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A one-dimensional model of a NOx trap system was developed to describe NOx storage during the lean operation, and NOx release and subsequent reduction during the rich regeneration process. The development of a NOx trap model potentially enables the optimisation of catalyst volume, precious metal loading, substrate type and regeneration strategy for these complex systems. To develop a fundamental description of catalytic activity, experiments were conducted to investigate the key processes involved in isolation (as far as possible), using a Pt/Rh/BaO/Al2O3 model catalyst. A description of the storage capacity as a function of temperature was determined using NOx breakthrough curves and the storage portion of more dynamic lean-rich cycling experiments. NOx breakthrough curves were also used for determination of rate of NOx storage. Kinetics for NOx reduction, as well as CO and HC oxidation, were determined using steady state reactor experiments.

The health threat from sub-100 nm particulates, emitted in significant numbers from gasoline vehicles, and anticipated changes in legislation to address this, have prompted investigation of techniques capable of trapping and oxidizing particulates from gasoline engines. Numerical studies have indicated that cooling to encourage particle capture by thermophoresis is less effective than use of electrostatic fields. A laboratory wire-cylinder electrostatic trap is under development, showing promising initial results. As an alternative trapping technique, the effectiveness of a cordierite wall-flow filter has been demonstrated, in simulation experiments and on a GDI-engined vehicle. Catalysts have been identified for particulate oxidation at typical exhaust temperatures, using water vapour and carbon dioxide as the oxygen source and retaining activity after short-term high-temperature aging.

A one-dimensional numerical model for a Cu-zeolite SCR catalyst has been developed. The model is based on kinetics developed from laboratory microreactor data for the various NH₃-NOX reactions, as well as for NH₃ oxidation. The kinetic scheme used is discussed and evidence for it presented. The model is capable of predicting the conversion of NO and NO₂, NH₃ slip and the formation of N₂O, as well as effects associated with NH₃ storage and desorption. To obtain a good prediction of catalyst temperature during cold start tests, it was found necessary to include storage and desorption of H₂O in the model; storage of H₂O is associated with a sizable exotherm and the subsequent desorption of this water produces a correspondingly large endotherm.

Computational Fluid Dynamics (CFD) is used to simulate chemical reactions and transport phenomena occurring in a single channel of a honeycomb-type automotive catalytic converter under lean burn combustion. Microkinetic analysis is adopted to develop a detailed elementary reaction mechanism for propane oxidation on a silver catalyst. Activation energies are calculated based on the theory of the Unity Bond Index-Quadratic Exponential Potential (UBI-QEP) method. The order-of-magnitude of the pre-exponential factors is obtained from Transition State Theory (TST). Sensitivity analysis is applied to identify the important elementary steps and refine the pre-exponential factors of these reactions. These pre-exponential factors depend on inlet temperatures and propane concentration; therefore optimised pre-exponential factors are written in polynomial forms. The results of numerical simulations are validated by comparison with experimental data.

The relationship between H2S emissions from three-way catalysts and the storage of sulphur on the catalyst surface has been investigated. Thermodynamic data predict that sulphur storage primarily will occur on Al2O3 and CeO2 under lean and stoichiometric conditions, at up to 500°C. Rich transients could then induce the decomposition of the Ce-S-O and Al-S-O compounds, releasing sulphur into the gas phase. Experimental studies have supported this model. A mechanism has been proposed for the subsequent formation of H2S. The mechanism by which catalyst poisons attenuate H2S emissions from engine-aged catalysts also has been studied. The effect has been shown to be related to decreased storage of sulphur, caused by stable catalyst-poison species at the catalyst surface.

This paper presents a two-part study on the effect of Pt:Pd ratio (at a constant total Pt+Pd loading of 120 g ft−3) on the catalytic performance of a Diesel Oxidation Catalyst (DOC) intended for light-duty applications, covering ratios across the full range from 100% Pd to 100% Pt. (Work on a heavy-duty DOC is presented in SAE 2015-01-1052). The first part of this paper presents a reactor study on the effect of Pt:Pd ratio on the catalytic activity of key reactions occurring individually over the DOC, including the oxidation of CO, C3H6, n-C10H22, CH4 and NO. For some reactions, activity increases continuously with Pt content (oxidation of n-C10H22 and NO); in contrast the activity for CH4 oxidation increases with decreasing Pt content (increasing Pd content), while CO and C3H6 oxidation exhibit more complicated dependencies. The second part presents the development of a one-dimensional model capable of predicting the effect of Pt:Pd ratio on DOC performance.