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To achieve low tailpipe NOX emissions in Heavy-Duty engines, the rapid warm-up of the exhaust aftertreatment system (EAS) needs to be assisted by the adoption of new technologies to reduce engine-out emissions and increase the EAS conversion efficiency. Engine measures like cylinder deactivation, retarded start of the main injection, late intake valve closing, intake throttling and elevated idle speed can substantially increase the available exhaust gas enthalpy and temperature at the expense of additional fuel as has been shown in the literature. On the other hand, the exhaust system can be optimized in terms of hardware and controls, which is nowadays strongly supported by simulation. However, these simulation studies typically assume a fixed engine hardware and calibration and thus fixed engine-out simulation boundary conditions. Moving forward to tougher and real-world oriented legislation, the fixed cycle and engine-out boundary condition becomes insufficient.

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.

The reliable prediction of pollutant emissions generated by IC engine powertrains during the WLTP driving cycle is a key aspect to test and optimize different configurations, in order to respect the stringent emission limits. This work describes the application of an integrated modeling tool in a co-simulation environment, coupling a 1D fluid dynamic code for engine simulation with a specific numerical code for aftertreatment modelling by means of a robust numerical approach, to achieve a complete methodology for detailed simulations of driving cycles. The main goal is to allow an accurate 1D simulation of the unsteady flows along the intake and exhaust systems and to apply advanced thermodynamic combustion models for the calculation of cylinder-out emissions.

A Euro6 gasoline light duty vehicle has been tested at the engine dynamometer and the emissions have been analyzed upstream and downstream the Three-Way-Catalyst (TWC) during a WLTC cycle. Catalyst simulations have been used for assessing the processes inside the catalytic converter using a reaction scheme based on 19 brutto reactions (direct oxidation and reduction, selective catalytic reductions with CO, C3H6 and H2, steam reforming, water-gas shift and bulk ceria as well as surface ceria reactions). The reactions have been parameterized in order to best approximate the measurements. Based on the reactions taken into account, the real vehicle emissions can be predicted with good accuracy. The simulations show that the cycle emissions comprise mainly the cold start contribution as well as discrete emission break-through events during transients. During cold start no reactions are evident in the catalyst before the temperature of the gas entering the catalyst reaches 270°C.

The successful design and especially the control of the SCR system is a challenging process that can be supported by the application of simulation tools. As a first step, we employ physico-chemically informed ‘off-line’ models that are calibrated with the help of targeted small- and full-scale tests. Despite their high level of sophistication, this SCR model is able to be integrated in a control-oriented simulation software platform and connected to other powertrain simulation blocks. The target is to use this simulation platform as a virtual environment for the development and optimization of SCR control strategies. The above process is demonstrated in the case of a passenger car SCR. The model is calibrated at both fresh and aged catalyst condition and validated using experimental data from the engine bench under a wide variety of operating conditions. Next, the calibrated model was coupled with embedded control models, developed for Euro 6 passenger car powertrains.

The pressure for compact and efficient deNO systems has led to increased interest of incorporating SCR coatings in the DPF walls. This technology could be very attractive especially if high amounts of washcoat loadings could be impregnated in the DPF porous walls, which is only possible with high porosity filters. To counterbalance the filtration and backpressure drawbacks from such high porosity applications, the layered wall technology has already been proposed towards minimizing soot penetration in the wall and maximizing filtration efficiency. In order to deal with the understanding of the complex interactions in such advanced systems and assist their design optimization, this paper presents an advanced modeling framework and selected results from simulation studies trying to illustrate the governing phenomena affecting deNO performance and passive DPF regeneration in the above combined 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.

It is commonly accepted that future powertrains will be based to a large extent on hybrid architectures, in order to optimize fuel efficiency and reduce CO₂ emissions. Hybrid operation is typically achieved with frequent engine start-and-stops during real-world as well as during the legislated driving cycles. The cooling of the exhaust system during engine stop may pose problems if the substrate temperature drops below the light-off temperature. Therefore, the design and thermal management of after-treatment systems for hybrid applications should consider the 3-dimensional heat transfer problem carefully. On the other hand, the after-treatment system calculation in the concept design phase is closely linked with engine calibration, taking into account the hybridization strategy. Therefore, there is a strong need to couple engine simulation with 3d aftertreatment predictions.

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.

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.

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.