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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.

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.

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).

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.

To fulfill future emission standards for diesel engines, combined after-treatment systems consisting of different catalyst technologies and diesel particulate filters (DPF) are necessary. For designing and optimizing the resulting systems of considerable complexity, effective simulation models of different catalyst and DPF technologies have been developed and integrated into a common simulation environment called ExACT (Exhaust After-treatment Components Toolbox). This publication focuses on a model for the NOx storage and reduction catalyst as a part of that simulation environment. A heterogeneous, spatially one-dimensional (1D), physically and chemically based mathematical model of the catalytic monolith has been developed. A global reaction kinetic approach has been chosen to describe reaction conversions on the washcoat. Reaction kinetic parameters have been evaluated from a series of laboratory experiments.

A numerical model describing the ammonia based SCR process of NOX on zeolite catalysts is presented. The model is able to simulate coated and extruded monoliths. The development of the reaction kinetics is based on a study which compares the activity of zeolite and vanadium based catalysts. This study was conducted in a microreactor loaded with washcoat powder and with crushed coated monoliths. A model for the SCR reaction kinetics on zeolite catalysts is presented. After the parameterization of the reaction mechanism the reaction kinetics were coupled with models for heat and mass transport. The model is validated with laboratory data and engine test bench measurement data over washcoated monolith catalysts. A numerical simulation study is presented, aiming to reveal the differences between zeolite and vanadium based SCR catalysts.

A 1D+1D numerical model describing the ammonia based SCR process of NO and NO2 on vanadia-titania catalysts is presented. The model is able to simulate coated and extruded monoliths. Basing on a fundamental investigation of the catalytic processes a reaction mechanism for the NO/NO2 - NH3 reacting system is proposed and modeled. After the parameterization of the reaction mechanism the reaction kinetics have been coupled with models for heat and mass transport. Model validation has been performed with engine test bench experiments. Finally the model has been applied to study the influence of NO2 on SCR efficiency within ETC and ESC testcycles, Additional simulations have been conducted to identify the potential for catalyst volume reduction if NO2 is present in the inlet feed.