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Urea-selective catalytic reduction (SCR) catalysts are the leading aftertreatment technology for diesel engines, but there are major challenges associated with meeting future NOx emission standards, especially under transient drive cycle conditions that include large swings in exhaust temperatures. Here we present a simplified, transient, one-dimensional integral model of NOx reduction by NH₃ on a commercial small-pore Cu-zeolite urea-SCR catalyst for which detailed kinetic parameters have not been published. The model was developed and validated using data acquired from bench reactor experiments on a monolith core, following a transient SCR reactor protocol. The protocol incorporates NH₃ storage, NH₃ oxidation, NO oxidation and three global SCR reactions under isothermal conditions, at three space velocities and at three NH₃/NOx ratios.

In order to further characterize and optimize the performance of Selective Catalytic Reduction (SCR) aftertreatment systems used on heavy-duty diesel engines, an accurately calibrated high-fidelity multi-step global kinetic SCR model and a reduced order estimator for on-board diagnostic (OBD) and control are desirable. In this study, a Cu-zeolite SCR catalyst from a 2010 Cummins ISB engine was experimentally studied in a flow reactor using carefully designed protocols. A 2-site SCR model describing mass transfer and the SCR chemical reaction mechanisms is described in the paper. The model was calibrated to the reactor test data sets collected under temperatures from 200 to 425 °C and SCR space velocities of 60000, 90000, and 120000 hr-1. The model parameters were calibrated using an optimization code to minimize the error between measured and simulated NO, NO₂, N₂O, and NH₃ gas concentration time histories.

The U.S. Department of Energy’s Co-Optimization of Fuels and Engines initiative (Co-Optima) aims to simultaneously transform both transportation fuels and engines to maximize performance and energy efficiency. Researchers from across the DOE national laboratories are working within Co-Optima to develop merit functions for evaluating the impact of fuel formulations on the performance of advanced engines. The merit functions relate overall engine efficiency to specific measurable fuel properties and will serve as key tools in the fuel/engine co-optimization process. This work focused on developing a term for the Co-Optima light-duty boosted spark ignition (SI) engine merit function that captures the effects of fuel composition on emissions control system performance. For stoichiometric light-duty SI engines, the majority of NOx, NMOG, and CO emissions occur during cold start, before the three-way catalyst (TWC) has reached its “light-off” temperature.

A prototype three-way catalyst (TWC) with NOX storage component was evaluated for ammonia (NH3) generation on a 2.0-liter BMW lean burn gasoline direct injection engine as a component in a passive ammonia selective catalytic reduction (SCR) system. The passive NH3 SCR system is a potential approach for controlling nitrogen oxides (NOX) emissions from lean burn gasoline engines. In this system, NH3 is generated over a close-coupled TWC during periodic slightly-rich engine operation and subsequently stored on an underfloor SCR catalyst. Upon switching to lean, NOX passes through the TWC and is reduced by the stored NH3 on the SCR catalyst. Adding a NOX storage component to a TWC provides two benefits in the context of a passive SCR system: (1) enabling longer lean operation by storing NOX upstream and preserving NH3 inventory on the downstream SCR catalyst; and (2) increasing the quantity and rate of NH3 production during rich operation.

An engine-aftertreatment computational model was developed to support in-loop performance simulations of tailpipe emissions and fuel consumption associated with a range of heavy-duty (HD) truck drive cycles. For purposes of this study, the engine-out exhaust dynamics were simulated with a combination of steady-state engine maps and dynamic correction factors that accounted for recent engine operating history. The engine correction factors were approximated as dynamic first-order lags associated with the thermal inertia of the major engine components and the rate at which engine-out exhaust temperature and composition vary as combustion heat is absorbed or lost to the surroundings. The aftertreatment model included catalytic monolith components for diesel exhaust oxidation, particulate filtration, and selective catalytic reduction of nitrogen oxides (NOx) with urea.

NOx emissions have traditionally been difficult to control from diesel engines; however, lean NOx trap catalysts have been shown to reduce NOx emissions from diesel engines by greater than 90% under some conditions. It is imperative that lean NOx traps be highly selective to N2 to achieve the designed NOx emissions reduction. If selectivity for NOx reduction to NH3 or N2O is significant then, ultimately, higher levels of pollution or greenhouse emissions will result. Here studies of the N2 selectivity of lean NOx trap regeneration with in-cylinder techniques are presented. Engine dynamometer studies with a light-duty engine were performed, and a lean NOx trap in the exhaust system was regenerated by controlling in-cylinder fuel injection timing and amounts to achieve rich exhaust conditions. NH3 and N2O emissions were analyzed with FTIR spectroscopy.