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Technical Paper

Analysis of the Injection of Urea-Water-Solution for Automotive SCR DeNOx-Systems: Modeling of Two-Phase Flow and Spray/Wall-Interaction

2006-04-03
2006-01-0643
The selective catalytic reduction (SCR) based on urea-water-solution is an effective technique to reduce nitrogen oxides (NOx) emitted from diesel engines. A 3D numerical computer model of the injection of urea-water-solution and their interaction with the exhaust gas flow and exhaust tubing is developed to evaluate different configurations during the development process of such a DeNOx-system. The model accounts for all relevant processes appearing from the injection point to the entrance of the SCR-catalyst: momentum interaction between gas phase and droplets evaporation and thermolysis of droplets hydrolysis of isocyanic acid in gas phase heat transfer between wall and droplets spray/wall-interaction two-component wall film including interaction with gas phase and exhaust tube The single modeling steps are verified with visualizations, patternator measurements, phase-doppler-anemometer results and temperature measurements.
Technical Paper

Effect of NO2 on Gas-Phase Reactions in Lean NOx/NH3/O2/H2O Mixtures at Conditions Relevant for Exhaust Gas Aftertreatment

2021-02-15
2021-01-5005
This combined numerical simulation and experimental study focuses on the effect of nitrogen dioxide (NO2) in strong diluted oxygen-rich NOx/NH3/O2/H2O gas mixtures representative at exhaust gas aftertreatment in diesel engines. Conversion of nitrogen oxides (NOx) and ammonia (NH3) and the change of the NO/NO2 and NH3/NOx ratios were analyzed by means of comparison between experimental measurements and kinetic simulations. Homogeneous gas-phase experiments have been carried out in a special countercurrent continuous flow reactor at intermediate temperature (473-923 K) and elevated pressure up to 5 bar. In the simulation with an ideal plug-flow model, the occurring reactions in the gas mixture were calculated. To explain the observations, a reactions flow analysis was also performed. The experimental and modeling results revealed that despite a high NH3 conversion, the NOx concentration stays nearly constant in the presence of NO2.
Technical Paper

Formation of N2O in the Exhaust Line of Combustion Engines

2023-07-24
2023-01-5045
With the announcement of the Euro 7 proposal, it is now clear that nitrous oxide (laughing gas, N2O) emissions must be considered and complied with the certification of exhaust aftertreatment systems (EATS) of commercial vehicles (CV). This paper describes the possible formation pathways for N2O in the EATS for different drives and uses measurement results to show the boundary condition and the magnitude of formation as well as the possibilities for influencing or preventing its formation.
Technical Paper

Impact of the Gas Mixture and Aging Conditions on Formaldehyde Conversion over a Series of Commercial Pt-Based Catalysts

2018-06-26
2018-01-5021
The emission of formaldehyde and its removal has recently been brought into the focus of exhaust gas catalysis beside reduction off pollutants like hydrocarbons, carbon monoxide and nitrogen oxides. In this study, five commercial Pt-based catalysts were tested on their ability to oxidize formaldehyde under a variety of gas mixtures representing typical conditions of lean burn gas engines. In general, most of the formaldehyde could be removed almost as efficiently as carbon monoxide and much easier than saturated hydrocarbons. The catalysts were aged in different simulated exhaust gas mixtures including varying SO2 concentrations at 500 °C for 100 h to investigate a possible loss of activity due to thermal aging and poisoning. In a sulfur-free simulated exhaust gas very high conversion with no detectable loss of activity due to the aging was observed. Also small amounts of SO2 (1.75 ppm) had only minor effects on formaldehyde conversion.
Technical Paper

Impact of the Inlet Flow Distribution on the Light-Off Behavior of a 3-Way Catalytic Converter

2003-03-03
2003-01-0937
Numerical simulations are increasingly assisting research and development in the field of emission control of automotive vehicles. Our work focuses on the prediction of the tail-pipe emissions, based on a numerical simulation of the automotive catalytic converter. Besides the prediction of the tail-pipe emissions, an understanding of the processes occurring inside a monolithic catalytic converter implies new opportunities for the design of the optimum exhaust gas system. In this paper, we present a three-dimensional transient numerical study of the influence of the velocity distribution in front of the inlet face on the thermal behavior of the monolith during the light-off of a 3-way catalytic converter. The differences in the thermal and chemical behavior due to the shape of the velocity distribution are discussed. The recently developed code DETCHEMMONOLITH /1/ is used for the numerical simulation.
Technical Paper

Influence of Physical and Chemical Parameters on the Conversion Rate of a Catalytic Converter: A Numerical Simulation Study

2000-03-06
2000-01-0211
Monolithic three-way catalysts are applied to reduce the emission of combustion engines. The design of such a catalytic converter is a complex process involving the optimization of different physical and chemical parameters. Simple properties such as length, cell densities or metal coverage of the catalysts influence the catalytic performance of the converter. Numerical simulation is used as an effective tool for the investigation of the catalytic properties of a catalytic converter and for the prediction of the performance of the catalyst. To attain this goal, a two-dimensional flow field description is coupled with a detailed chemical reaction model. In this paper, results of the simulation of a monolithic single channel are shown. In a first step, the steady state flow distribution was calculated by a two dimensional simulation model. Subsequently, the reaction mechanism of the chemical species in the exhaust gas was added to the simulation process.
Technical Paper

Modeling and Simulation of NOx Abatement with Storage/Reduction Catalysts for Lean Burn and Diesel Engines

2007-04-16
2007-01-1142
The removal of nitrogen oxides emitted by diesel and lean burn engines is one of the most important targets in catalytic exhaust aftertreatment research. Besides the selective catalytic reduction (SCR) reaction with ammonia the most promising approach is the NOx Storage and Reduction Catalyst (NSR) which utilizes the nitrogen oxides storage on barium sites to form nitrates during the lean phase and their reduction to nitrogen in a rich atmosphere. In this paper, we present a modeling approach for the description of the transient behavior of a NSR. The model applies a two-dimensional description of the flow field in the single channels coupled with detailed models for the chemical processes. The mechanism used for modeling the oxidation and reduction of carbon monoxide, hydrocarbons, and nitrogen oxides, respectively, is based on an elementary step reaction mechanism for platinum catalysts and a shrinking core model for the storage and reduction processes on the barium particles.
Technical Paper

Reducing Emissions from Lean-Burn Hydrogen Combustion Engines Using a State-of-the-Art Oxidation Catalyst and a VWTi-Based SCR Catalyst: Potentials and Challenges

2024-04-09
2024-01-2634
Hydrogen (H2) is commonly considered as one of the most promising carbon-free energy carriers allowing for a decarbonization of combustion applications, for instance by retrofitting of conventional diesel internal combustion engines (ICEs). Although modern H2-ICEs emit only comparably low levels of nitrogen oxides (NOx), efficient catalytic converters are mandatory for exhaust gas after-treatment in order to establish near-zero emission applications. In this context, the present study evaluates the performance of a commercial state-of-the-art oxidation catalyst (OC) and of a catalyst for selective catalytic reduction (SCR) that are typically used for emission reduction from diesel exhausts under conditions representative for H2-fueled ICEs, namely oxygen-rich exhausts with high water vapor levels, comparably low temperatures, and potentially considerable levels of unburnt H2.
Technical Paper

The Impact of Pre-Turbine Catalyst Placement on Methane Oxidation in Lean-Burn Gas Engines: An Experimental and Numerical Study

2017-03-28
2017-01-1019
The effect of increased pressure relevant to pre-turbine catalyst positioning on catalytic oxidation of methane over a commercial Pd-Pt model catalyst under lean conditions is investigated both experimentally and numerically. The possible gas phase reactions due to high temperature and pressure were tested with an inert monolith. Catalyst activity tests were conducted for both wet and dry gas mixtures and the effect of pressure was investigated at 1, 2 and 4 bar. Aside from the water in the inlet stream, the water produced by oxidation of methane in dry feed inhibited the activity of the catalyst as well. Experiments were carried out to check the effect of added water in the concentration range of water produced by methane oxidation on the catalyst activity. Based on the experimental results, a global oxidation rate equation is proposed. The reaction rate expression is first order with respect to methane and -1.15 with respect to water.
Technical Paper

Three-Dimensional Simulation of the Transient Behavior of a Three-Way Catalytic Converter

2002-03-04
2002-01-0065
The ultimate goal in the numerical simulation of automotive catalytic converters is the prediction of exhaust gas emissions as function of time for varying inlet conditions, i.e. the simulation of a driving cycle. Such a simulation must include the calculation of the transient three-dimensional temperature-field of the monolithic solid structure of the converter, which results from a complex interaction between a variety of physical and chemical processes such as the gaseous flow field through the monolith channels, the catalytic reactions, gaseous and solid heat transport, and heat transfer to the ambience. This paper will discuss the application of the newly developed CFD-code DETCHEMMONOLITH for the numerical simulation of the transient behavior of three-way catalytic converters that have a monolithic structure.
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