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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Durability, Performance, and Emission of Diesel Engines Using Carbon Fiber Piston and Liner

This report summarizes the research conducted by NC State University in investigating the durability, performance and emission of a carbon fiber piston and liner in our single cylinder research Diesel engine. Both the piston and liner were supplied to NC State University by NASA LaRC and manufactured by C-CAT under a separate contract to NASA LaRC. The carbon-carbon material used to manufacture the piston and liner has significantly lower thermal conductivity, coefficient of thermal expansion, and superior strength characteristics at elevated temperatures when compared to conventional piston materials such as aluminum. The results of the carbon-carbon fiber piston testing were compared to a baseline configuration, which used a conventional aluminum piston in a steel liner. The parameters measured were the brake specific fuel consumption, ignition delay, frictional horsepower, volumetric efficiency, and durability characteristics of the two pistons. Testing was performed using a naturally aspirated Labeco Direct Injection single cylinder diesel engine. Two test cases were performed over a range of loads and speeds. The fixed test condition between the aluminum and carbon-carbon piston configurations was the brake mean effective pressure. The measured data was the fuel consumption rate, volumetric efficiency, load, speed, cylinder pressure, needle lift, and exhaust gas temperature. The cylinder pressure, and fuel consumption, exhaust gas temperature, and needle lift were recorded using a National Instruments DAQ board and a PC. All test cases used Diesel no. 2 for fuel.

Afify, E. M.↗
DOE OSTI2023

Lubricant impacts on piston deposit formation in the Enterprise marine diesel research engine

The impact of lubricant formulation on piston deposits was studied using the Enterprise, a reduced-scale, single-cylinder, two-stroke crosshead marine diesel research engine. The Enterprise engine was specially designed for marine diesel lubricant research, with a custom reduced-scale cylinder lubricant injection system and extensive instrumentation of thermal boundary conditions on both the liner and piston. Lubricant conditions typical of full-scale marine diesel engines are obtained by matching mean piston speed, liner temperature profile, and combustion metrics to realistic values.Piston deposit thicknesses were measured after a set period of operation, with a focus on lubricant-based deposits on the lands and ring grooves, using both optical and contact-based measurement techniques. Engine operation for each lubricant was conducted according to a standardized protocol, with precise control of engine speed and load, cylinder lubricant injection rate, coolant temperatures, and system oil temperature; the liner and piston temperatures are continuously monitored during operation. After operation with each lubricant was completed, the engine was disassembled, and the piston and ring deposits were characterized. The piston was then thoroughly cleaned, and the lubricant system flushed, between each lubricant formulation being evaluated. The impacts on piston deposits of the lubricants being evaluated can thus be accurately quantified and are described herein.

Kaul, Brian↗
DOE OSTI2023

Effects of soybean varieties on life-cycle greenhouse gas emissions of biodiesel and renewable diesel

This study presents a life-cycle analysis (LCA) of the greenhouse gas (GHG) emissions of biodiesel (BD) and renewable diesel (RD) produced from soybean varieties with altered oil profiles and meal composition. The varieties evaluated include those with high oleic oil content (78% of oil being oleic oil vs. the current content of 25%), high lipid content (25% vs. the current content of 19%) or high protein content (45% vs. the current content of 35%). The results suggest that high-oleic soybean oil could reduce GHG emissions of RD by 1 g CO 2 e/MJ by reducing hydrogen consumption in the hydro-treating stage of RD production. With the default allocation method (mass-based allocation between oil and meal), changes in lipid and protein contents have negligible impacts on GHG emissions of BD/RD pathways. Since high-protein soybean meal has a higher nutrient value, we employed the market-based allocation for sensitivity analysis. Assuming a market price of $1.17/dry kg and an average of two substitute feeds with similar protein contents (corn gluten and fish meal), the allocation factor for soybean meal increases from 63 to 81%. Compared with the results for the case with commodity soybean using mass allocation, GHG emissions could be 1.9 and 1.8 g CO 2 e/MJ lower for BD and RD, respectively. In addition to product-level LCA, we employed a land-based LCA to evaluate the effect of soybean properties on product slates with the same land area and the associated displacement of conventional products. The results suggest that high-lipid soybeans may offer more GHG savings than other varieties as the higher BD/RD yield replaces more fossil diesel. © 2023 UChicago Argonne, LLC, Operator of Argonne National Laboratory and Northrup, Ag. Biofuels, Bioproducts and Biorefining published by Society of Industrial Chemistry and John Wiley & Sons Ltd.

09 BIOMASS FUELS↗
DOE OSTI2020

Investigation of fouling mechanisms for diesel engine exhaust heat recovery

The effect of diesel engine exhaust fouling on heat and mass exchangers for waste heat recovery is investigated. Experiments are conducted for a range of operating conditions relevant to the use of the waste heat from a diesel engine for powering a 2.71 kW capacity absorption heat pump. Thermal resistances of fouling layers as well as their effects on pressure drop are determined, and the underlying mechanisms for deposition and removal are investigated. Fouling layer effects are most severe for the lowest coolant temperatures and 100% generator load. At these conditions, the fouling thermal resistance is approximately 70% of the total resistance, and the ratio of the steady-state pressure drop to the baseline pressure drop is 3.25. Flow induced shear is found to be the primary growth inhibiting mechanism at high exhaust velocities. Findings from this study can guide heat exchanger design for a variety of waste heat recovery systems.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2025

Renewable diesel and bio-aromatics production from waste cooking oil using ethanol as a hydrogen donor in deoxygenation reaction

Biofuels offer a promising solution in the fight against climate change. With a global increase in waste cooking oil, this research investigated the production of bio-hydrogenated diesel (BHD) from waste cooking oil, using ethanol as a hydrogen donor in the deoxygenation process. A hydrolyzed waste cooking oil model compound served as the feedstock, and the deoxygenation was performed at 300–400 °C. The catalysts used in the experiments were 2.6 wt% Ni and 7.8 wt% Mo (2.6Ni-7.8Mo) and 10 wt% Ni and 5 wt% Mo (10Ni-5Mo) on γ-Al 2 O 3 . The results showed that ethanol is an effective hydrogen donor for biofuel production without the need for external hydrogen at an elevated pressure. The increasing temperature enhanced the free fatty acid (FFA) conversion and n-alkane selectivity in the oil product, with the highest FFA conversion and alkane selectivity of 100 % and 46 %, respectively, observed at 400 °C for the sulfided 10Ni-5Mo catalyst. On the other hand, 2.6Ni-7.8Mo offers 100 % FFA conversion with a lower n-alkane selectivity of 35 % at identical temperatures. The total acid number (TAN) of the oil products decreased from 174.03 mg KOH/g of feedstock to 9.43 and 8.67 mg KOH/g with the sulfided 2.6Ni-7.8Mo and 10Ni-5Mo catalysts, respectively. Both the catalysts achieved similar heating values (~43 MJ/kg) at 400 °C. This is a significant improvement to the HHV of the feedstock, which was 36.02 MJ/kg. Additionally, aromatic compounds, mainly BTXE (benzene, toluene, xylene, and ethylbenzene), were also produced. Compared to glycerol as a hydrogen donor, ethanol more effectively increased n-alkane selectivity due to its higher effective hydrogen-to-carbon ratio (H/C eff ). Conversely, glycerol was more advantageous for achieving greater selectivity towards BTXE compounds due to its lower H/C eff , which potentially leads to coke formation. Since aromatic compounds are intermediates in coke production, glycerol provides higher aromatic selectivity than ethanol. Finally, this study presents an alternative pathway for producing diesel fuel from waste cooking oil using ethanol as a hydrogen donor.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Development of simplified model for injection rate prediction of diesel injectors during transient and steady operation

Determining the injection rate of the diesel injector during the transient short injection operations is a critical matter to enhance the combustion process by improving air/fuel mixture formation. In this regard, numerous injection models have been suggested in the literature to predict the injection rate accurately. However, such algorithms have not precisely predicted the rate of injection (ROI) in transient short injection events. In addition, most of those models require many input parameters to characterize hydraulic and mechanical subsystems in the injector, which can make them inconvenient to tune for different injector specifications, in other words not suitable for universal usage. Therefore, our study aims to develop a simple injection model that can predict injection rate precisely in the short and long injection durations considering relatively fewer input parameters. The model traces the pressure variation inside the sac based on the bulk modulus theory to predict nozzle exit velocity, thus the injection rate of the injector. In the algorithm, the bulk modulus of fuel (E) and discharge coefficients of the nozzle hole and needle seat (C d,H and C d,N ) have been considered to vary rather than set constant during the injection process since such flow parameters would have a critical impact on the flow development at the transient stage, thus affecting the injection rate of diesel injectors. Here with this modelling strategy, the accuracy of the new model on ROI prediction was confirmed with acceptable model error for both short and long injection durations by validating against experimental results. To understand the effect of the new model scheme on ROI prediction, ROI results with the new model have been discussed by comparing it with the ROI results predicted with constant flow parameters.

42 ENGINEERING↗
DOE OSTI2023

A computational parametric study of ducted fuel injection implementation in a heavy-duty diesel engine

Experiments have shown that ducted fuel injection (DFI) effectively reduces soot emissions from direct-injection diesel engines. Although many computational studies have evaluated DFI’s spray development and soot reduction mechanisms in constant volume chambers, only limited computational work on internal combustion engines exists. The DFI duct assembly changes the engine’s in-cylinder flow, spray, and combustion development. Therefore, current production engine designs might not be optimal for achieving the best engine performance with DFI. Here, this work conducted an extensive numerical study to evaluate how parameter changes affect DFI performance. The parameters include swirl ratio, piston geometry, compression ratio (CR), number of injector orifices, split injection strategy, and exhaust gas recirculation (EGR) in a heavy-duty diesel engine utilizing DFI. The combustion and soot emission data from the Sandia compression ignition optical research engine were used for model validation. Simulations showed that an increased swirl ratio resulted in more intense jet flame-piston interaction, slowing down the combustion heat release during the late combustion stage and leading to lower indicated thermal efficiency (ITE) due to higher exhaust losses. A piston-bowl design with a reentrant inner piston edge yielded the highest thermal efficiency, due to the reduced cylinder head heat transfer loss. Additional injector orifices led to higher efficiency owing to a more advanced combustion phasing. Nevertheless, the maximum pressure rise rate (MPRR) and oxides of nitrogen (NO x ) emissions also increased with the number of injector orifices due to more rapid heat release and higher combustion temperature. Implementation of a split injection strategy combined with a higher EGR rate effectively inhibited the excessive MPRR and NO x formation. In general, the study concluded that DFI is not sensitive to most parameter changes but will benefit from future parameter optimization.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

An a priori evaluation of a principal component and artificial neural network based combustion model in diesel engine conditions

A principal component analysis (PCA) and artificial neural network (ANN) based chemistry tabulation approach is presented. ANNs are used to map the thermochemical state onto a low-dimensional manifold consisting of five control variables that have been identified using PCA. Three canonical configurations are considered to train the PCA-ANN model: a series of homogeneous reactors, a nonpremixed flamelet, and a two-dimensional lifted flame. The performance of the model in predicting the thermochemical manifold of a spatially-developing turbulent jet flame in diesel engine thermochemical conditions is a priori evaluated using direct numerical simulation (DNS) data. The PCA-ANN approach is compared with a conventional tabulation approach (tabulation using ad hoc defined control variables and linear interpolation). The PCA-ANN model provides higher accuracy and requires several orders of magnitude less memory. Here, these observations indicate that the PCA-ANN model is superior for chemistry tabulation, especially for modelling complex chemistries that present multiple combustion modes as observed in diesel combustion. The performance of the PCA-ANN model is then compared to the optimal estimator, i.e. the conditional mean from the DNS. The results indicate that the PCA-ANN model gives high prediction accuracy, comparable to the optimal estimator, especially for major species and the thermophysical properties. Higher errors are observed for the minor species and reaction rate predictions when compared to the optimal estimator. It is shown that the prediction of minor species and reaction rates can be improved by using training data that exhibits a variation of parameters as observed in the turbulent flame. The output of the ANN is analysed to assess mass conservation. It is observed that the ANN incurs a mean absolute error of 0.05% in mass conservation. Furthermore, it is demonstrated that this error can be reduced by modifying the cost function of the ANN to penalise for deviation from mass conservation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Influence of pilot-fuel mixing on the spatio-temporal progression of two-stage autoignition of diesel-sprays in low-reactivity ambient fuel-air mixture

The spatial and temporal locations of autoignition for direct-injection compression-ignition engines depend on fuel chemistry, temperature, pressure, and mixing trajectories in the fuel jets. Dual-fuel systems can provide insight into both fuel-chemistry and physical effects by varying fuel reactivities and engine operating conditions. In this context, the spatial and temporal progression of two-stage autoignition of a diesel-fuel surrogate, n-heptane, in a lean-premixed charge of synthetic natural-gas (NG) and air is imaged in an optically accessible heavy-duty diesel engine. The lean-premixed charge of NG is prepared by fumigation upstream of the engine intake manifold. Optical diagnostics include high-speed (15kfps) cool-flame chemiluminescence-imaging as an indicator of low-temperature heat-release (LTHR) and OH* chemiluminescence-imaging as an indicator high-temperature heat-release (HTHR). NG prolongs the ignition delay of the pilot fuel and increases the combustion duration. Zero-dimensional chemical-kinetics simulations provide further understanding by replicating a Lagrangian perspective for mixtures evolving along streamlines originating either at the fuel nozzle or in the ambient gas, for which the pilot-fuel concentration is either decreasing or increasing, respectively. The zero-dimensional simulations predict that LTHR initiates most likely on the air streamlines before transitioning to HTHR, either on fuel-streamlines or on air-streamlines in regions of near-constant φ. Due to the relatively short pilot-fuel injection-durations, the transient increase in entrainment near the end of injection (entrainment wave) is important for quickly creating auto-ignitable mixtures. To achieve desired combustion characteristics, e.g., multiple ignition-kernels and favorable combustion phasing and location (e.g., for reducing wall heat-transfer or optimizing charge stratification), adjusting injection parameters could tailor mixing trajectories to offset changes in fuel ignition chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Biphasic Janus Particles Explain Self-Healing in Pt–Pd Diesel Oxidation Catalysts

The addition of Pd to Pt-based diesel oxidation catalysts is known to enhance performance and restrict the anomalous growth of Pt nanoparticles when subjected to aging at high temperatures in oxidative environments. To gain a mechanistic understanding, we studied the transport of the mobile Pt and Pd species to the vapor phase, since vapor phase transport is the primary route for sintering in these catalysts. The results are surprising: there is a 30-fold drop in the effective vapor pressure of Pt in the Pt-Pd catalysts compared to monometallic Pt. At the same time, there is a significant enhancement in the vapor pressure of Pd, compared to PdO, which otherwise has a negligible vapor pressure at the aging temperature. Such behavior cannot be explained simply by alloying Pt and Pd in the metallic phase, or a core-shell morphology where a PdO shell covers a Pt core. Transmission electron microscopic examination of catalysts aged up to 50 h in air at 800 °C shows that the particles exhibit a biphasic “Janus”-like structure. The metal and oxide phases are conjoined, exposing a metal and an oxide face to the gas phase. The high mobility of the Pt and Pd allows them to be partitioned into the metal and oxide phases, in apparent thermodynamic equilibrium. The PdO helps to trap mobile PtO2 and as a result contains high concentrations of Pt oxide, consistent with its role in mitigating the transport of Pt to the vapor phase and preventing the growth of anomalously large particles. In turn, Pt allows Pd to remain metallic, allowing the catalyst to retain both metal and oxide functionality for catalysis. The regeneration of deactivated catalysts typically requires an external input, such as a change in the working environment from reducing to oxidizing or vice-versa. Here, we show that the mobile species, which are primary contributors to catalyst sintering are effectively returned to the active site, hence our use of the term “selfhealing”. The detailed insights into the inner workings of the Pt-Pd diesel oxidation catalysts can help provide clues to the design of robust and durable heterogeneous catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Effects of a CFD-improved dimple stepped-lip piston on thermal efficiency and emissions in a medium-duty diesel engine

Diesel piston-bowl shape is a key design parameter that affects spray-wall interactions and turbulent flow development, and in turn affects the engine’s thermal efficiency and emissions. It is hypothesized that thermal efficiency can be improved by enhancing squish-region vortices as they are hypothesized to promote fuel-air mixing, leading to faster heat-release rates. However, the strength and longevity of these vortices decrease with advanced injection timings for typical stepped-lip (SL) piston geometries. Dimple stepped-lip (DSL) pistons enhance vortex formation at early injection timings. Previous engine experiments with such a bowl show 1.4% thermal efficiency gains over an SL piston. However, soot was increased dramatically [SAE 2022-01-0400]. In a previous study, a new DSL bowl was designed using non-combusting computational fluid dynamic simulations. This improved DSL bowl is predicted to promote stronger, more rotationally energetic vortices than the baseline DSL piston: it employs shallower, narrower, and steeper-curved dimples that are placed further out into the squish region. In the current experimental study, this improved bowl is tested in a medium-duty diesel engine and compared against the SL piston over an injection timing sweep at low-load and part-load operating conditions. No substantial thermal efficiency gains are achieved at the early injection timing with the improved DSL design, but soot emissions are lowered by 45% relative to the production SL piston, likely due to improved air utilization and soot oxidation. However, these benefits are lost at late injection timings, where the DSL piston renders a lower thermal efficiency than that of the SL piston. Energy balance analyses show higher wall heat transfer with the DSL piston than with the SL piston despite a 1.3% reduction in the piston surface area. Vortex enhancement may not necessarily lead to improved efficiency as more energetic squish-region vortices can lead to higher convective heat transfer losses.

42 ENGINEERING↗
DOE OSTI2023

Multi-injection investigation of a high-volatility diesel in advanced compression ignition combustion for NO x control

Traditional selective catalytic reduction aftertreatment technologies used to reduce [Formula: see text] are very limited at exhaust temperatures below [Formula: see text]. Therefore, under these low engine load conditions, having effective in-cylinder control of [Formula: see text] emissions is important. Previous work by the authors explored the effect of fuel physical properties on the ability to control [Formula: see text] in-cylinder. That work was limited to one direct injection near top dead center. Modern diesel high-pressure fuel systems have the capability of five or more injections in one engine cycle. A higher-volatility diesel fuel and high amounts of exhaust gas recirculation to delay ignition could provide an opportunity for reduction in engine-out [Formula: see text] through an increased level of fuel premixing. By appropriately timing multiple short injections, a more optimal distribution of fuel in-cylinder may be achieved, which could reduce [Formula: see text] while maintaining an efficient combustion phasing. A computational fluid dynamics model previously validated against experimental data was used to explore several injection strategies with increased levels of fuel premixing to assess the potential trade-offs between [Formula: see text] and CO/unburned hydrocarbon (UHC) emissions and thus reduce reliance on the aftertreatment system for [Formula: see text] control. The results show that the devised injection strategies resulted in an increased level of fuel premixing. However, none of the attempted injection strategies resulted in significant [Formula: see text] reductions, and all strategies showed a significant increase in CO and UHC emissions.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Hybrid Heavy Duty Diesel Powertrain for Off-Road Applications (Final Technical/Scientific Report)

In this program, a heavy-duty hybrid powersystem, consisting of a 30% downsized diesel engine and a front-end accessory drive (FEAD) incorporating a high-speed flywheel (HSFW) energy storage system, a mechanical-drive turbocharger (SuperTurbo), and motor-generator units (MGU) was developed and demonstrated. The high efficiency core 13L engine coupled with the hybrid elements was physically validated across various off-road machine and transient work cycles with the ultimate goal of demonstrating 17% efficiency improvement with equivalent transient response as the 18L diesel engine this concept powersystem would replace. The project culminated in a physical demonstration of the high-efficiency powersystem in a high-capability test cell with the engine, all the hybrid devices, controls, and required performance and emissions measurements. Based on the combination of physical validation and rigorous system simulation, the following program conclusions may be drawn: (1) The developed hybrid H2D2 powersystem demonstrated a range of efficiency improvement of 10.5 - 25.6%, with a midpoint of 17.9%; (2) Transient load response on; (3) The HSFW system was validated to achieve peak assisting of 110kW at 12,000 Nm/sec ramp rates; (4) The powersystem was validated to be capable of meeting U.S. EPA Tier 4 Final off-road emissions through transient NRTC testing; (5) A Total Cost of Ownership (TCO) analysis and found that the core 13L engine would pay back immediately (adoption of start/stop would pay back in less than one year, and the full hybrid system payback was three years.)

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

Ducted Fuel Injection And Cooled Spray Technologies For Particulate Control In Heavy-duty Diesel Engines (Final Report)

Cooled Spray (CS) and Ducted Fuel Injection (DFI) are in-cylinder technologies for diesel engines that can reduce particulate matter and soot emissions and data has been published showing that these technologies can reduce soot emissions by 75-100% for some engines at some operating conditions. However, little is known about scaling the devices for engine size. Additionally, the performance of either technology over the engine duty cycle has not been explored. This project addresses both of these points through single-cylinder engine investigations. The objectives of this project are to provide details about dimensional scaling of these devices and to demonstrate 75% PM reduction over a range of operating conditions on a single-cylinder engine. Two engines were used for this project: a 125mm bore optically accessible engine at Sandia National Laboratories and a 168mm bore metal engine at Southwest Research Institute. The optical engine was used to study the performance of DFI and CS inserts for a large injector orifice diameter injector that is characteristic of a locomotive engine and to perform scaling studies for DFI. The metal engine was used to perform scaling and alignment studies for CS and to evaluate the technology for both EGR and non-EGR engines over the engine operating map. Modifications were required for both engines to accept the prototype inserts being tested. The optical engine required a new fuel injector, cylinder head and piston so that tests could be run at the pressures and engine speeds required. Additionally, a novel rotating stage was designed for the optical engine to simplify alignment of the modules. The metal engine required a modified cylinder head to accept CS inserts and a modified piston to provide additional space around the fuel injector for the CS inserts. Tests on the optical engine showed that DFI reduces PM emissions for both small injector orifices (0.170mm diameter) and large injector orifices (0.290mm). For high load testing, the DFI modules were not as effective as at low load testing, but it was acknowledged that minimal geometric optimization was performed and more improvements may be possible. Comparing DFI to CS and conventional diesel combustion (CDC), DFI performed better than CS or CDC. The CS geometries used in these studies may not be ideal for that engine and additional modifications likely would improve performance. Tests on the metal engine showed PM reductions as high has 80% at some operating conditions with duty-cycle PM reductions of ~50% for EGR and non-EGR configurations. The CS testing on the metal engine showed that chamfering of the fuel passage inlet either through hydro-erosion or mechanical grinding provided significant improvements in the PM reduction capabilities of the insert. Additionally, alignment sensitivities were explored and the data show that the tolerance to misalignment is approximately 0.05 to 0.1mm for the inserts that were studied here. Air-fuel ratio was shown to be important in the effectiveness of the CS inserts. In several tests, it was shown that the CS inserts are more effective at reducing the PM for high-AFR operating conditions compared to low AFR conditions. In summary, multiple designs were evaluated on both engines. It was found that for the conditions and configurations studied here, a fuel passage diameter of ~2.5mm performed best overall. Significant duty-cycle PM reductions are possible using these technologies and sensitivities to AFR, alignment fuel passage diameter and inlet fuel passage shaping were explored and are reported here. More PM reduction may be possible with improved geometric design and attention to alignment practices.

02 PETROLEUM↗
DOE OSTI2026

Biochemical Conversion of Herbaceous Biomass to Renewable Diesel: Biorefinery Marginal Air Quality Impacts and Comparison to Feedstock Production

This study assesses the air quality impacts of an advanced biorefinery that produces renewable diesel blendstock (RDB) from lignocellulosic biomass via aerobic respiration (Davis et al. 2022) by estimating fine particulate matter (PM2.5) impacts from biorefinery emissions. It continues a prior analysis that used a geospatial assessment to identify source regions for biomass feedstocks and studied the impact of feedstock production emissions on air quality (Thind et al. 2022). Thind et al. (2022) identified RDB biorefineries that can use corn stover feedstocks of 2,000; 5,200; and 9,100 dry metric tons per day (DMT/day), based in Iowa, and suggested 7 unique counties can serve as hosts for a biorefinery that draws biomass feedstock from neighboring counties. Given 13 unique county-biorefinery size combinations and two waste lignin end uses at the biorefinery (lignin as a fuel for electricity generation and lignin for pellet production), the air-quality-related sustainability aspects of each of these 26 scenarios are assessed by estimating the annual average impacts of biorefinery emissions on the dispersion and formation of secondary PM2.5 in the atmosphere using a novel reduced-complexity air quality model called the Intervention Model for Air Pollution (InMAP). The 26 biorefinery design combinations help capture how a biorefinery's emissions of air pollutants and their resulting impact on local and regional air quality are influenced by the magnitude of production scale, lignin utilization strategy, and location of a proposed biorefinery. Methods developed in Thind et al. (2022) are applied to estimate the constraints on primary PM2.5 and secondary PM2.5 precursor emissions based on compliance with U.S. Environmental Protection Agency's (EPA's) annual primary National Ambient Air Quality Standard (NAAQS) of PM2.5 (i.e.12.0 micrograms per cubic meter (microgram/m3)) at downwind receptors of a biorefinery. Incremental PM2.5 concentrations caused by the emission of biorefining corn stover into RDB are assessed and compared to those of corn stover production. To illuminate which upstream supply chain stage of renewable diesel production contributes most to air quality impacts, marginal PM2.5 concentrations are compared between both stages at multiple downwind air quality monitor locations. In addition, through a hotspot analysis, we identify the primary contributing factors of emissions within the feedstock production and biorefinery stage operations. In doing so, we provide insights for improving the air pollutant emission-related sustainability of advanced lignocellulosic biofuel production.

09 BIOMASS FUELS↗
DOE OSTI2025

Active and Stable PtPd Diesel Oxidation Catalysts under Industry‐Defined Test Protocols

Nanoparticle-supported Pt and Pd catalysts are employed industrially to convert CO and hydrocarbon residue from incomplete diesel fuel combustion into more environmentally-benign products. However, these catalysts deactivate over time due to sintering, especially for Pt nanoparticles which readily generate volatile species under high operating temperatures. Here, we turned the detrimental vapor-mediated sintering of Pt into an advantage by using a physical mixture of Pt and Pd catalysts prepared using a raspberry-colloid-templating (RCT) method. The RCT method produced Pt/Al 2 O 3 and Pd/Al 2 O 3 catalysts with partially embedded NPs to inhibit surface-mediated sintering pathways. As validated using an industry-defined emission control test protocol, aging a physical mixture of Pt/Al 2 O 3 and Pd/Al 2 O 3 at high temperature produced an alloyed PtPd/Al 2 O 3 catalyst that outperformed the fresh catalyst mixture and both individual catalysts for hydrocarbon conversion, while exhibiting high catalytic stability and resistance to sintering and to SO 2 poisoning. X-ray photoelectron spectroscopy revealed that in the aged catalyst mixture, half of the Pd content existed in the more active metallic state, compared to the less active oxide forms in the fresh mixture and both individual catalysts, explaining the unusual activity enhancement. Our results represent a practical approach to producing active and stable PtPd/Al 2 O 3 diesel oxidation catalysts for emission control applications.

Lim, Kang Rui Garrick [Harvard University, Cambrid↗
DOE OSTI2025

Computational diagnostics and characterization of combustion recession in diesel sprays

While low-temperature combustion (LTC) strategies have been found to mitigate nitrogen oxides and particulate matter emissions in diesel engines, studies have also associated LTC with an increase in unburnt hydrocarbons. With more recent studies on diesel after end-of-injection (AEOI), combustion recession is identified as a phenomenon where at near nozzle region, high-temperature ignition (HTI) combustion can propagate back to the nozzle tip consuming the unburnt hydrocarbons AEOI. Current literature has suggested that combustion recession is controlled by auto-ignition. However, high-fidelity simulations and detailed analysis of such a mechanism are missing. In this study, comprehensive Large Eddy Simulations of a reacting spray at “Spray A” conditions are performed, where detailed analysis of combustion recession concerning flame morphology and propagation modes are included. In particular, this study demonstrated for the first time that while combustion recession is mainly auto-ignition dominated (consistent with the literature), a cool flame was found to deflagrate towards the richer regions of the mixture, promoting mixing and increasing the mixture temperature. This leads to HTI kernels, which then grow and develop as deflagrative waves, therefore sustaining the combustion recession process. The study also detailed the extinction mechanism of combustion: the entrainment wave will overlean the near-nozzle mixtures, rendering it unable to support HTI, which leads to the extinction of the upstream flame AEOI in lower reactivity mixtures. Combustion recession is also observed to be contingent on the chemical and diffusion processes, even at low scalar dissipation rates. Finally, a new criterion for combustion recession based on chemical explosive mode is proposed and validated with previous combustion recession index to quantify the extent of HTI in near-nozzle mixtures AEOI. The newly developed metric combined with a previous experimentally-based metric can provide simple but valuable measurements of the degree and propensity of the upstream flame AEOI.

CEMA↗
DOE OSTI2021

Synthesis of Butyl-Exchanged Polyoxymethylene Ethers as Renewable Diesel Blendstocks with Improved Fuel Properties

Methyl-terminated polyoxymethylene ethers (MM-POMEs), having the formula CH3O–(CH2O)n–CH3 (n = 3–5), are a high-cetane, low-sooting group of oxygenates that have recently attracted attention as potential diesel blendstocks. Despite these attractive fuel properties, MM-POMEs have shortcomings due to their low energy density and high water solubility. Guided by a computational fuel property assessment for POMEs with longer end-groups, the most promising improvements in the desired compression ignition fuel properties were observed for butyl-terminated POMEs. Here, an acid-catalyzed transacetalization reaction was developed to exchange the methyl end-groups of MM-POMEs (n = 3–6) with butyl end-groups. The reaction utilizes an ion-exchange resin as the acid catalyst at mild reaction conditions of 60 °C and atmospheric pressure. Approximately 100 mL of butyl-exchanged POMEs in the diesel boiling range were produced, enabling laboratory-scale fuel property testing. The butyl-terminated POME mixture possesses the advantaged fuel properties of the parent MM-POMEs (low-soot, high-cetane) while exhibiting improved energy density (lower heating value (LHV) of 30 MJ/kg) and substantially reduced water solubility (7.3 g/L) compared to the parent MM-POME mixture (LHV of 19 MJ/kg , water solubility of 258 g/L).

09 BIOMASS FUELS↗