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We present simulated fuel economy and emissions of city transit buses powered by conventional diesel engines and diesel-hybrid electric powertrains of varying size. Six representative city drive cycles were included in the study. In addition, we included previously published aftertreatment device models for control of CO, HC, NOx, and particulate matter (PM) emissions. Our results reveal that bus hybridization can significantly enhance fuel economy by reducing engine idling time, reducing demands for accessory loads, exploiting regenerative braking, and shifting engine operation to speeds and loads with higher fuel efficiency. Increased hybridization also tends to monotonically reduce engine-out emissions, but tailpipe (post-aftertreatment) emissions are affected by complex interactions between engine load and the transient catalyst temperatures, and the emissions results were found to depend significantly on motor size and details of each drive cycle.

We utilize physically-based models for diesel exhaust catalytic oxidation and urea-based selective catalytic NOx reduction to study their impact on drive cycle performance of hypothetical light-duty diesel-powered hybrid and plug-in hybrid vehicles (HEVs and PHEVs). The models have been implemented as highly flexible SIMULINK block modules that can be used to study multiple engine-aftertreatment system configurations. The parameters of the NOx reduction model have been adjusted to reflect the characteristics of commercially available Cu-zeolite catalysts, which are of widespread current interest. We demonstrate application of these models using the Powertrain System Analysis Toolkit (PSAT) software for vehicle simulations, along with a previously published methodology that accounts for emissions and temperature transients in the engine exhaust.

We compare the simulated fuel economy and emissions for both conventional and hybrid class 8 heavy-duty diesel trucks operating over multiple urban and highway driving cycles. Both light and heavy freight loads were considered, and all simulations included full aftertreatment for NOx and particulate emissions controls. The aftertreatment components included a diesel oxidation catalyst (DOC), urea-selective catalytic NOx reduction (SCR), and a catalyzed diesel particulate filter (DPF). Our simulated hybrid powertrain was configured with a pre-transmission parallel drive, with a single electric motor between the clutch and gearbox. A conventional heavy duty (HD) truck with equivalent diesel engine and aftertreatment was also simulated for comparison. Our results indicate that hybridization can significantly increase HD fuel economy and improve emissions control in city driving. However, there is less potential benefit for HD hybrid vehicles during highway driving.

NOx reduction product speciation during regeneration of a fully formulated lean NOx trap catalyst has been investigated using a bench-scale flow reactor. NH3 and N2O were both observed during the regeneration phase of fast lean/rich cycles that simulated engine operation. Formation of both products increased with higher reductant concentrations and lower temperatures. Steady flow experiments were used to decouple the regeneration reactions from the NOx storage and release processes. This approach enabled a detailed investigation into the reactions that cause both formation and destruction of non-N2 reduction products. Pseudo-steady state experiments with simultaneous flow of NOx and reductant indicated that high concentrations of CO or H2 drive the reduction reactions toward NH3 formation, while mixtures that are stoichiometric for N2 formation favor N2. These experiments also showed that NH3 is readily oxidized by both NO and O2 over the LNT catalyst.

In prior work, the EGR loop catalytic reforming strategy developed by ORNL has been shown to provide a relative brake engine efficiency increase of more than 6% by minimizing the thermodynamic expense of the reforming processes, and in some cases achieving thermochemical recuperation (TCR), a form of waste heat recovery where waste heat is converted to usable chemical energy. In doing so, the EGR dilution limit was extended beyond 35% under stoichiometric conditions. In this investigation, a Microlith®-based metal-supported reforming catalyst (developed by Precision Combustion, Inc. (PCI)) was used to reform the parent fuel in a thermodynamically efficient manner into products rich in H2 and CO. We were able to expand the speed and load ranges relative to previous investigations: from 1,500 to 2,500 rpm, and from 2 to 14 bar break mean effective pressure (BMEP).

Low temperature combustion (LTC) has been shown to yield higher brake thermal efficiencies with lower NOx and soot emissions, relative to conventional diesel combustion (CDC). However, while demonstrating low soot carbon emissions it has been shown that LTC operation does produce particulate matter whose composition appears to be much different than CDC. The particulate matter emissions from dual-fuel reactivity controlled compression ignition (RCCI) using gasoline and diesel fuel were investigated in this study. A four cylinder General Motors 1.9L ZDTH engine was modified with a port-fuel injection system while maintaining the stock direct injection fuel system. The pistons were modified for highly premixed operation and feature an open shallow bowl design. RCCI operation was carried out using a certification grade 97 research octane gasoline and a certification grade diesel fuel.

We report experimental observations of cyclic combustion variability during the transition between propagating flame combustion and homogeneous charge compression ignition (HCCI) in a single-cylinder, stoichiometrically fueled, spark-assisted gasoline engine. The level of internal EGR was controlled with variable valve actuation (VVA), and HCCI combustion was achieved at high levels of internal EGR using the VVA system. Spark-ignition was used for conventional combustion and was optionally available during HCCI. The transition region between purely propagating combustion and HCCI was mapped at multiple engine speeds and loads by incrementally adjusting the internal EGR level and capturing data for 2800 sequential cycles. These measurements revealed a complex sequence of high COV, cyclic combustion variations when operating between the propagating flame and HCCI limits.

Reducing criteria pollutants while reducing greenhouse gases is an active area of research for commercial on-road vehicles as well as for off-road machines. The heavy duty on-road sector has moved to reducing NOx by 82.5% compared to 2010 regulations while increasing the engine useful life from 435,000 to 650,000 miles by 2027 in the United States (US). An additional certification cycle, the Low Load Cycle (LLC), has been added focusing on part load operation having tight NOx emissions levels. In addition to NOx, the total CO2 emissions from the vehicle will also be reduced for various model years. The off-road market is following with a 90% NOx reduction target compared to Tier 4 Final for 130-560 kW engines along with greenhouse gas targets that are still being established. The off-road market will also need to certify with a Low Load Application Cycle (LLAC), a version of which was proposed for evaluation in 2021.

We describe novel results of ongoing research at 3DX-RAY Ltd and Oak Ridge National Laboratory using new, commercially available, nondestructive x-ray techniques to make engineering measurements of diesel particulate filters (DPF). Nondestructive x-ray imaging and data-analysis techniques were developed to detect and visualize the small density changes corresponding to the addition of substances such as soot and ash to DPF monoliths. The usefulness of this technique was explored through the analysis of field-aged samples, accelerated-aged samples, and the synthetic addition of ash and soot to clean DPF samples. We demonstrate the ability to visualize and measure flaws in substrates and quantify the distribution of ash and soot within the DPF. We also show that the technology is sensitive enough for evaluations of soot and ash distribution and thermal damage without removing the DPF from its metal casing.

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.

The use of fuel reformate from catalytic processes is known to have beneficial effects on the spark-ignited (SI) combustion process through enhanced dilution tolerance and decreased combustion duration, but in many cases reformate generation can incur a significant fuel penalty. In a previous investigation, the researchers showed that, by controlling the boundary conditions of the reforming catalyst, it was possible to minimize the thermodynamic expense of the reforming process, and in some cases, realize thermochemical recuperation (TCR), a form of waste heat recovery where exhaust heat is converted to usable chemical energy. The previous work, however, focused on a relatively light-load engine operating condition of 2000 rpm, 4 bar brake mean effective pressure (BMEP). The present investigation demonstrates that this operating strategy is applicable to higher engine loads, including boosted operation up to 10 bar BMEP.

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.

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.

A computational study using multi-dimensional CFD modeling was performed to investigate the effects of physical properties on diesel engine combustion characteristics with bio-diesel fuels. Properties of typical bio-diesel fuels that were either calculated or measured are used in the study and the simulation results are compared with those of conventional diesel fuels. The sensitivity of the computational results to individual physical properties is also investigated, and the results provide information about the desirable characteristics of the blended fuels. The properties considered in the study include liquid density, vapor pressure, surface tension, liquid viscosity, liquid thermal conductivity, liquid specific heat, latent heat, vapor specific heat, vapor diffusion coefficient, vapor viscosity and vapor thermal conductivity. The results show significant effects of the fuel physical properties on ignition delay and burning rates at various engine operating conditions.

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.

In the present study a reduced chemical reaction mechanism for biodiesel surrogate fuel was developed and validated for multi-dimensional engine combustion simulations. An existing detailed methyl butanoate mechanism that contained 264 species and 1219 reactions was chosen to represent the oxygenated portion of the fuel. The reduction process included flux analysis, ignition sensitivity analysis, and optimization of reaction rate constants under constant volume conditions. The current reduced mechanism consists of 41 species and 150 reactions and gives predictions in excellent agreement with those of the comprehensive mechanism. In order to validate the mechanism under biodiesel-fueled engine conditions, it was combined with another skeletal mechanism for n-heptane oxidation. This combined reaction mechanism can be used to adjust the energy content of the fuel, and account for diesel/biodiesel blend engine simulations.

We describe a CHEMKIN-based multi-zone model that simulates the expected combustion variations in a single-cylinder engine fueled with iso-octane as the engine transitions from spark-ignited (SI) combustion to homogenous charge compression ignition (HCCI) combustion. The model includes a 63-species reaction mechanism and mass and energy balances for the cylinder and the exhaust flow. For this study we assumed that the SI-to-HCCI transition is implemented by means of increasing the internal exhaust gas recirculation (EGR) at constant engine speed. This transition scenario is consistent with that implemented in previously reported experimental measurements on an experimental engine equipped with variable valve actuation. We find that the model captures many of the important experimental trends, including stable SI combustion at low EGR (~0.10), a transition to highly unstable combustion at intermediate EGR, and finally stable HCCI combustion at very high EGR (~0.75).

We summarize results from comparative simulations of hybrid electric vehicles with either stoichiometric gasoline or diesel engines. Our simulations utilize previously published models of transient engine-out emissions and models of aftertreatment devices for both stoichiometric and lean exhaust. Fuel consumption and emissions were estimated for comparable gasoline and diesel light-duty hybrid electric vehicles operating over single and multiple urban drive cycles. Comparisons between the gasoline and diesel vehicle fuel consumptions and emissions were used to identify potential advantages and technical barriers for diesel hybrids.

Internal combustion engines are operated under conditions of high exhaust gas recirculation (EGR) to reduce NOx emissions and promote enhanced combustion modes such as HCCI. However, high EGR under certain conditions also promotes nonlinear feedback between cycles, leading to the development of combustion instabilities and cyclic variability. We employ a two-zone phenomenological combustion model to simulate the onset of combustion instabilities under highly dilute conditions and to illustrate the impact of these instabilities on emissions and fuel efficiency. The two-zone in-cylinder combustion model is coupled to a WAVE engine-simulation code through a Simulink interface, allowing rapid simulation of several hundred successive engine cycles with many external engine parametric effects included.

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.