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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.

Modeling tailpipe NOx emissions has always been difficult due to the complexity of the numerous factors involved in the catalytic conversion of the pollutant. Most emissions modeling has been based on steady state driving. A parameterized algebraic model for second-by-second tailpipe emissions of NOx for a composite Tier 1 car is presented employing data from the Federal Test Procedure Revision Project (FTPRP). Calculating fuel rate from measured engine out values, the catalytic converter is physically modeled based on the fuel rate history and a few fitted parameters. Under certain conditions, the changes in fuel rate are related to trends in the air to fuel ratio. The model accurately predicts the time dependence of hot stabilized tailpipe NOx emissions in the FTP bag 3 and US06 driving cycles. Modeling of low power driving, as in bag 2, is not as successful.

A global, systems-level model which characterizes the thermal behavior of internal combustion engines is described in this paper. Based on resistor-capacitor thermal networks, either steady-state or transient thermal simulations can be performed. A two-zone, quasi-dimensional spark-ignition engine simulation is used to determine in-cylinder gas temperature and convection coefficients. Engine heat fluxes and component temperatures can subsequently be predicted from specification of general engine dimensions, materials, and operating conditions. Emphasis has been placed on minimizing the number of model inputs and keeping them as simple as possible to make the model practical and useful as an early design tool. The success of the global model depends on properly scaling the general engine inputs to accurately model engine heat flow paths across families of engine designs. The development and validation of suitable, scalable submodels is described in detail in this paper.

An aftertreatment system involving a LNT followed by a SCR catalyst is proposed for treating the NOx emissions from a diesel engine. NH3 (or urea) is injected between the LNT and the SCR. The SCR is used exclusively below 400°C due to its high NOx activity at low temperatures and due to its ability to store and release NH3 below 400°C, which helps to minimize NH3 and NOx slip. Above 400°C, where the NH3 storage capacity of the SCR falls to low levels, the LNT is used to store the NOx. A potassium-based LNT is utilized due to its high temperature NOx storage capability. Periodically, hydrocarbons are oxidized on the LNT under net lean conditions to promote the thermal release of the NOx. NH3 is injected simultaneously to reduce the released NOx over the SCR. The majority of the hydrocarbons are oxidized on the front portion of the LNT, resulting in the rapid release of stored NOx from that portion of the LNT.

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.

In an effort of providing better understanding of regeneration mechanisms of diesel particulate matter (PM), this experimental investigation focused on evaluating the amount of heat release generated during the thermal reaction of diesel PM and the concentrations of soluble organic compounds (SOCs) dissolved in PM emissions. Differences in oxidation behaviors were observed for two different diesel PM samples: a SOC-containing PM sample and a dry soot sample with no SOCs. Both samples were collected from a cordierite particulate filter membrane in a thermal reactor connected to the exhaust pipe of a light-duty diesel engine. A differential scanning calorimeter (DSC) and a thermogravimetric analyzer (TGA) were used to measure the amount of heat release during oxidation, along with subsequent oxidation rates and the concentrations of SOCs dissolved in particulate samples, respectively.

Lean gasoline engines offer greater fuel economy than the common stoichiometric gasoline engine, but the current three way catalyst (TWC) on stoichiometric engines is unable to control nitrogen oxide (NOX) emissions in oxidizing exhaust. For these lean gasoline engines, lean NOX emission control is required to meet existing Tier 2 and upcoming Tier 3 emission regulations set by the U.S. Environmental Protection Agency (EPA). While urea-based selective catalytic reduction (SCR) has proven effective in controlling NOX from diesel engines, the urea storage and delivery components can add significant size and cost. As such, onboard NH3 production via a passive SCR approach is of interest. In a passive SCR 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 operation, NOX passes through the TWC and is reduced by the stored NH3 on the SCR catalyst.

A commercial three-way catalyst (TWC) 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 low cost 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. NH3 generation was evaluated at different air-fuel equivalence ratios at multiple engine speed and load conditions. Near complete conversion of NOX to NH3 was achieved at λ=0.96 for nearly all conditions studied. At the λ=0.96 condition, HC emissions were relatively minimal, but CO emissions were significant.

A hybrid LNT+SCR system is used to control NOx from a light-duty diesel engine with in-cylinder regeneration controls. A diesel oxidation catalyst and diesel particulate filter are upstream of the LNT and SCR catalysts. Ultraviolet (UV) adsorption spectroscopy performed directly in the exhaust path downstream of the LNT and SCR catalysts is used to characterize NH3 production and utilization in the system. Extractive exhaust samples are analyzed with FTIR and magnetic sector mass spectrometry (H2) as well. Furthermore, standard gas analyzers are used to complete the characterization of exhaust chemistry. NH3 formation increases strongly with extended regeneration (or “over regeneration”) of the LNT, but the portion of NOx reduction occurring over the SCR catalyst is limited by the amount of NH3 produced as well as the amount of NOx available downstream of the LNT. Control of lean-rich cycling parameters enables control of the ratio of NOx reduction between the LNT and SCR catalysts.

The present study introduces a modeling approach for investigating the effects of valve events and gas exchange processes in the framework of a full-cycle HCCI engine simulation. A multi-dimensional fluid mechanics code, KIVA-3V, is used to simulate exhaust, intake and compression up to a transition point, before which chemical reactions become important. The results are then used to initialize the zones of a multi-zone, thermo-kinetic code, which computes the combustion event and part of the expansion. After the description and the validation of the model against experimental data, the application of the method is illustrated in the context of variable valve actuation. It has been shown that early exhaust valve closing, accompanied by late intake valve opening, has the potential to provide effective control of HCCI combustion.

An optical-based sensor for detecting particulate matter (PM) in diesel engine exhaust has been demonstrated. The position of the sensor during the experiments was the exhaust manifold prior to the turbocharger. The sensor is constructed of fiber optics which transmit 532-nm laser light into the exhaust pipe and collect backscattered light in a 180° geometry. Due to the optical nature of the probe, PM sensing can occur at high temporal rates. Experiments conducted by changing the fuel injection properties of one cylinder of a four cylinder engine demonstrated that the sensor can resolve cycle dependent events. The feasibility of the probe for examining PM emissions in the exhaust manifold will be discussed.

Lean NOx Trap (LNT) catalysts are capable of reducing NOx in lean exhaust from diesel engines. NOx is stored on the catalyst during lean operation; then, under rich exhaust conditions, the NOx is released from and reduced by the catalyst. The process of NOx release and reduction is called regeneration. One method of obtaining the rich conditions for regeneration is to inject additional fuel into the engine cylinders while throttling the engine intake air flow to effectively run the engine at rich air:fuel ratios; this method is called “in-cylinder” regeneration. In-cylinder regeneration of LNT catalysts has been demonstrated and is a candidate emission control technique for commercialization of light-duty diesel vehicles to meet future emission regulations. In the study presented here, a 1.7-liter diesel engine with a LNT catalyst system was used to evaluate in-cylinder regeneration techniques.

Measuring axial exhaust species concentration distributions within a wall-flow aftertreatment device provides unique and significant insights regarding the performance of complex devices like the SCR-on-filter. In this particular study, a less complex aftertreatment configuration which includes a DOC followed by two uncoated partial flow filters (PFF) was used to demonstrate the potential and challenges. The PFF design in this study was a particulate filter with alternating open and plugged channels. A SpaciMS [1] instrument was used to measure the axial NO2 profiles within adjacent open and plugged channels of each filter element during an extended passive regeneration event using a full-scale engine and catalyst system. By estimating the mass flow through the open and plugged channels, the axial soot load profile history could be assessed.

One challenge in meeting emission regulations with catalytic aftertreatment systems is maintaining the proper catalyst temperatures that enable the catalytic devices to perform the emissions reduction. In this study, in-cylinder techniques are used to actively control the temperature of a catalyzed diesel particulate filter (DPF) in order to raise the DPF temperature to induce particulate oxidation. The performance of four strategies is compared for two different starting DPF temperatures (150°C and 300°C) on a 4-cylinder 1.7-liter diesel engine. The four strategies include: (1) addition of extra fuel injection early in the combustion cycle for all four cylinders, (2) addition of extra fuel injection late in the combustion cycle for all four cylinders, (3) operating one-cylinder with extra fuel injection early in the combustion cycle, and (4) operating one-cylinder with extra fuel injection late in the combustion cycle.

Lean NOx trap (LNT) catalysts with different formulations have been characterized on a light-duty diesel engine platform. Two in-cylinder regeneration strategies were used during the study. The reductant chemistry differed for both strategies with one strategy having high levels of CO and H2 and the other strategy having a higher hydrocarbon component. The matrix of LNT catalysts that were characterized included LNTs with various sorbate loads and varying ceria content; the sorbate was Ba. Intra-catalyst measurements of exhaust gas composition were obtained at one quarter, one half, and three quarters of the length of the catalysts to better understand the affect of formulation on performance. Exhaust analysis with FTIR allowed measurement of NH3 and thereby, a measurement of N2 selectivity for the catalysts. Although overall NOx conversion increased with increasing sorbate load, the formation of NH3 increased as well.

At the current stage of engine technology, diesel engines typically require diesel particulate filter (DPF) systems to meet recent particulate emissions standards. To assure the performance and reliability of DPF systems, profound understanding of filtration and regeneration mechanisms is required. Among extensive efforts for developing advanced DPF systems, the development of effective thermal management strategies, which control the thermal runaway taking place in oxidation of an excess amount of soot deposit in DPF, is quite challenging. This difficulty stems mainly from lack of sufficient knowledge and understanding about DPF regeneration mechanisms, which need detailed information about oxidation of diesel particulate matter (PM). Therefore, this work carried out a series of oxidation experiments of diesel particulates collected from a DPF on a diesel engine, and evaluated the oxidation rates of the samples using a thermo-gravimetric analyzer (TGA).

Widespread implementation of homogeneous charge compression ignition (HCCI) engines is presently hindered by stability, control, and load range issues. Although the operable HCCI speed/load range is expanding, it is likely that the initial HCCI engines will rely on conventional combustion for part of the operating cycle. In the present study, we have investigated the role of fuel properties and chemistry on the operation of a spark-assisted gasoline HCCI engine. The engine employed is a single cylinder, 500 cc, port fuel injected research engine, operating near lambda = 1.0 and equipped with hydraulic variable valve actuation. HCCI is initiated by early exhaust valve closing to retain exhaust in the cylinder, thereby increasing the cylinder gas temperature. This is also referred to as a ‘negative overlap’ strategy.

Two hybrid powertrain configurations, including parallel and series hybrids, were simulated for fuel economy, component energy loss, and emissions control in Class 8 trucks over both city and highway driving conditions. A comprehensive set of component models describing engine fuel consumption, emissions control, battery energy, and accessory power demand interactions was developed and integrated with the simulated hybrid trucks to identify heavy-duty (HD) hybrid technology barriers. The results show that series hybrid is absolutely negative for fuel-economy improvement of long-haul trucks due to an efficiency penalty associated with the dual-step conversions of energy (i.e. mechanical to electric to mechanical).

Gas-to-Liquids (GTL) is a liquid diesel fuel produced from natural gas, which may have certain attributes different from conventional ultra low sulfur diesel (ULSD). In this investigation, GTL, ULSD, and their blends of 20% and 50% GTL in ULSD were tested in an older Mercedes C Class (MY1999, Euro 2) and a newer Opel Astra (MY2006, Euro 4) diesel vehicle to evaluate the performance in terms of fuel consumption and emissions. Each vehicle was pre-conditioned on-road with one tank full of test fuel before actual testing in a chassis dynamometer facility. Both vehicles were calibrated for European emission standards and operation, and they were not re-calibrated for the fuel tests at Argonne National Laboratory (ANL). In the two-vehicle EPA FTP-75, US06, and Highway drive-cycle tests, the emissions of carbon dioxide on a per-mile basis (g/mi) from all GTL-containing fuels were significantly lower than those from the ULSD.

Dual-fuel combustion using port-injection of low reactivity fuel combined with direct injection of a higher reactivity fuel, otherwise known as Reactivity Controlled Compression Ignition (RCCI), has been shown as a method to achieve high efficiency combustion with moderate peak pressure rise rates, low engine-out soot and NOx emissions. A key requirement for extending to high-load operation is reduce the reactivity of the premixed charge prior to the diesel injection. One way to accomplish this is to use a very low reactivity fuel such as natural gas. In this work, experimental testing was conducted on a 13L multi-cylinder heavy-duty diesel engine modified to operate using RCCI combustion with port injection of natural gas and direct injection of diesel fuel. Natural gas/diesel RCCI engine operation is compared over the EPA Heavy-Duty 13 mode supplemental emissions test with and without EGR.