance. The possibility of combining DPF and SCR functionality on a single wall-flow substrate is studied.

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.

An alternative metal foam substrate for exhaust aftertreatment applications has been recently presented and characterized. The present paper focuses on the potential of the metal foam technology as an efficient DOC and CDPF substrates on real-world conditions. The target platform is a mid-size passenger car and the methodology includes both modeling and experiments. The experimental testing starts from small-scale reactor characterization of the basic heat/mass transfer properties and chemical kinetics. The results show that the foam structure exhibits excellent mass-transport properties offering possibilities for precious metal and catalyst volume savings for oxidation catalyst applications. These results are also used to calibrate an advanced 2-dimensional model which is able to predict the transient filtration and reaction phenomena in axial and radial flow systems.

Due to the increasing pressure to develop small-size and low-cost after-treatment systems meeting the legislative demands it is desirable to integrate multiple functionalities and exploit any possible synergies. Typical examples include DPFs catalyzed with deNOx catalysts, as well as LNT-SCR combinations using layered coating technology. The present paper deals with the modeling challenges involved for the proper simulation of such advanced concepts. Key role in such advanced simulation attempts has the coupling between diffusion-reaction phenomena, which is captured through intra-layer modeling. All investigations in this paper deal with the application of possible combined LNT-SCR system configurations. The simulation results show that a dual bed LNT- passive SCR configuration offers substantial NOx emissions reductions compared to a single LNT catalyst and effectively controls secondary NH3 emissions produced during LNT regeneration phases.

XP-SiC is an innovative type of a porous substrate material on the basis of a reaction formed SiC for DPF applications. The high porosity, large pore size inside the cell wall and low specific weight are the special characteristics of this substrate. The aim of the current paper is to present an investigation based on the experimental and modeling approaches to evaluate the back pressure, filtration efficiency and the thermal durability. The latter one was assessed by measuring and predicting the temperature field, as well as calculating the thermal stresses. For this purpose the filter was modeled in the commercial computational code axitrap as a stand-alone tool, in which the conservation equations of mass continuity, momentum, energy and species were solved. The soot filtrations, loading as well as the regeneration by fuel-borne catalyst were modeled.

The rare occurrence during city driving of the exhaust temperature levels required for ceramic trap regeneration without catalytic aid, seems to be the main reason of delay in wide application of the trap. The use of catalysts seems to be more or less necessary. Study of the catalytic activity during trap regeneration had not been very effective so far. This holds equally true for the case of catalyzed trap as for the case of catalytic fuel additives. The lack of a satisfactory theory for the explanation and prediction of catalytic activity, directed international research and development towards the quest of the optimum catalyst, which could support a very simple and low-cost regeneration system. The new approach to the explanation of catalytic activity presented in this paper, denies the above assumption.

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.

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).

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.