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At least 577 records · Page 32

Effective CH4/N2 Separation using NU-1000 at High Pressures

Separation of methane (CH4) from other gases is of significant importance to reducing greenhouse gas emissions. In particular, the development and discovery of efficient adsorbents under pressure swing adsorption (PSA) conditions is a focus many research papers. We evaluated the potential of CH4/N2 separation performance using four adsorbents, including zirconium-based metal organic frameworks (NU-1000, UiO-66, and UiO-67) and a conventional adsorbent, zeolite-13X. Among them, NU-1000 presented high CH4/N2 selectivity (2.8) at 15 bar through ideal adsorbed solution theory because it has micro- and mesopores coupled with the large surface area, and a polar hydroxyl group along the pore surface. NU-1000 has a large CH4 working capacity (4.79) under PSA processes. These results demonstrated that NU-1000 is a sufficiently competitive adsorbent in PSA processes for CH4/N2 separation.

MOFs, NU-1000, separation↗

Energy and Exergy Analysis of Low-Global Warming Potential Refrigerants as Replacement for R410A in Two-Speed Heat Pumps for Cold Climates

Heat pumps (HPs) are being developed with a new emphasis on cold climates. To lower the environmental impact of greenhouse gas (GHG) emissions, alternate low global warming potential (GWP) refrigerants must also replace the exclusive use of the refrigerant R410A, preferably without re-engineering the mechanical hardware. In this paper, we analyze the performance of four low-GWP alternative refrigerants (R32, R452B, R454B, and R466A) relative to the conventional R410A and draw conclusions on the relative performances for providing heating in cold climates based on the Air-Conditioning, Heating, and Refrigeration Institute (AHRI) 210/240 standard for two-speed heat pumps. The simulations are carried using the Department of Energy, Oak Ridge National Laboratory (DOE/ORNL) Heat Pump Design Model (HPDM), a well-known heating, ventilation, and air conditioning (HVAC) modeling and design tool in the public domain and the HVAC research and development community. The results of the simulation are further scrutinized using exergy analysis to identify sources of systemic inefficiency, the root cause of lost work. This rigorous approach provides an exhaustive analysis of alternate low-GWP refrigerants to replace R410A using available compressors and system components, without compromising performance.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Dynamic thermal behavior of polycrystalline LaB 6 hollow cathodes

Lanthanum hexaboride (LaB6) hollow cathodes have demonstrated a capability for long life operation, which is critical to many space exploration missions. Thermal characterization of LaB6 hollow cathodes has revealed lower than expected electron emitter temperatures when the cathode reaches a steady state. This phenomenon is observed at discharge currents ranging from 5 to 35 A and xenon mass flow rates of 5–25 SCCM in cathodes with three different orifice diameters. Thus, the currently accepted value of the work function for polycrystalline LaB 6 , 2.67 eV, does not describe well the emission characteristics of LaB6 hollow cathodes operating with internal gas discharges at a steady state. We use empirically measured temperatures combined with a model of the hollow cathode emitter and xenon discharge to estimate the value of the work function, yielding a value ranging from 2.1 to 2.44 eV. This lower work function value implies that LaB6 hollow cathodes are expected to have even longer lifetimes than previously anticipated, further establishing them as a more suited alternative to other conventional cathode technologies for the task of long duration travel. Direct measurements of the work function as a function of depth on a hollow cathode emitter using x-ray photoelectron spectroscopy and ion beam milling indicate that the work function decreases with depth. We postulate several mechanisms that could explain the observed work function enhancement. Altogether, our results have important implications to the design, study approach, and operation of LaB 6 cathodes and potentially other cathodes with hollow configuration. Finally, our work opens the question of why the work function is reduced upon interaction with Xe plasma.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Oxygenated Fuel Blending Effects in a Mixing-Controlled Compression-Ignition Engine Equipped with Ducted Fuel Injection [Slides]

Continued creation of harmful emissions such as NO x and soot from compression-ignition engines utilizing mixing-controlled combustion systems (i.e., diesel engines) remains a problem and is the subject of on-going research. The inherently high efficiency, relatively low cost, and numerous other desirable attributes of such engines, coupled with a widely supported infrastructure, motivates their continued advancement. Recently, a scientifically distinct and mechanically simple technology called ducted fuel injection (DFI) has shown a robust ability to allow such engines to operate with simultaneously low engine-out soot and NO x emissions when it is employed with simulated exhaust-gas recirculation. To better understand the property ranges of sustainable, oxygenated-fuel blending stocks that will most improve engine performance, two oxygenated blendstocks were separately blended with a commercial diesel base fuel and tested within a heavy-duty diesel optical engine equipped with a four-duct DFI configuration. Conventional and crank-angle-resolved optical diagnostics were used to elucidate the effects of fuel ignition quality, oxygenate molecular structure, and overall oxygen content on engine performance.

33 ADVANCED PROPULSION SYSTEMS↗

Annual report for DOE VTO

Carbon fiber (CF)/polymer composites are a transformative class of high-performance, lightweight material, where high aspect-ratio CFs reinforce a polymer matrix and exceed the strength of steel alloys at a fraction of the density. Despite the advantages of such a class of material, the broader implementation of CF composites in a range of automotive, aerospace, and energy applications is hindered by limitations of current manufacturing methods. These current techniques (e.g., hand lay-up, wet filament winding) are costly and impose severe limitations on fiber placement, orientation, and angle, and thus a composite’s ultimate properties. Today’s CF composites are expensive to manufacture, limited in form factor, and utilize costly and sub-optimal continuous filament CF. Advanced additive manufacturing (AM) processes, combined with computational design optimization and new approaches to resin development, offer alternative design and manufacturing paradigms that have the realistic potential to lift these constraints. Such integrated AM approaches could thus help to realize the full potential of CF composite materials. One relevant application of CF composite materials where manufacturing constraints limit the cost-benefit ratio is in the manufacture of high-performance composite pressure vessels for onboard compressed natural gas (CNG) storage. Current CNG storage vessels (Types 3–5) are made from load-bearing filament-wound carbon-fiber composite and are ~3.5 times as expensive as an all-metallic Type-1 vessel. This cost is invariably tied to the complex and labor-intensive nature of conventional filament winding processes and the large volumes of expensive high tensile-strength CF tow feedstock required in manufacture. Our proposed approach to CNG storage vessel manufacture is based on a combination of AM technologies for CF composite printing and design optimization tools that were pioneered at Lawrence Livermore National Laboratory (LLNL), with advances in resin/composite formulation enabled by chemical and nano-material modification. Through the successful development of this technology, LLNL seeks to demonstrate the capability for advanced CNG storage vessel manufacture at reduced cost with no reduction in performance versus the most advanced, extant Type-5 designs.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Update on ASME AG-1 and Revision of the DOE Nuclear Air Cleaning Handbook - 20536

The American Society of Mechanical Engineers AG-1 Code on Nuclear Air and Gas Treatment is updated every two years. This paper provides an overview of issues being discussed within AG-1 committee meetings and revisions that will be included in the next version of the code. Additional information is provided on issues being discussed ranging from media velocity limits, control of airflow using actual versus and standard cubic feet per minute. Navigation and identification of applicable high-efficiency particulate air (HEPA) filter code sections can be confusing for those unfamiliar with AG-1. A general reorganization of filtration code sections clarifies geometry, flow, and performance envelopes for nuclear grade HEPA filters. The initial step consists of establishment of Section FN covering qualification of conventional, ceramic, metal, and high strength fibrous glass media. Future filter sections are currently expected to be characterized by geometry and flow direction (axial vs. radial). The Department of Energy's (DOE) Nuclear Air Cleaning Handbook (NACH) is also undergoing revision. An update on the status of that effort, along with issues and changes being considered. The original charter of the AG-1 Code was specific to commercial nuclear power plants, and to safety-related air cleaning systems. This has evolved over the years to include normal non-safety ventilation systems and process gas systems. Corollary guidance for DOE facilities has been available in several editions of the Nuclear Air Cleaning Handbook, starting with ORNL-NSIC 65. The latest edition of the Handbook, 2003, is undergoing revision and modifications. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Highly dense atomic Fe–Ni dual metal sites for efficient CO 2 to CO electrolyzers at industrial current densities

Carbon-supported, atomically dispersed, nitrogen-coordinated metal sites (e.g., Fe and Ni) are arguably the most promising catalysts for the electrochemical reduction of CO 2 to CO due to their unique catalytic properties and the use of earth-abundant elements. However, conventional single metal sites are constrained by their structural simplicity, causing either too weak or too strong absorption/desorption of multiple critical intermediates (e.g., *COOH and *CO). Current catalysts also suffer from ultra-low loadings (<1.0 wt%) of atomic metal active sites in catalysts, leading to inadequate performance for CO 2 -to-CO conversion. Here, we develop dual Ni/Fe metal site catalysts with significantly increased atomically dispersed metal loadings (up to 4.8 wt%). A gas-phase chemical vapor deposition (CVD) approach to introducing single Ni sites was integrated with Fe 2 O 3 /ZIF-8 precursors, followed by an optimal thermal activation. The optimized CVD-Ni/Fe–N–C catalyst exhibited remarkable electrocatalytic performance for the CO 2 reduction to CO in a continuous membrane-electrode-assembly electrolyzer, achieving a maximum CO faradaic efficiency (FE CO ) of 96% at a current density of 700 mA cm −2 in a near-neutral electrolyte. Furthermore, a desirable but challenging acidic flow-cell electrolyzer was designed using this dual metal site catalyst to improve CO 2 utilization, accomplishing a FE CO of up to 95% at a CO partial current density close to 600 mA cm −2 . Density functional theory (DFT) calculations suggest a synergetic effect between Fe–Ni pairs facilitating *COOH intermediate formation and *CO desorption simultaneously during CO 2 to CO conversion. This is key to breaking the linear scaling relationship of conventional single-metal site catalysts during the CO 2 reduction reaction.

36 MATERIALS SCIENCE↗

No–till establishment improves the climate benefit of bioenergy crops on marginal grasslands

Expanding biofuel production is expected to accelerate the conversion of unmanaged marginal lands to meet biomass feedstock needs. Greenhouse gas production during conversion jeopardizes the ensuing climate benefits, but most research to date has focused only on conversion to annual crops and only following tillage. Here we report the global warming impact of converting USDA Conservation Reserve Program (CRP) grasslands to three types of bioenergy crops using no–till (NT) vs. conventional tillage (CT). We established replicated NT and CT plots in three CRP fields planted to continuous corn, switchgrass, or restored prairie. For the 2 yr following an initial soybean year in all fields, we found that, on average, NT conversion reduced nitrous oxide (N 2 O) emissions by 50% and CO 2 emissions by 20% compared with CT conversion. Differences were higher in Year 1 than in Year 2 in the continuous corn field, and in the two perennial systems the differences disappeared after Year 1. In all fields net CO 2 emissions (as measured by eddy covariance) were positive for the first 2 yr following CT establishment, but following NT establishment net CO 2 emissions were close to zero or negative, indicating net C sequestration. Overall, NT improved the global warming impact of biofuel crop establishment following CRP conversion by over 20–fold compared with CT (–6.01 Mg CO 2 e ha –1 yr –1 for NT vs. –0.25 Mg CO 2 e ha –1 yr –1 for CT, on average). We also found that Intergovernmental Panel on Climate Change estimates of N 2 O emissions (as measured by static chambers) greatly underestimated actual emissions for converted fields regardless of tillage. Policies should encourage adoption of NT for converting marginal grasslands to perennial bioenergy crops to reduce C debt and maximize climate benefits.

54 ENVIRONMENTAL SCIENCES↗

Chapter 9: Impact of Variable Renewable Energy Sources on Bulk Power System Planning and Operations

Wind and solar photovoltaics (PV) have experienced remarkable growth in recent years, with many consequent benefits within and outside of power systems. At the same time, wind and solar PV have unique characteristics relative to the historically dominant dispatchable technologies like coal, gas, and nuclear power plants that have required and will continue to require changes in power system planning and operations. This chapter discusses planning and operational challenges of integrating wind and solar PV into bulk power systems. We first present the key characteristics of wind and solar PV that differentiate it from conventional technologies, such as variable and uncertain electricity generation, asynchronous interconnection to the power system, and near-zero marginal costs. We then link these characteristics to power system planning and operational challenges at low through high wind and solar penetrations. Finally, we discuss near- and long-term solutions to those challenges, such as diversifying the generation mix and wind and solar fleets, improving system flexibility, diversifying ancillary service products, and integrating generation and transmission planning.

bulk power system↗

Data from: No‐till establishment improves the climate benefit of bioenergy crops on marginal grasslands

Expanding biofuel production is expected to accelerate the conversion of unmanaged marginal lands to meet biomass feedstock needs. Greenhouse gas production during conversion jeopardizes ensuing climate benefits, but most research to date has focused only on conversion to annual crops and only following tillage. Here we report the global warming impact of converting USDA Conservation Reserve Program (CRP) grasslands to three types of bioenergy crops using no-till (NT) versus conventional tillage (CT). In three CRP fields planted to continuous corn, switchgrass, or restored prairie we established replicated NT and CT plots. For the two years following an initial soybean year in all fields, we found that, on average, NT conversion reduced nitrous oxide (N2O) emissions by 50% and carbon dioxide (CO2) emissions by 20% compared to CT conversion. Differences were higher in year 1 than in year 2 in the continuous corn field, and in the two perennial systems the differences disappeared after year 1. In all fields net CO2 emissions (as measured by eddy covariance) were positive for the first two years following CT establishment, but following NT establishment net CO2 emissions were close to zero or negative, indicating net C sequestration. Overall, NT improved the global warming impact of biofuel crop establishment following CRP conversion by over 20-fold compared to CT (-6.01 Mg CO2e ha-1 yr-1 for NT vs. -0.25 Mg CO2e ha-1 yr-1 for CT, on average). We also found that IPCC estimates of N2O emissions (as measured by static chambers) greatly underestimated actual emissions for converted fields regardless of tillage. Policies should encourage adoption of NT for converting marginal grasslands to perennial bioenergy crops in order to reduce carbon debt and maximize climate benefits.

09 BIOMASS FUELS↗

Large eddy simulation of a pressurized reactive fluid–particle system: single-particle dynamics analysis

Pressurized oxy-combustion (POC) is a promising candidate to reduce carbon emissions in power generation. Designing an effective burner plays a vital role in developing new combustion technologies. Because of the high pressure, the volume fraction of particles in a pressurized oxy-combustor could be higher than that in the conventional combustor, therefore, the particle dynamics in the pressurized vessel need to be evaluated accordingly. The present computational work is to predict the influence of the particle size and particle injection location on the particle trajectory. The Stokes number based on turbulence fluctuation, St, is adopted to evaluate the impact of the gas phase on the particulate phase. A large eddy simulation (LES) with the environment pressure of 15 bar and the thermal input of the fuel particle of 100 kWth has been performed by means of the commercial CFD package. It is shown that that in this pressurized environment St << 1 for the 25 µm particles, St ~ 1 for the 100 µm particles, while for the particles exceeding 200 µm St >> 1. The trajectories of the sampling particles from the LES results support this conclusion: the particles less than 100 µm tend to be uniformly distributed in the space while the particles exceeding 200 µm tend to concentrate in the combustor.

Li, Lei↗

Potential Adoption and Benefits of Co-Optimized Multimode Engines and Fuels for U.S. Light-Duty Vehicles

Exploring a diverse portfolio of technologies for decarbonization is crucial to understanding the potential impacts of different technological solutions and their associated environmental implications. Using high-octane, high-sensitivity biofuel blends in co-optimized multimode engines can increase engine efficiency and reduce vehicle emissions. Here, the multimode engine research focuses on the benefits of light-duty vehicle engines, which can operate in multiple modes depending on the vehicle's load. Low-temperature combustion can improve efficiency and reduce emissions (such as those from oxides of nitrogen and particulate matter) during low-load operation, while spark ignition performance is maintained in high-load operation. These advanced engines can be optimized to run on blends of biobased fuels. This analysis models scenarios for potential market adoption of co-optimized multimode vehicles fueled by three different bioblendstocks: ethanol, isopropanol, and isobutanol. An integrated modeling approach is used to forecast the energy and environmental impacts of the deployment of co-optimized multimode vehicles and fuels in the light-duty sector over the 2020-to-2050 time horizon. The multidisciplinary approach combines vehicle sales modeling, system dynamics modeling of the biorefining industry, and life cycle assessment to estimate the emissions and energy benefits. The models consider market forces such as consumer preferences for vehicle attributes, biofuel supply and demand dynamics subject to biorefinery capacity build-out and bioresource constraints, and forecasted changes to the U.S. bulk energy system over time. Market adoption of co-optimized vehicles is evaluated across a wide parameter space for incremental vehicle cost and engine efficiency improvement. This analysis reveals that the deployment of co-optimized multimode fuels and vehicles results in up to a 5% reduction in annual sector-wide life cycle greenhouse gas (GHG) emissions by 2050, relative to a business-as-usual scenario, but is also indicates environmental trade-offs, such as higher life cycle water-use. Emission benefits could potentially increase beyond 2050, as the new technologies penetrate the market and gain a foothold. Results also show that, under certain circumstances, vehicles with engines co-optimized for use with high-octane, high-sensitivity biofuel blends can be cost-competitive with conventional gasoline, while reducing GHG emissions. Our modeling results indicate that co-optimized multimode fuels and engines can be strategically leveraged in tandem with electrification to decarbonize the light-duty sector. Co-optimized vehicles could play a role in the early years of the time horizon, while electric vehicles (EVs) could become more competitive in the later years, highlighting the complementary benefits of these technologies for GHG reductions.

Oke, Doris↗

On the contribution of Pair Distribution Function (PDF) to the characterization of nanocrystalline MOFs: The case of M-MOF-74

Nanoporous Metal-Organic Frameworks (MOFs) have a great potential in so many industrial applications including heterogeneous catalysis and gas storage/capture/separation. MOF-74 is one of the most interesting MOFs in an academic context, as it contains open metal sites, possesses high versatility in metal nature, and can be prepared with so small crystal size. As a consequence, the catalytic activity of these nanocrystalline materials is superior to that given by their conventional counterparts. However, their characterization by conventional X-ray diffraction (XRD) is insufficient. Here, we present a joint study of XRD and Pair Distribution Function (PDF) -both acquired under synchrotron radiation- of a series of nanocrystalline M-MOF-74 materials (M = Mg, Co, Ni, Cu or Zn) prepared at room temperature. Whereas the XRD continues being lacking for an adequate structural characterization, PDF provides key structural information at medium and short range and, therefore, is ideal for studying such nano-domains. It was confirmed that these materials are exclusively composed by MOF-74 phase and that their poor ability to diffract is due solely to their eminent nanocrystallinity, which resulted to be even more pronounced than it has been previously estimated. Beyond Scherrer-like approaches, PDF can give direct information about the range of crystal size in nanocrystalline materials. Moreover, the technique is also able to detect slight structural deviations in short-range environments, just like it is made clear in the case of Cu-MOF-74 compared with the rest of M-MOF-74 materials, which possesses a marked Jahn-Teller effect in the octahedral coordination of Cu.

36 MATERIALS SCIENCE↗

Generative Physics-Informed Neural Network Solving Multi-Scale and Multi-Phase Plasma Chemical Flow Field

Low-temperature plasmas (LTPs) are non-equilibrium systems with near-room-temperature gas and highly energetic electrons. This makes them ideal for delicate applications in biomedicine and semiconductor manufacturing, enabling processes like wound healing, sterilization, etching, and plasma-enhanced chemical vapor deposition without thermal damage. However, LTPs involve complex chemistries, with hundreds of species and thousands of reactions, complicating their diagnosis, prediction, and control. Conventional diagnostics, such as Fourier-transform infrared spectroscopy (FTIR), laser-induced fluorescence (LIF), and optical emission spectroscopy (OES), offer limited species detection, while mass spectrometry (MS) struggles with low-sensitivity species. Additionally, LTP simulations face multi-scale challenges, as macroscopic fluid dynamics and microscopic particle collisions operate on vastly different timescales. To address these issues, we developed an artificial intelligence (AI) based diagnostic system: a generative physics-informed neural network (PINN-Gen) that can predict spatially resolved species concentrations and temperatures in LTPs by integrating experimental data from planar LIF with microscopic plasma chemical kinetics and macroscopic fluid mechanics, including plasma-liquid interactions at the interface between two phases. PINN-Gen solves no equations but checks the errors of physical laws by substituting the output from neural network, and the comparison with the experimental results. Thus, it naturally avoids the multi-scale difficulty of numerical simulations and predicts the results of conventionally unsolvable multi-scale and multi-phase problems. The real-time prediction will be robust due to the physical information used in the training of such a neural network, and only very limited input of condition required due to its generative feature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Power-Hardware-in-the-Loop Experiments of a Microgrid with a Grid-Forming Battery Inverter

Microgrids continue to proliferate, and they are transitioning away from using conventional generating resources to increasingly relying on inverter-based resources (IBRs) as the voltage and frequency leaders. It is crucial to evaluate the capability of IBRs to provide microgrid stability and resilience. Hardware-in-the-loop (HIL) experiments were conducted to de-risk the field deployment of the San Diego Gas & Electric Company Borrego Springs Microgrid, where a battery inverter was upgraded with grid-forming (GFM) capability to serve as the island leader. This paper presents the HIL experimental results from an HIL test bed that uses a power-hardware-in-the-loop (PHIL) interface with a power inductor that was previously developed for PHIL simulations of microgrids where the inverters need to switch modes, i.e., between grid-following and GFM as the microgrid transitions between grid-connected and islanded operation. This paper presents more details on the interface and HIL simulation results of the planned islanding and load steps in islanded operation to show the effectiveness of the inverters in managing the voltage and frequency.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Power-Hardware-in-the-Loop Experiments of a Microgrid With a Grid-Forming Battery Inverter: Preprint

Microgrids continue to proliferate, and they are transitioning away from using conventional generating resources to increasingly relying on inverter-based resources (IBRs) as the voltage and frequency leaders. It is crucial to evaluate the capability of IBRs to provide microgrid stability and resilience. Hardware-in-the-loop (HIL) experiments were conducted to de-risk the field deployment of the San Diego Gas & Electric Company Borrego Springs Microgrid, where a battery inverter was upgraded with grid-forming (GFM) capability to serve as the island leader. This paper presents the HIL experimental results from an HIL test bed that uses a power-hardware-in-the-loop (PHIL) interface with a power inductor that was previously developed for PHIL simulations of microgrids where the inverters need to switch modes, i.e., between grid-following and GFM as the microgrid transitions between grid-connected and islanded operation. This paper presents more details on the interface and HIL simulation results of the planned islanding and load steps in islanded operation to show the effectiveness of the inverters in managing the voltage and frequency.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Evaluation of Microreactor Inhalation Dose Consequences

The new generation of microreactors are intended to provide useful, very reliable and safe safe energy for a variety of applications such as supplying to remote locations. Microreactors range from less than 1 MW th to more than 20 MW th . A range of technologies is being considered, including variations in neutron energy spectrum (fast or thermal), variations in primary and secondary coolant choices (e.g. metal cooled, gas cooled, and unique power cycle reactors. The reactors tend to use new fuel forms and types with unique benefits such as metal or TRISO fuel for higher fuel density and safety, respectively. The notional image of a microreactor is a reactor that fits in a seavan or intermodal shipping container. This would allow conventional shipping options, including aircraft, and match other mobile power sources. A development of a capability to test these reactors is needed, whether in a facility or in an open area. INL is in the process of determining acceptable test areas for these various reactors and an understanding of potential bounding consequences is important in informing siting and required infrastructure capability decisions. This ECAR considers the bounding release fractions of these types of reactors at 20 MW th and documents the dose consequences to the public and collocated worker. This is a scoping analysis for the generalized type of reactor, and the analysis will be refined based on the specific reactor design.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗