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At least 649 records · Page 36

Advanced Mineral Extraction and Water Processing: Application Development of Mesofluidic Separation Technology

This project explored the development of mesofluidic devices and methods to provide a range of new capabilities with a focus on selective mineral extraction and cost-effective water treatment systems. Mineral separation and water treatment technologies are typically slow, bulky, expensive, time and energy intensive processes. This leads to very large, expensive processing plants that are often inefficient and produce low quality products and large volumes of waste. Technologies used in mineral extraction and water treatment have changed little in the last 50-100 years. The new technology, based upon mesofluidic separation devices, could disruptively change the state of the art and alter long established economics. The new technologies explored will provide systems with much smaller footprints, higher throughput, modular components easily integrated into existing industrial processes and plants, lower cost, and novel separation capabilities. The results from this effort contributed to a wide range of new capabilities and numerous inventions disclosures.

42 ENGINEERING↗

Choosing the Right Tool: A Comparative Study of Wetland Assessment Approaches

There are over 700 aquatic ecological assessment approaches across the globe that meet specific institutional goals. However, in many cases, multiple assessment tools are designed to meet the same management need, resulting in a confusing array of overlapping options. Here, we look at six riverine wetland assessments currently in use in Montana, USA, and ask which tool (1) best captures the condition across a disturbance gradient and (2) has the most utility to meet the regulatory or management needs. We used descriptive statistics to compare wetland assessments (n = 18) across a disturbance gradient determined by a landscape development intensity. Factor analysis showed that many of the tools had internal metrics that did not correspond well with overall results, hindering the tool’s ability to act as designed. We surveyed regional wetland managers (n = 56) to determine the extent of their use of each of the six tools and how well they trusted the information the assessment tool provided. We found that the Montana Wetland Assessment Methodology best measured the range of disturbance and had the highest utility to meet Clean Water Act (CWA§ 404) needs. Montana Department of Environmental Quality was best for the CWA§ 303(d) & 305(b) needs. The US Natural Resources Conservation Service’s Riparian Assessment Tool was the third most used by managers but was the tool that had the least ability to distinguish across a disturbance, followed by the US Bureau of Land Management’s Proper Functioning Condition.

54 ENVIRONMENTAL SCIENCES↗

Quantifying the hydration structure of sodium and potassium ions: taking additional steps on Jacob's Ladder

The ability to reproduce the experimental structure of water around the sodium and potassium ions is a key test of the quality of interaction potentials due to the central importance of these ions in a wide range of important phenomena. In this study, we simulate the Na + and K + ions in bulk water using three density functional theory functionals: (1) the generalized gradient approximation (GGA) based dispersion corrected revised Perdew, Burke, and Ernzerhof functional (revPBE-D3) (2) the recently developed strongly constrained and appropriately normed (SCAN) functional (3) the random phase approximation (RPA) functional for potassium. We compare with experimental X-ray diffraction (XRD) and X-ray absorption fine structure (EXAFS) measurements to demonstrate that SCAN accurately reproduces key structural details of the hydration structure around the sodium and potassium cations, whereas revPBE-D3 fails to do so. However, we show that SCAN provides a worse description of pure water in comparison with revPBE-D3. RPA also shows an improvement for K + , but slow convergence prevents rigorous comparison. Finally, we analyse cluster energetics to show SCAN and RPA have smaller fluctuations of the mean error of ion–water cluster binding energies compared with revPBE-D3.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Lead Service Line Inventory at the Materials and Fuels Complex

In 1986, Congress amended the Safe Drinking Water Act prohibiting the use of lead in pipes for providing water. This was due to research on lead poisoning showing lead was extremely detrimental to the development of kids and cognitive abilities in adults. Now, because of the amendment of 1986, the EPA 2021 Lead and Copper Rule Revision came out since then to promote progress in the inventory and elimination of lead pipes. The Idaho Department of Environmental Quality(IDEQ) adopted this rule for the state which means every water system in Idaho fall under the new regulation. By October 16, 2024, the INL must report to the IDEQ, the pipe materials in a Lead Service Line Inventory(LSLI) in hopes of finding lead. If lead is found, a Lead Service Line Replacement Plan is required. This poster only specifically talks about the results for the largest site out on the desert, Materials and Fuels Complex(MFC), as the INL also consists of ATR, INTEC, SMC, and CFA.

54 ENVIRONMENTAL SCIENCES↗

The EGS Collab Project – Stimulations at Two Depths

The EGS Collab project, supported by the US Department of Energy, is performing intensively monitored rock stimulation and flow tests at the 10-m scale in an underground research laboratory to address challenges in implementing enhanced geothermal systems (EGS). Data and observations from the field tests are compared to simulations to understand processes and build confidence in numerical modeling of the processes. We have completed Experiment 1 (of 3), which examined hydraulic fracturing in a well-characterized underground fractured phyllite test bed at a depth of approximately 1.5 km at the Sanford Underground Research Facility (SURF) in Lead, South Dakota. Testbed characterization included fracture mapping, borehole acoustic and optical televiewers, full waveform sonic, conductivity, resistivity, temperature, campaign p- and s-wave investigations and electrical resistance tomography. Borehole geophysical techniques including passive seismic, continuous active source seismic monitoring, electrical resistance tomography, fiber-based distributed strain, distributed temperature, and distributed acoustic monitoring, were used to carefully monitor stimulation events and flow tests. More than a dozen stimulations and nearly one year of flow tests were performed. Quality data and detailed observations were collected and analyzed during stimulation and water flow tests using ambient temperature and chilled water. We achieved adaptive control of the tests using real-time monitoring and rapid dissemination of data and near-real-time simulation. More detailed numerical simulation was performed to answer key experimental design questions, forecast fracture propagation trajectories and extents, and analyze and evaluate results. Data are freely available from the Geothermal Data Repository. Experiment 2 examines the potential for hydraulic shearing in amphibolite at a depth of about 1.25 km at SURF. This site has a different set of stress and fracture conditions than Experiment 1. The Experiment 2 testbed consists of nine subhorizontal boreholes configured in two fans of two boreholes which surround the testbed and contain grouted-in electrical resistance tomography, seismic sensors, active seismic sources and distributed fiber sensors. A “five-spot” set of test wells that extends from a custom mined alcove includes an injection well and four production/monitoring wells. The testbed was characterized geophysically and hydrologically, and three stimulations have been performed using the Step-Rate Injection Method for Fracture In-Situ Properties (SIMFIP) tool to measure strains, and a new strain quantifying tool (downhole robotic strain analysis tool -DORSA) was deployed in a monitoring hole during stimulation. Real-time data were broadcast during stimulations to allow real-time response to arising issues.

EGS Collab, Enhanced Geothermal Systems, EGS, fiel↗

Foam Fracturing Study for Stimulation Development of Enhanced Geothermal Systems

The large thermal gradients and high subsurface temperatures of the western region of the U.S. hold great potential for the implementation of enhanced geothermal systems (EGS). The development of these potential EGS resources requires stimulation of the reservoir to enhance permeability and it has been widely reported that a substantial amount of water will be required should conventional hydraulic stimulation be used. This presents a huge challenge and a high risk to the geothermal development because the water stress1 in these areas is already high or extremely high. The use of foam, a gas/liquid mixture predominantly composed of gas, in fracturing is considered and explored in this project as a potential approach to address water concerns with hydraulic stimulation in the development of EGS. This project, led by Oak Ridge National Laboratory (ORNL) in collaboration with Temple University, was awarded in an open lab call in 2018, and was part of the DOE GTO waterless stimulation initiative. The goal of the project was to demonstrate the feasibility of foam fracturing for EGS development through two primary tasks: Task 1: Laboratory study of the effectiveness of foam fracturing for representative geological materials, including cyclic pressurization using foam (led by ORNL) and Task 2: High temperature foam material selection and characterization (led by Temple University). In FY19, ORNL finished the critical review on serval issues associated with foam fracturing and the implementation of the proposed tasks in a lab study (Wang, et al., 2019), and completed the foam fracturing testing using cement as a model material (Wang, et al, 2020a). The work at ORNL was geared up to develop a brand-new foam testing system in FY20. The purchase of main components for the new system was finished in the first half of the FY20. The assembly of the foam testing system and foam fracturing testing were completed in the second half of the FY20 (Wang, et al., 2021a). Task 1 required the development of a test system which can be used to perform hydraulic fracturing of geological specimens with both water and foamed liquids at pressure up to 6,000 psi (41.4 MPa). The system possesses several capabilities that conventional injection systems lack for hydraulic fracturing. In addition to its ability to generate foam with controlled quality, it is capable of cycling pressure levels between specified values up to frequencies of 50 Hz. The latter capability was developed to evaluate the hypothesis that cyclic loading of samples would produce enhanced fracturing. The system consists of two sections: one for foam generation and another for foam injection. The foam is generated through separate control and pressurization of liquid and gas phases with controlled flow rates. The injection section is equipped with a low-flow Coriolis flow that monitors the density of foam to ensure the injection is in the range of target foam quality2. Experimental results of foam fracturing are reported for cylindrical granite specimens using water and aqueous N2 foam as the fracturing fluids. All experiments were performed for unconfined conditions. The effects of injection mode (i.e., monotonic vs cyclic pressurization) on breakdown pressure and failure response sample were investigated using water alone as a fracturing fluid and foams with a range of compositions. It was found that in the case of monotonic injection, the breakdown pressure of granite specimens tended to be slightly higher when fracturing with foam. Additionally, with a foam quality of 90%, the water use can be reduced by 50 to 84%, depending on hole size. On the other hand, it was observed that the breakdown pressure can be brought down to 70% of the monotonic breakdown pressure by using low cycle fatigue. Finally, discussions are presented regarding injectivity and water use reduction.

15 GEOTHERMAL ENERGY↗

U.S. Manufacturing Water Use Data and Estimates: Current State, Limitations, and Future Needs for Supporting Manufacturing Research and Development

Water is essential to manufacturing operations; without it, many facilities could not operate or meet production demands. Physical, reputational, and regulatory risks to water supplies compounded by climate change-induced impacts on hydrological conditions threaten the adequacy of water supplies for manufacturing. Manufacturing water use has not been a major focus of either water or manufacturing-related research. Research and development (R&D) aimed at helping manufacturers use water more sustainably and adapt to changing water conditions is needed to ensure a thriving sector and economy. However, the ability to identify R&D needs is severely limited due to a lack of current, statistically representative data on manufacturing water use and its environmental implications. In this Perspective, we outline four key questions to inform R&D on manufacturing use and highlight how the current state of water data in the United States does not support the adequate investigation of these questions. We make recommendations for the water data characteristics needed to explore the research questions and knowledgeably inform R&D on manufacturing water use.

McCall, James↗

Influence of Agricultural Managed Aquifer Recharge (AgMAR) and Stratigraphic Heterogeneities on Nitrate Reduction in the Deep Subsurface

Agricultural managed aquifer recharge (AgMAR) is a strategy whereby surface water is used to intentionally flood croplands to recharge underlying aquifers. However, nitrate (NO 3 - ) contamination in agriculturally intensive regions poses a threat to groundwater resources under AgMAR. We use a reactive transport model to understand the effects of AgMAR management strategies (i.e., by varying the frequency, duration between flooding events, and amount of water) on NO 3 - leaching to groundwater under different stratigraphic configurations and antecedent moisture conditions. We examine the potential of denitrification and nitrogen retention in deep vadose zone sediments (~15 m) using variable AgMAR application rates on two-dimensional representations of differently textured soils, soils with discontinuous bands/channels, and with preferential flow paths characteristic of agricultural fields. Simulations indicate finer textured sediments, alone or embedded within/adjacent to high flow regions, are important reducing zones providing conditions needed for denitrification. Simulation results suggest that applying water all-at-once rather than in increments transports higher concentrations of NO 3 - deeper into the profile, which may exacerbate groundwater quality. This transport into deeper depths can be aggravated by wetter antecedent soil moisture conditions. However, applying water all-at-once also increases denitrification within the vadose zone by promoting anoxic conditions. We conclude that AgMAR can be designed to enhance denitrification in the subsurface and reduce NO 3 - leaching to groundwater, while specifically accounting for lithologic heterogeneity, antecedent soil moisture conditions, and depth to the water table. Our findings are potentially relevant to other systems that experience flooding inundation such as floodplains and dedicated recharge basins.

54 ENVIRONMENTAL SCIENCES↗

Aging of Limestones and Silane–Siloxane-Based Protective Hydrophobics: The Impact of Heating–Cooling and Freeze–Thaw Cycles

Stones are traditionally used in construction and architectural applications as building elements due to their aesthetic and technical/structural performance. Like other environmental factors (rain, humidity, moisture, salt presence, biological activity, etc.), heating–cooling and freeze–thaw cycles significantly threaten the longevity of stone materials. Hence, considering the socio-economic and cultural value of stones, preventive actions such as hydrophobic coatings are applied to prevent or mitigate damage. The scope of this study is the performance assessment of limestones with different characteristics and the efficiency of various commercial silane/siloxane-based hydrophobic coatings when exposed to thermal variation and freeze–thaw. For that purpose, the standards EN 14066:2013 (determination of resistance to aging by thermal shock) and EN 12371:2010 (determination of frost resistance) were followed. Open porosity and static contact angles were estimated to assess the stone durability and water protection capabilities of the hydrophobics. Additionally, sound speed propagation velocity, quality of building material index, elastic modulus and flexural strength were measured to evaluate the variation of mechanical properties. Static contact angle revealed that the coatings maintained an efficient level of hydrophobicity even after thermal-shock and freeze–thaw weathering tests. The study also revealed a critical interaction between freeze–thaw cycles, hydrophobic coatings and structural integrity of the stones, mostly on more porous ones. When they are subjected to harsh environmental conditions, untreated porous limestones keep structural cohesion, allowing for the natural absorption and release of water during freezing and thawing. On the contrary, when limestones are treated, the hydrophobic coatings can moderately obstruct the water release due to the partial saturation of the porous framework by the products. It also probably resulted from the different mechanical behavior between the inner matrix and layer of stone coated, resulting in a premature breakout and mechanical damage of the stone.

Lisci, Carla (ORCID:000000032179130X)↗

Theoretical model of dielectrophoretic water vapor condensation during multiphase flow of electrically charged water droplets in air

Water droplet growth in air, influenced by vapor diffusion and electrical charging, has significant implications for indoor air quality, cloud formation, and aerosol dynamics. Here, this study presents a comprehensive theoretical model that describes the growth dynamics of electrically charged water droplets under external electric fields, incorporating diffusion, electrostatic, and dielectrophoretic forces to enhance understanding and practical applications in air dehumidification and environmental control. A theoretical model was established to analyze the growth dynamics of the charged water droplets. The approach extended the thermodynamic framework of the Modified Kelvin-Thomson equation by integrating electrostatic and dielectrophoretic effects, enabling a comprehensive evaluation of vapor concentration near the surface of charged droplets. A sensitivity analysis was performed to assess the roles of droplet size, electric field intensity, surface charge, and vapor concentration on condensation rates. The study progressed beyond the classical diffusion-limited growth of neutral droplets, addressing the behavior of charged droplets in electrohydrodynamic environments. The model highlighted the significance of dielectrophoretic drift flux for dipolar vapor molecules, especially in micron-sized droplets ranging from 10 to 100 µm. Findings demonstrated that, for smaller droplets subjected to elevated electrical charge, average growth rates varied from 0.3 to 1.6 µm/s if the air relative humidity increased from 50 to 100 %. Analytical results are corroborated by numerical simulations, which exhibited strong concordance, thereby validating the proposed theoretical approach. This research introduced an innovative and scalable analytical methodology for electric field-enhanced droplet growth, offering valuable insights into the advancement of energy-efficient air dehumidification, water desalination, and atmospheric water harvesting technologies.

42 ENGINEERING↗

Study of Different Formulations for the Multiperiod Blending Problem Applied to Lithium Recovery from Produced Water

We present several formulations to solve the MPBP for the recovery of REE/CMs from produced water and propose a decomposition approach thatleverages strategies in general disjunctive programming to enhance its performance. We compare these proposed formulations/strategies via two illustrative case studies on recovering lithium from a network of produced water sources.

Ovalle, Daniel↗

Structural determination of a full-length plant cellulose synthase informed by experimental and in silico methods

Three-dimensional structure determination and prediction of proteins with intrinsically disordered regions, unstructured regions, conformational flexibility, and lacking homologous structures are challenging. We previously predicted and refined an in silico structure of a plant cellulose synthase from cotton (GhCESA1), and more recently, cryo-electron microscopy (cryo-EM) has resolved a majority of the lengths of two CESA structures from poplar (PttCESA8) and cotton (GhCESA7). However, 26–30% of these cryo-EM structures remain unresolved, including the N-terminal domain, half of the class-specific region, the gating loop region, and the C-terminal domain. Here, we describe the generation and evaluation of a full-length hybrid GhCESA1 model based on this cryo-EM PttCESA8 structure, with unresolved regions completed using this in silico refined GhCESA1 model. All-atom molecular dynamics simulations and subsequent energy minimizations were performed for the in silico and hybrid GhCESA1 models in a lipid bilayer-water-ion environment, and structural stability, dynamics, energetics, contacts, and quality were evaluated. The unresolved regions were found to be the most dynamic, in agreement with their poor electron density with cryo-EM. The hybrid model exhibited a higher total secondary structure content, more favorable intra-protein and protein-lipid interaction energies, and improved quality metrics. Moreover, hydrogen bonding was revealed to be a primary mechanism for intra-protein and protein-lipid contacts. These results demonstrate that in silico structure prediction and refinement may be useful to augment experimental structure determination, especially for disordered and unstructured regions. Furthermore, this hybrid model can serve as a steppingstone to derive full-length homology models of other CESAs found in more experimentally tractable organisms.

59 BASIC BIOLOGICAL SCIENCES↗

Operator inference with roll outs for learning reduced models from scarce and low-quality data

Data-driven modeling has become a key building block in computational science and engineering. However, data that are available in science and engineering are typically scarce, often polluted with noise and affected by measurement errors and other perturbations, which makes learning the dynamics of systems challenging. Here, in this work, we propose to combine data-driven modeling via operator inference with the dynamic training via roll outs of neural ordinary differential equations. Operator inference with roll outs inherits interpretability, scalability, and structure preservation of traditional operator inference while leveraging the dynamic training via roll outs over multiple time steps to increase stability and robustness for learning from low-quality and noisy data. Numerical experiments with data describing shallow water waves and surface quasi-geostrophic dynamics demonstrate that operator inference with roll outs provides predictive models from training trajectories even if data are sampled sparsely in time and polluted with noise of up to 10%.

97 MATHEMATICS AND COMPUTING↗

Simulated Aquifer Heterogeneity Leads to Enhanced Attenuation and Multiple Retention Processes of Zinc

Alluvial aquifers serve as one of the main water sources for domestic, agricultural, and industrial purposes globally. Groundwater quality, however, can be threatened by naturally occurring and anthropogenic metal contaminants. Differing hydrologic and biogeochemical conditions between predominantly coarse-grained aquifer sediments and embedded layers or lenses of fine-grained materials lead to variation in metal behavior. Here, we examine processes controlling Zn partitioning within a dual-pore domain-reconstructed alluvial aquifer. Natural coarse aquifer sediments from the Wind River-Little Wind River floodplain near Riverton, WY, were used in columns with or without fine-grained lenses to examine biogeochemical controls on Zn concentrations, retention mechanisms, and transport. Furthermore, following the introduction of Zn to the groundwater source, Zn preferentially accumulated in the fine-grained lenses, despite their small volumetric contributions. While the clay fraction dominated Zn retention in the sandy aquifer, the lenses supported additional reaction pathways of retention—the reducing conditions within the lenses resulted in ZnS precipitation, overriding the contribution of organic matter. Zinc concentration in the groundwater controlled the formation of Zn-clays and Zn-layered double hydroxides, whereas the extent of sulfide production controlled precipitation of ZnS. Our findings illustrate how both spatial and compositional heterogeneities govern the extent and mechanisms of Zn retention in intricate groundwater systems, with implications for plume behavior and groundwater quality.

54 ENVIRONMENTAL SCIENCES↗

Mechanisms of Organic Matter Export in Estuaries with Contrasting Carbon Sources

Modifications in land-use and climate will result in shifts in the magnitude and quality of organic matter (OM) transported from wetlands to coastal waters, but differentiation between riverine and wetland OM sources in coastal areas remains a challenge. Here, we evaluate particulate and dissolved OM export dynamics in two representative estuary types—Apalachicola Bay (AP) and Barataria Bay (BB), characterized by primarily blackwater river inputs and high particle abundance, respectively. The magnitude and composition of OM exported from each estuary was evaluated based on seasonal measurements of surface water dissolved organic carbon (DOC), particulate organic carbon (POC), particulate nitrogen (PN), the stable isotopic composition of DOC and POC (d13C-DOC and d13C-POC, respectively), dissolved and particulate lignin phenols, and carbon-normalized dissolved lignin-phenol yields. Discriminant analyses indicated that BB is a more particle-rich and wetland-carbon dominated system compared to AP, which is due to a lack of direct river inputs and high prevalence of wetlands carbon sources (living vs. eroded/submerged). The primary parameters explaining the predominance of particulate and wetland carbon sources in BB were total suspended sediment concentrations, d13C-DOC, d13C-POC, the ratio of cinnamyl to vanillyl phenols in DOC, and the ratio of syringyl to vanillyl phenols for both POC and DOC. In contrast, AP was separated by DOC, particulate C:N ratios, and the ratio of acid to aldehyde lignin phenols for both POC and DOC, indicating a more terrestrial source of organic matter and reflecting the importance of fluvial DOM inputs in this system. Total lignin export (sum of dissolved and particulate) was higher in BB (5.73×105 kg yr-1) than in AP (4.21×105 kg yr-1). Particulate lignin export from BB was greater than the export of dissolved lignin at either BB or AP, suggesting coastal marsh erosion may be driving this comparatively large export of particulate lignin.

aquatic↗

The UCAR Africa Initiative: Recent insights, challenges, and opportunities to foster collaborative research for environmental sustainability

Africa is increasingly being exposed to the negative impacts of climate and environmental change, while having less capacity to respond compared to other continents. The vulnerability partially results from unprecedented demographic growth, urbanization, and industrialization. However, the continent has still largely been underserved by the broader Earth System Science (ESS) community, as evidenced by the limited amount of ESS data and research that cover Africa compared to other areas of the world. Here we present the recent University Corporation for Atmospheric Research (UCAR) Africa Initiative that aims to enhance environmental sustainability in Africa by fostering international collaborative research partnerships co-led by African scientists. Specifically, we outline urgent challenges and opportunities identified through an international workshop in six areas of ESS namely (1) air quality and health, (2) weather, (3) climate, (4) land and water, (5) social science perspectives, and (6) developing equitable collaboration and sustainable infrastructure. We highlight examples of successful partnerships and conclude with recommendations to advance collaborative, actionable ESS research that addresses Africa’s critical environmental challenges.

African weather and land variability↗

Flow Forecasting on New England’s Great River Hydro (CRADA 549) (Final Report)

Great River Hydro (GRH) is New England's largest conventional hydropower generator and operates sustainable hydropower systems in Vermont, New Hampshire, and Massachusetts. Several of GRH’s hydropower projects on the Connecticut River are largely constrained to operate as run-of-river; however, though a new FERC license they have opportunity in the form of flex hours where they are allowed to deviate operations to capture favorable market conditions or emergency operations. To maximize value from these new operations, GRH is considering new sources of forecasted inflow. Pacific Northwest National Laboratory (PNNL) is evaluating the quality of two commercial inflow forecasts for GRH under DOE Water Power Technology Office’s Notice of Opportunity for Technical Assistance: Improving Hydropower’s Value through Informed Decision Making. This project will provide an unbiased evaluation of the accuracy of inflow forecasts available through commercial vendors. GRH will use this information to support their decision on which inflow forecast to use under their new FERC license and to assess the overall value of the available inflow forecasting tools and practices. In this talk we will discuss details of the near real-time forecast evaluation process, the metrics involved in the evaluation, and some preliminary results. In addition, we’ll touch on the second phase of the project which involves evaluating scheduling strategies that identify windows of opportunity to change operations in ways that increase profit through participation in day ahead and real time markets.

13 HYDRO ENERGY↗