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At least 1,063 records · Page 59

Understanding Multi-Ion Transport Mechanisms in Bipolar Membranes

Bipolar membranes (BPMs) have the potential to become critical components in electrochemical devices for a variety of electrolysis and electrosynthesis applications. Because they can operate under large pH gradients, BPMs enable favorable environments for electrocatalysis at the individual electrodes. Critical to the implementation of BPMs in these devices is understanding the kinetics of water dissociation that occurs within the BPM as well as the co- and counter-ion crossover through the BPM, which both present significant obstacles to developing efficient and stable BPM-electrolyzers. In this study, a continuum model of multi-ion transport in a BPM is developed and fit to experimental data. Specifically, concentration profiles are determined for all ionic species, and the importance of a water-dissociation catalyst is demonstrated. The model describes internal concentration polarization and co- and counter-ion crossover in BPMs, determining the mode of transport for ions within the BPM and revealing the significance of salt-ion crossover when operated with pH gradients relevant to electrolysis and electrosynthesis. Lastly, a sensitivity analysis reveals that the performance and lifetime of BPMs can be improved substantially by using of thinner dissociation catalysts, managing water transport, modulating the thickness of the individual layers in the BPM to control salt-ion crossover, and increasing the ion-exchange capacity of the ion-exchange layers in order to amplify the water-dissociation kinetics at the interface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

BioSTEAMDevelopmentGroup/Bioindustrial-Park/TAL

Triacetic acid lactone (TAL) can be microbially produced and further chemically upgraded to several high-value chemicals. In this work, several acidic and basic ion-exchange resins and activated charcoal were evaluated for their ability to adsorb microbially produced TAL. Activated charcoal and a weak base resin, Dowex 66, showed similar TAL adsorption capacity of 0.18 ± 0.002 g/g. At 15% w/v activated charcoal, about 98% of TAL present in fermentation broth could be adsorbed. Further, ethanol washing allowed recovery of 72% of adsorbed TAL. A biorefinery producing TAL from sucrose was designed, simulated, and evaluated (through technoeconomic analysis) under uncertainty, for an estimated TAL minimum product selling price (MPSP) of $4.27/kg [$3.71−4.94/kg; 5th-95th percentiles] for the current state of technology and $2.83/kg [$2.46–3.29/kg] following potential near-term improvements to fermentation. Thus, this work provides an adsorptive process to recover microbially produced TAL that can be chemically upgraded to several industrial products.

Cortes-Peña, Yoel↗

Securing Critical Materials for the U.S. Electric Vehicle Industry: A Landscape Assessment of Domestic and International Supply Chains for Five Key Battery Materials

This study explores the prospective supply of upstream critical materials, providing insights into the U.S.'s capacity to meet its Electric Vehicle (EV) and Energy Storage System (ESS) deployment targets for 2035. It evaluates the proportion of critical materials demand that can be met by domestic upstream sources and the amount that will require non-U.S. sources. The analysis considers geological resources and current international development activities, contributing to the understanding of mineral supply security as the global community strives for net-zero emissions by 2050. The study focuses on five materials assessed in the 2023 DOE Critical Materials Assessment – Lithium, Nickel, Cobalt, Graphite, and Manganese.

33 ADVANCED PROPULSION SYSTEMS↗

Lithium-Ion Battery Design for Grid-Scale Energy Storage App

A software that delivers parameters from energy storage system (ESS) to container, rack, module and single cell design, as well as data analysis on arbitrage energy and frequency regulation of ESS in different regions, has been developed. The Lithium-ion Battery Design for Grid-scale Energy Storage App V1.0 has the capability to output the system, module and cell design with the energy, power, capacity, group method, cost of single cell, and single cell test protocol which break down from input energy storage system data in different regions. The default chemistry of the battery is LiFePO4 and graphite. The energy density of the graphite/LiFePO 4 pouch cell ranges from 100 Wh/kg to 200 Wh/Kg in the software. Graphite/LiFePO 4 pouch cell (up to 1Ah in lab) manufacturing line is also built and can be used to evaluate the test protocol, moreover, for electrolyte evaluation in other ESMI seedling projects. The software enables rapid prototyping to accelerate energy storage research, development, and manufacturing.

Liu, Dianying↗

The Field Epidemiology Training Program’s Contribution to Essential Public Health Functions in Seven National Public Health Institutes

Objective: This study explores how Field Epidemiology Training Programs (FETP) whose National Public Health Institutes (NPHI) are supported by U.S. Centers for Disease Control and Prevention (CDC) have contributed to strengthening essential public health functions. Methods: We conducted 96 semi-structured interviews with public health experts including NPHI staff, non-NPHI government staff, and staff from non-governmental and international organizations in Cambodia, Colombia, Liberia, Mozambique, Nigeria, Rwanda, and Zambia. We managed data using MAXQDA and employed direct content analysis to derive themes. Results: Three overarching themes emerged in relation to FETPs’ role within the NPHIs’ public health functions. These themes included contribution to improving country surveillance systems, role in providing leadership in outbreak responses, and strengthening countries’ and the NPHIs’ surveillance workforce capacity. Participants also shared challenges around FETPs’ implementation and suggestions for improvement. Conclusion: The results demonstrate the value of FETPs in strengthening public health systems through building workforce capacity and improving surveillance systems. By identifying the successes of FETPs in contributing to essential public health functions, our findings might inform current and future FETP implementation and its integration into NPHIs.

60 APPLIED LIFE SCIENCES↗

Understanding Economic and Deployment Benefits of Wind-PV Hybrid Power Plants

The least-cost approach to decarbonizing the U.S. electricity supply will likely involve a significantly expanded share of variable renewable energy (VRE) generation. Many strategies and approaches have been identified to address integration challenges in a VRE-dominated system, including standalone and coupled battery systems. In this study, we explored the current and future potential of utility-scale hybrid energy systems comprising PV, wind, and lithium-ion battery technologies (PV-wind-battery systems). Analysis results include temporal complementarity of wind and PV resources across the contiguous United States, with an emphasis on metrics that quantify reductions in variability that can be achieved through hybridization. We further use a price-taker model with simulated hourly energy and capacity prices to determine the revenue-maximizing dispatch of a range of PV-wind-battery configurations across Texas, from the present through 2050. We find that coupling PV, wind, and battery technologies allows for more effective utilization of interconnection capacity by increasing capacity factors to 60-80%+ and capacity credits to close to 100%, depending on battery capacity. We also compared the energy and capacity values of PV-wind and PV-wind-battery systems to the corresponding stability coefficient metric, which describes the location-and configuration-specific complementarity of PV and wind resources. Our results show that the stability coefficient effectively predicts the configuration-location combinations in which a smaller battery component can provide comparable economic performance in a PV-wind-battery system (compared to a PV-battery system). These PV-wind-battery hybrids can help integrate more VRE by providing smoother, more predictable generation and greater flexibility. Finally, capacity expansion modeling of PV-wind systems indicates that hybridization can reduce transmission expansion requirements associated with a heavily decarbonized U.S. electricity system.

complementarity↗

Airport Delay Prediction with Temporal Fusion Transformers

Since flight delay hurts passengers, airlines, and airports, its prediction becomes crucial for the decision-making of all stakeholders in the aviation industry and thus has been attempted by various previous research. However, previous delay predictions are often categorical and at a highly aggregated level. To improve that, this study proposes to apply the novel Temporal Fusion Transformer model and predict numerical airport arrival delays at quarter hour level for U.S. top 30 airports. Inputs to our model include airport demand and capacity forecasts, historic airport operation efficiency information, airport wind and visibility conditions, as well as en-route weather and traffic conditions. The results show that our model achieves satisfactory performance measured by small prediction errors on the test set. In addition, the interpretability analysis of the model outputs identifies the important input factors for delay prediction.

Liu, Ke [University of California Berkeley]↗

Concentrating Rare Earth Elements in Coal mine drainage Using Coal Combustion Products through Abandoned Mine Land Reclamation

Rare earth elements (REEs) (including scandium, yttrium and a group of 15 lanthanides) are often considered to be critical components in the productions of renewable energy hardware, electric vehicles, health care and military equipment, and consumer electronic products. The demand of REEs has been projected to be growing at an annual rate of 5-9% in the next 25 years. In 2011, the global demand of total rare earth oxides (REOs) was estimated to be approximately 105,000 tons, which is expected to grow to 210,000 tons by 2025. China overwhelmingly dominates the current worldwide rare earth productions but has strategically restricted its exports, causing significant instability for the global market. In response to the increasing demand for REEs and the supply dominance of China, identifying alternative sources of REEs has become a critical issue for the United States and other countries. Coal, coal ash, and coal mine drainage (CMD) are considered to be the alternative sources of REEs. In the U.S., high REE concentrations have been reported to be closely associated with coal deposits, including the Appalachian Basins. When surface and/or groundwater come in contact with geologic strata containing sulfide minerals exposed by coal mining, the accelerated oxidation of sulfide minerals in the presence of ferric iron and/or oxygen can produce sulfuric acid. The process promotes the weathering of REE-bearing rocks and minerals in the host geologic strata. Compared to average river water and seawater, the concentrations of REEs can be orders of magnitude higher in CMD. In this study, we demonstrated a trap-extract-precipitate (TEP) process that can effectively recover REEs from CMD. The three-stage TEP process uses alkaline industrial by-products to capture REEs from CMD and then applies an extraction/precipitation procedure to produce a feedstock that can be economically processed to produce marketable rare earth oxides. The alkaline industrial by-products tested in this study include the residual from a water softening process (DRWP sludge) and two types of stabilized flue gas desulfurization materials (sFGDs). sFGD material is a mixture of lime (CaO) and two coal combustion by-products, calcium sulfite FGD by-product and fly ash. The objectives of this study are to (1) validate the effectiveness and feasibility; (2) determine mechanisms controlling the rare earth recovery, (3) quantify the associated economic and environmental benefits, and (4) evaluate the full-scale application. To achieve these objectives, tasks to be carried out in this proposed project are organized into three phases. In the first phase, the research team collaborated with Ohio Department of Natural Resources, American Electric Power, The Wilds (a nonprofit wildlife conservation organization), and a private landowner to carry out field investigations aimed to screen and evaluate the seasonal changes of rare earths in the CMD discharges that have high recovery potentials. Next, the recovery of REEs from CMD was tested using a series of lab-scale column and batch tests under, respectively, percolation and completely mixed conditions. Results obtained from these lab-scale studies show that all three tested solids are very effective in retaining REEs. Over 98% of the CMD REEs that contacted the solids were captured before the solids exhausted their neutralization capacities. We also determined an extraction process using a non-acid, organic ligand extraction solution that can effectively remobilize the retained REEs from the spent solids (over 90%). The REE concentrate (>7.5 wt. % of total REEs) is then formed in an aeration process. The TEP process uses environmentally benign industrial by-products and a naturally-occurring organic ligand to mitigate CMD and recover REEs. Techno-economic analysis (TEA) and life-cycle assessment (LCA) was carried out in the third phase. The engineering-economic costs and net energy, net CO2 emissions, and water and other requirements were investigated to understand the economic and environmental implications of this process. This work uses mass and energy balances from laboratory-scale experiments to estimate the economic costs and environmental impacts. The results suggest that passive treatment systems that use DRWP sludge are preferred over those that use sFGD material, because of lower economic costs ($89,300/yr with a unit cost of $86/gT-REE vs. $89,800/yr, or $278/gT-REE) and improved environmental performance across all indicators from two different impact assessment methods. These differences are largely attributable to the larger capacity of DRWP sludge in the passive treatment application. We envision this TEP process can be integrated with abandoned mine land (AML) reclamation to create an approach that can add economic incentives for AML reclamation, remediate CMD discharge, and eliminate public safety hazards and threats to local environment and ecological systems posed by AMLs. It can restore lands and communities that are adversely impacted by legacy mining.

01 COAL, LIGNITE, AND PEAT↗

Cost-Benefit Assessment of Additive Manufacturing for Injection Molds

This report presents an additive-manufacturing (AM) technology, where AM Cyclic Olefin Resin (COR) molds would be used for injection molding. The National Laboratory of the Rockies (NLR) team has focused on the costs and economics of this developing technology. This report presents a cost-benefit analysis of using the polySpectra AM COR molds made of COR, at the start of the project (Present') and the potential lifetime, cost-effectiveness, and performance by the end of the project period (Period 3'). The analysis of the AM COR molds is compared to traditional Computer Numerical Control (CNC) machined aluminum molds across the time periods. A cost-benefit model framework has been developed to evaluate AM COR molds. This model accounts for mold delivery to customers, current and future levels of technology readiness, the type of material injected, and various business cases. AM COR molds offer a major advantage in lead time, reducing production setup from weeks or months (with CNC machining) to as little as two to five days. This enables faster prototyping, quicker design cycles, and accelerated time-to-market, critical in industries like electronics, aerospace, medical devices, and automotive. Even modest improvements in the durability of polySpectra AM COR molds show the potential for these molds to complement traditional tooling. With further development, AM COR mold technology could provide significant time and cost savings while supporting increased domestic manufacturing capacity.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Modeling and Analysis of Wind Turbine Wake Vortex Evolution Due to Time-Constant Spatial Variations in Atmospheric Flow

Modern utility-scale wind turbines are evolving toward larger, lighter, and more flexible designs to meet the growing demand for renewable energy while minimizing logistical costs. However, these advancements in lightweight design result in heightened aeroelastic sensitivity, leading to complex interactions which affect the rotor’s capacity to withstand aerodynamic loading and the cascading effects that manifest in the wake’s vortex-structure evolution under variable atmospheric conditions. In this paper, we analyze the influence of stream-wise fluctuating atmospheric flow conditions on wind turbines with large, flexible rotors through simulations of the National Rotor Testbed (NRT) turbine, located at Sandia National Labs’ Scaled Wind Farm Technology (SWiFT) facility in Lubbock, Texas. The Common Ordinary Differential Equation Framework (CODEF) modeling suite is used to simulate wind turbine aeroelastic oscillatory behavior and wind farm vortex–wake interactions for a range of conditions with spatially variant atmospheric flow. CODEF solutions for turbine operation in wind conditions featuring only one parameter fluctuation are compared to wind conditions with several wind parameter variations in combination. By isolating individual inflow variations and comparing them to multi-parameter scenarios, we determine the contributions of each atmospheric factor to rotor dynamics, wake evolution, and downstream wind farm interactions. The purpose of this paper is to analyze the effects of spatial variations in atmospheric flow on the topological evolution of wind turbine vortex wakes, which constitutes a gap in the current understanding of wind turbine wake dynamics. The insights gained from this study are particularly valuable for the development of wind farm control strategies aimed at mitigating the adverse effects of wake interactions, enhancing energy capture, and improving the overall stability of wind farm operations. With these insights, we aim to contribute to the development of modeling and simulation tools to optimize utility-scale wind power plants operating in diverse atmospheric environments.

Farrell, Alayna (ORCID:000000023555720X)↗

Mechanisms and Energetics of CO 2 Chemisorption in Choline-Based Eutectic Solvents

Understanding the influences of proton sharing and hydrogen transfer in amine and hydroxyl functionalized eutectic solvents is important for tuning CO 2 binding as they relate to the chemisorption capacity and energetics of solvent regeneration in carbon capture. In this study, we examine how the CO 2 binding mechanism and energetics vary in eutectic solvents composed of choline-based hydrogen-bond acceptors (HBAs) with amine and hydroxyl moieties and ethylene glycol (EG), propylene glycol (PG), 1,2-butanediol (BD), and monoethanolamine (MEA)-type hydrogen-bond donors (HBDs), through absorption–desorption experiments and spectral analysis, supported with density functional theory (DFT) calculations. While the HBD-CO 2 complex is the major and the thermodynamically more favored product of absorption in all of the examined eutectic solvents, this complexation is only possible proceeding a proton transfer from HBD to the HBA in diol-based systems (EG, PG, BD). The interplay between HBA-CO 2 and HBD-CO 2 speciation is governed by the HBD concentration, basicity, and steric effects, with increased HBD-CO 2 interactions in the presence of smaller HBDs (size: BD > PG > EG). On the other hand, in MEA-based systems, CO 2 readily binds to the amine followed by a proton transfer from the amine to the HBA as confirmed by DFT calculations. In this way, the MEA-CO 2 chemisorption capacities exceeded that of the conventional amine (up to 0.93 mol of CO 2 per mol of MEA versus 0.5). Furthermore, the increase in CO 2 capacities and enhanced binding in eutectics including MEA or the more basic HBAs also resulted in regeneration temperatures of 70 to 60 °C with calculated reaction energies of −82 to −57 kJ/mol, compared to 50 °C for others with weaker binding, following CO 2 absorption at 25 °C.

absorption↗

Understanding How Ligand Functionalization Influences CO2 and N2 Adsorption in a Sodalite Metal–Organic Framework

In this work, a detailed study is conducted to understand how ligand substitution influences the CO2 and N2 adsorption properties of two highly crystalline sodalite metal–organic frameworks (MOFs) known as Cu–BTT (BTT–3 = 1,3,5-benzenetristetrazolate) and Cu–BTTri (BTTri–3 = 1,3,5-benzenetristriazolate). The enthalpy of adsorption and observed adsorption capacities at a given pressure are significantly lower for Cu–BTTri compared to its tetrazole counterpart, Cu–BTT. In situ X-ray and neutron diffraction, which allow visualization of the CO2 and N2 binding sites on the internal surface of Cu–BTTri, provide insights into understanding the subtle differences. As expected, slightly elongated distances between the open Cu2+ sites and surface-bound CO2 in Cu–BTTri can be explained by the fact that the triazolate ligand is a better electron donor than the tetrazolate. The more pronounced Jahn–Teller effect in Cu–BTTri leads to weaker guest binding. The results of the aforementioned structural analysis were complemented by the prediction of the binding energies at each CO2 and N2 adsorption site by density functional theory calculations. In addition, variable temperature in situ diffraction measurements shed light on the fine structural changes of the framework and CO2 occupancies at different adsorption sites as a function of temperature. Finally, simulated breakthrough curves obtained for both sodalite MOFs demonstrate the materials’ potential performance in dry postcombustion CO2 capture. The simulation, which considers both framework uptake capacity and selectivity, predicts better separation performance for Cu–BTT. The information obtained in this work highlights how ligand substitution can influence adsorption properties and hence provides further insights into the material optimization for important separations.

adsorption capacities↗

Dinitrogen Binding and Functionalization from a Low-Coordinate Alkynyliron Complex

Alkynyl complexes of low-coordinate transition metals offer a sterically open environment and interesting bonding opportunities. Here, in this work, we explore the capacity of iron(I) alkynyl complexes to bind N 2 and isolate a N 2 complex including its X-ray crystal structure. Silylation of the N 2 complex gives an isolable, formally iron(IV) complex with a disilylhydrazido(2−) ligand, but natural bond orbital analysis indicates that an iron(II) formulation is preferable. The structure of this compound is similar to an earlier reported phenyl complex in which phenyl migration forms a new N–C bond, but the alkynyl group does not migrate. DFT calculations are used to test the possible reasons why the alkynyl is resistant to migration, and these show that the large Fe–C bond energy in the alkynyl complex is a factor that could contribute to the lack of migration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Spontaneous Strain Buffer Enables Superior Cycling Stability in Single-Crystal Nickel-Rich NCM Cathode

The capacity degredation in layered Ni-rich LiNixCoyMnzO2 (x >= 0.8) cathode largely originated from drastic surface reactions and intergranular cracks in polycrystalline particles. Herein, we report a highly stable single- crystal LiNi0.83Co0.12Mn0.05O2 cathode material, which can deliver a high specific capacity (similar to 209 mAh g(-1) at 0.1 C, 2.8-4.3 V) and meanwhile display excellent cycling stability (>96% retention for 100 cycles and >93% for 200 cycles). By a combination of in situ X-ray diffraction and in situ pair distribution function analysis, an intermediate monoclinic distortion and irregular H3 stack are revealed in the single crystals upon charging-discharging processes. These structural changes might be driven by unique Li-intercalation kinetics in single crystals, which enables an additional strain buffer to reduce the cracks and thereby ensure the high cycling stability.

in situ synchrotron characterization↗

Strong detection of the CMB lensing and galaxy weak lensing cross-correlation from ACT-DR4, Planck Legacy, and KiDS-1000

Here we measured the cross-correlation between galaxy weak lensing data from the Kilo Degree Survey (KiDS-1000, DR4) and cosmic microwave background (CMB) lensing data from the Atacama Cosmology Telescope (ACT, DR4) and the Planck Legacy survey. We used two samples of source galaxies, selected with photometric redshifts, (0.1 < z B < 1.2) and (1.2 < z B < 2), which produce a combined detection significance of the CMB lensing and weak galaxy lensing cross-spectrum of 7.7σ. With the lower redshift galaxy sample, for which the cross-correlation was detected at a significance of 5.3σ, we present joint cosmological constraints on the matter density parameter, Ω m , and the matter fluctuation amplitude parameter, σ 8 , marginalising over three nuisance parameters that model our uncertainty in the redshift and shear calibration as well as the intrinsic alignment of galaxies. We find our measurement to be consistent with the best-fitting flat ΛCDM cosmological models from both Planck and KiDS-1000. We demonstrate the capacity of CMB weak lensing cross-correlations to set constraints on either the redshift or shear calibration by analysing a previously unused high-redshift KiDS galaxy sample (1.2 < z B < 2), with the cross-correlation detected at a significance of 7σ. This analysis provides an independent assessment for the accuracy of redshift measurements in a regime that is challenging to calibrate directly owing to known incompleteness in spectroscopic surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

Integrating Spatial and Ethnographic Methods for Resilience Research: A Thick Mapping Approach for Hurricane Maria in Puerto Rico

Hurricane Maria left unprecedented impacts on Puerto Rican communities, leaving some without infrastructure services and unable to communicate with family for several months. Here, to understand the forms of community-level resilience that emerged while hard infrastructure systems took time recover, this article (1) abductively explores resilience as an emergent phenomenon of complex adaptive systems; (2) identifies subsequent forms of social capital, local adaptive capacities, and manifestations of quantifiable variables, such as infrastructure performance, in community experiences; and (3) demonstrates a framework to integrate disparate methodologies for resilience assessments via a multiplicity of mappings of space and place. We combine ethnographic and geospatial methods into an interactive GeoApp for analysis using participant-coded narratives and a series of geospatial indicators as a thick map. Thick mapping facilitates quantitative and qualitative data analysis at several scales, while enabling qualitative query of collected narratives. Results highlight local innovation, community bonding and bridging, and nuances in the role of public institutions as emergent elements of resilience. The thick map shows how top-down assessments can be augmented by thick data and how multiple framings can be anchored in the same system or place. These findings are important to inform and integrate community-oriented and technocentric solutions toward resilience-enhancing measures.

54 ENVIRONMENTAL SCIENCES↗

Dispatch Optimization Variable Engine

The Dispatch Optimization Variable Engine (DOVE) is software tool written in python, developed at Idaho National Laboratory (INL) that provides an easily accessible application-programming-interface (API) to performing resource dispatch optimization analysis for integrated energy system (IES) configurations. DOVE is an integral part of the Framework for Optimization of Resources and Economics (FORCE) software suite and is leveraged by codes such as the Holistic Energy Resource Optimization Network (HERON) and the Optimization of Real-Time Capacity Allocation (ORCA). The philosophy behind DOVE is to provide a modular software solution to IES planning and operation by utilizing state-of-the-art algorithms and machine learning. The goal is to accurately capture the dispatching behavior of a complex energy system given varying time-dependent signals for demand and commodity pricing.

McDowell, DylanJ. [Idaho National Laboratory (INL)↗

FC-PLACER (Fuel Cell Plant Layout and Cost Estimation Resource) [SWR-26-027]

The Fuel Cell Plant Layout and Cost Estimation Resource (FC-PLACER) is a tool to perform a footprint and cost analysis for hydrogen fuel cell based power plants. This analysis tool provides a comprehensive design and cost assessment for a 100-MW stationary PEM fuel cell power plant, utilizing specifications from commercially available PEM fuel cell modules originally designed for heavy-duty vehicle applications. Additionally, the tool offers flexibility, enabling adaptation to various capacity requirements or plant configurations and facilitating the evaluation of system layout and overnight costs. In particular, it includes a detailed accounting of balance of plant material and labor costs and enables a precise estimate of plant spatial footprint.

Reznicek, Evan [National Laboratory of the Rockies↗