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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.

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.

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.

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.