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The compatibility of notable infrastructure elastomers and plastics with DME and its blends with diesel fuel were examined using solubility analysis. The elastomer materials were fluorocarbon, acrylonitrile butadiene rubber (NBR), styrene butadiene (SBR), neoprene, polyurethane and silicone. Plastic materials included polyphenylene sulfide (PPS), polyethylene terephthalate (PET), polytetrafluoroethylene (PTFE), polyvinylidene fluoride (PVDF), polyoxymethylene (POM), polybutylene terephthalate (PBT), polypropylene (PP), high density polyethylene (HDPE), along with several nylon grades and thermosetting resins. These materials have been rigorously studied with other fuel types, and their volume change results were found to correspond well with their predicted solubility levels. A Hansen solubility analysis was performed for each material with DME, diesel, and blends of both fuel components.

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).

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.

Fuel injection into the negative valve overlap (NVO) period is a common method for controlling combustion phasing in homogeneous charge compression ignition (HCCI) and other forms of advanced combustion. When fuel is injected into O2-deficient NVO conditions, a portion of the fuel can be converted to products containing significant levels of H2 and CO. Additionally, other short chain hydrocarbons are produced by means of thermal cracking, water-gas shift, and partial oxidation reactions. The present study experimentally investigates the fuel reforming chemistry that occurs during NVO. To this end, two very different experimental facilities are utilized and their results are compared. One facility is located at Oak Ridge National Laboratory, which uses a custom research engine cycle developed to isolate the NVO event from main combustion, allowing a steady stream of NVO reformate to be exhausted from the engine and chemically analyzed.

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.

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.

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.

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.

Diesel particulate samples were collected from a light duty engine operated at a single speed-load point with a range of biodiesel and conventional fuel blends. The oxidation reactivity of the samples was characterized in a laboratory reactor, and BET surface area measurements were made at several points during oxidation of the fixed carbon component of both types of particulate. The fixed carbon component of biodiesel particulate has a significantly higher surface area for the initial stages of oxidation, but the surface areas for the two particulates become similar as fixed carbon oxidation proceeds beyond 40%. When fixed carbon oxidation rates are normalized to total surface area, it is possible to describe the oxidation rates of the fixed carbon portion of both types of particulates with a single set of Arrhenius parameters. The measured surface area evolution during particle oxidation was found to be inconsistent with shrinking sphere oxidation.

A transient, one-dimensional lean NOx trap (LNT) model is described and implemented for vehicle systems simulations. The model accounts for conservation of chemical species and thermal energy, and includes the effects of O₂ storage and NOx storage (in the form of nitrites and nitrates). Nitrites and nitrates are formed by diffusion of NO and NO₂, respectively, into sorbent particles, and reaction rates are controlled by chemical kinetics and solid-phase diffusion. The model also accounts for thermal aging and sulfation by means of empirical correlations, which have been derived from laboratory experiments. Example simulation results using the Powertrain Systems Analysis Toolkit (PSAT) are presented.

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).

This article presents nondestructive neutron computed tomography (nCT) measurements of Diesel Particulate Filters (DPFs) as a method to measure ash and soot loading in the filters. Uncatalyzed and unwashcoated 200cpsi cordierite DPFs exposed to 100% biodiesel (B100) exhaust and conventional ultra low sulfur 2007 certification diesel (ULSD) exhaust at one speed-load point (1500 rpm, 2.6 bar BMEP) are compared to a brand new (never exposed) filter. Precise structural information about the substrate as well as an attempt to quantify soot and ash loading in the channel of the DPF illustrates the potential strength of the neutron imaging technique.

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.

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.

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.

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.

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.

We investigate lean-fueling cyclic dispersion in spark ignition engines in terms of experimental nonlinear mapping functions representing the connection between past and future combustion events. Nonlinear mapping functions provide a relatively easy method for identifying the deterministic dynamics associated with lean combustion instability, even in the presence of very high levels of noise. Observed experimental maps appear to have strong similarities to those predicted by an existing nonlinear spark ignition engine model. Differences between the observed map and model predictions become more pronounced at very lean fueling and high residual fraction. Map function details are shown to be useful in model validation, identifying model deficiencies, and comparing the characteristics of different engines. We expect that such maps will also be useful for developing real-time control strategies.

This paper describes the reduction of cyclic combustion variations in spark-ignited engines, especially under idle conditions in which the air-fuel mixture is lean of stoichiometry. Under such conditions, the combination of residual cylinder gas and parametric variations (such as variations in fuel preparation) gives rise to significant combustion instabilities that may lead to customer-perceived engine roughness and transient emissions spikes. Such combustion instabilities may preclude operation at air-fuel ratios that would otherwise be advantageous for fuel economy and emissions. This approach exploits the recognition that a component of the observed combustion instability results from a noise-driven, nonlinear deterministic mechanism that can be actively stabilized by small feedback control actions which result in little if any additional use of fuel.

We describe a method for detecting and quantifying time irreversibility in experimental engine data. We apply this method to experimental heat-release measurements from four spark-ignited engines under leaning fueling conditions. We demonstrate that the observed behavior is inconsistent with a linear Gaussian random process and is more appropriately described as a noisy nonlinear dynamical process.