Future emission standards are driving the need for advanced control of both Spark (SI) and Compression Ignition (CI) engines. However, even with the implementation of cooled Exhaust Gas Recirculation and Low Temperature Combustion (LTC), it is unlikely that in-cylinder combustion strategies alone will reduce emissions to levels below the proposed standards. As a result, researchers are developing complex catalytic aftertreatment systems to meet these tailpipe regulations for both conventional and alternative combustion regimes. Simulating these exhaust systems requires fast and accurate models suitable for significant changes in inlet conditions. Most aftertreatment devices contain Platinum Group Metals because of their widely documented beneficial catalysis properties; examples include Diesel Oxidation Catalysts, Three-Way Catalysts and Lean NOx Traps. There are kinetic mechanisms available for each of these devices, but often they do not extrapolate well to other formulations. For example, Carbon Monoxide (CO) levels entering a catalyst are significantly different between an SI and CI engine. In addition, modifying engine control to utilize LTC operation can result in an increase in CO levels due to lower combustion efficiency. This adversely affects the conversion capabilities of a catalytic device through increased levels of CO inhibition. Finally, catalyst loading and metal dispersion differences between devices often prohibit a direct extension of kinetic constants. As a result, mechanisms often need recalibration for correct modeling capabilities. In order to begin creating a more predictive kinetic mechanism, this paper simulates CO oxidation as a function of different inlet concentration levels and metal loadings. While aftertreatment devices contain many reactions, modeling of one fundamental reaction is a first step to determine the feasibility of adaptive kinetics. In addition, research into the history of the CO oxidation mechanism over platinum illustrates a more accurate rate expression to utilize in deference to current modeling activities. The authors calibrate this expression to experimental data taking into account significant changes in inlet conditions, metal loading and dispersion values. Model fidelity is determined through the simulation of additional data not part of the initial calibration efforts. In addition, the paper discusses strengths and weaknesses of the model along with how other researchers can help foster adaptive kinetic development.
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Carbon monoxide (CO) oxidation is one of the more widely researched mechanisms given its pertinence across many industrial platforms. Because of this, ample information exists as to the detailed reaction steps in its mechanism. While detailed kinetic mechanisms are more accurate and can be written as a function of catalytic material on the surface, global mechanisms are more widely used because of their computational efficiency advantage. This paper merges the theory behind detailed kinetics into a global kinetic model for the singular CO oxidation reaction while formulating expressions that adapt to catalyst properties on the surface such as dispersion and precious metal loading. Results illustrate that the model is able to predict the light-off and extinction temperatures during a hysteresis experiment as a function of different inlet CO concentrations and precious metal dispersion.
Lean NOx trap (LNT) catalytic aftertreatment devices are one potential option for the reduction of oxides of nitrogen (NOx) in the exhaust of compression ignition engines. They work through a controlled modulation between a storage phase that captures NOx over an alkali earth metal and a regeneration phase that reduces the stored nitrates on the surface using a rich pulse of injected fuel or via stoichiometric engine operation. This rich phase has an associated fuel penalty while being relatively difficult to control through temperature and chemical species. In order to improve system efficiency, a number of researchers have proposed dual leg LNT systems using two LNTs, one of which is always storing while the other is undergoing regeneration. The majority of the exhaust flows through the storage LNT while only a small fraction (low space velocity) advects across the regeneration LNT. This increases the regeneration residence time, improving effectiveness and decreasing the amount of fuel used. From an LNT simulation standpoint, most researchers utilize the classical one-dimensional (1D) aftertreatment model constructed from the Euler equations of motion that neglect axial conduction and diffusion. This paper explores the applicability of this model under low flow situations prevalent in a dual leg LNT system through a carbon monoxide light-off experiment. The authors chose this type of experiment in order to focus purely on fluid mechanics and not the choice of LNT reaction mechanism. The results suggest that a Navier–Stokes (N–S) version of the 1D aftertreatment model is preferred for the regeneration leg of a dual LNT system. Moreover, the authors provide the solution of such a model within this paper.
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