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Optical activation and detection of charge transport between individual colour centres in diamond

Understanding the capture of charge carriers by colour centres in semiconductors is important for the development of novel forms of sensing and quantum information processing, but experiments typically involve ensemble measurements, often impacted by defect proximity. In this study, we show that confocal fluorescence microscopy and magnetic resonance can be used to induce and probe charge transport between individual nitrogen-vacancy centres in diamond at room temperature. In our experiments, a ‘source’ nitrogen vacancy undergoes optically driven cycles of ionization and recombination to produce a stream of photogenerated carriers, one of which is subsequently captured by a ‘target’ nitrogen vacancy several micrometres away. We use a spin-to-charge conversion scheme to encode the spin state of the source colour centre into the charge state of the target, which allows us to set an upper bound to carrier injection from other background defects. We attribute our observations to the action of unscreened Coulomb potentials producing giant carrier capture cross-sections, orders of magnitude greater than those measured in ensembles.

36 MATERIALS SCIENCE↗

Isotope exchange of ND 3 on Pt catalyst-loaded 13X molecular sieve

During D-T fusion operations the capture, purification, and recycling of unburned tritium will be crucial, as the formation of tritium containing molecules require additional processing. Here, removing the tritium can require costly processing to be unbound from the tritium-containing molecules and improvements to these processes will be necessary moving forward. Existing techniques using sorbent material beds to remove tritium-containing molecules from process gas streams undergo repeated high-heat cycling which leads to diminished bed lifespans, necessitating replacement and associated downtime. This work demonstrates the capture and isotopic exchange technique of deuterated ammonia (ND3), used as a surrogate for tritium, at ambient temperature using a Pt catalyst-loaded 13X molecular sieve. Unmodified 13X molecular sieve is capable of adsorbing and retaining the ND3 however, incorporation of a catalyst facilitates the isotopic exchange of the hydrogen isotopes. The effluent gas streams were analyzed in conjunction with desorbed ammonia isotopologues post-exchange to verify these results. Isotopically exchanging and removing heavier hydrogen isotopes using this technique provides an alternative to traditional removal methods.

08 HYDROGEN↗

Performance Criteria for Capture and/or Immobilization Technologies (Revision 1)

The capture and subsequent immobilization of regulated volatile radionuclides from the off-gas streams of a used nuclear fuel (UNF) reprocessing facility has been a topic of substantial research interest for the US Department of Energy and its international counterparts. Removal of specific radionuclides from the plant effluent streams before discharge to the environment is required to meet regulations set forth by the US Environmental Protection Agency. Upon removal, the radionuclides, as well as associated sorbents that cannot be regenerated in a cost-effective manner, are destined for conversion to a waste form. Research in separation and capture methodologies has included a wide range of technology types, and studies of waste forms are correspondingly diverse. In considering the future development and implementation of both sorbents and waste forms, it is necessary to identify benchmark measures of performance to objectively evaluate each sorbent system or waste form. Sets of performance criteria and associated metrics have been developed for sorbent and waste form evaluation. These criteria address physical, radiological, and chemical characteristics, technical practicality, technical maturity, cost, and, for sorbents, system performance. The criteria and metrics appear to be robust and should be applicable despite the eventual waste classification (as either high- or low-level waste). They are flexible enough to address both aqueous reprocessing and electrochemical reprocessing of UNF. These criteria sets can serve as tools to evaluate performance at multiple stages within the development process, and in this revision (Revision 1) they have been used to assess technologies relating to krypton/xenon separations and iodine capture from off-gas streams arising from UNF reprocessing. Assessment of krypton/xenon separations using engineered forms of two zeolite minerals (silver mordenite and hydrogen mordenite in a polyacrylonitrile-based binder [AgZ-PAN/HZ-PAN]) found that the zeolite-based separation is relatively advanced in its development, but several key issues require resolution. First, desorption processes for both krypton and xenon require refinement to provide an understanding of the product purity that can be achieved. Second, adsorption rate data is needed in order to calculate the bed depth required for effective separation. Finally, it is strongly recommended that a technical review of krypton/xenon separation by AgZ-PAN/HZ-PAN be performed to synergize available data and assess the cost savings and operational benefits that may be realized from implementation of this technology. Assessment of metal organic frameworks (MOFs) for their use in the separation of krypton/xenon found that the ideal separation would be performed using a single-column system with a MOF selective for krypton over xenon. A robust research effort should work to identify a krypton-selective MOF designed to operate at temperatures of approximately 0°C or higher, which could be preferred over cryogenic krypton/xenon capture for used fuel reprocessing off-gas streams. In the case of the CaSDB-MOF (the most well-understood xenon sorbent to date), two issues are judged of high importance. First, xenon breakthrough capacity for the CaSDB-MOF in prototypical conditions should be determined. Preliminary research indicates that breakthrough may be near immediate, presenting a substantial obstacle in separative system design. Second, development of desorption methodology should be performed to determine regeneration time, energy requirements, and the product stream composition. Silver-based sorbents (AgZ and AgAero) for use in iodine capture from the dissolver off-gas were evaluated against the established criteria. These sorbents are significantly better understood for this application as a result of research efforts over the past decade. The potential implementation of AgAero at a large scale is hindered by its physical degradation by components of the dissolver off-gas stream. Less is known about the adsorption of iodine by these sorbents from other off-gas streams in the plant. Initial experimental efforts have been closely coordinated in an effort to understand organic iodine (such as would be found in the vessel off-gas) adsorption by AgZ and AgAero. Future work should expand this experimental program, and analysis of other reprocessing facility off-gas streams such as the vitrification off-gas stream should be conducted to better understand other potential applications for iodine sorbents. A review of iodine waste form development shows that this area is diverse and that multiple promising waste forms have been identified for the immobilization of radioactive iodine. Efforts related to the direct conversion of iodine sorbents (including AgZ and AgAero) should be continued because of the advantages of direct conversion in a waste management strategy and other sorbents should continue to be advanced as merited.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Catalytic Effects of Silver in Iodine Reactors for Dissolved Used Nuclear Fuel

The dissolution of used nuclear fuel generates a variety of off-gasses including flammable hydrogen and other species that are a concern for environmental release. The H-Canyon facility at the Savannah River Site is currently dissolving aluminum-clad research reactor fuel from material test reactors and the High Flux Isotope Reactor (HFIR) using a mercury-catalyzed nitric acid flowsheet. Savannah River National Laboratory recently developed and deployed a Raman spectrometer to monitor the off-gas stream from the dissolution process. Results from these measurements indicated a lack of the expected hydrogen, nitrous oxide, and nitric oxide in the off-gas stream. It was proposed that the silver on the silver nitrate–coated berl saddles present in the reactors for iodine capture were acting as a catalytic hydrogen recombiner. Nitric oxide is readily oxidized to nitrogen dioxide under normal conditions, but it was unclear what happened to the nitrous oxide. A laboratory-scale iodine reactor was assembled and filled with silver nitrate–coated berl saddles to help ascertain the fate of nitrous oxide and hydrogen. Testing with this laboratory-scale reactor observed the recombination of hydrogen when a simulated dissolver off-gas was passed through the reactor containing silver nitrate–coated berl saddles at the approximate temperatures seen in H-Canyon. However, the nitrous oxide concentration was unchanged, suggesting a more complex process occurring within the off-gas stream before it reaches the iodine reactors at H-Canyon.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Self-interacting neutrinos, the Hubble parameter tension, and the cosmic microwave background

Here, we perform a comprehensive study of cosmological constraints on nonstandard neutrino self-interactions using cosmic microwave background and baryon acoustic oscillation data. We consider different scenarios for neutrino self-interactions distinguished by the fraction of neutrino states allowed to participate in self-interactions and how the relativistic energy density, N eff , is allowed to vary. Specifically, we study cases in which all neutrino states self-interact and N eff varies; two species free-stream, which we show alleviates tension with laboratory constraints, while the energy in the additional interacting states varies; and a variable fraction of neutrinos self-interact with either the total N eff fixed to the Standard Model value or allowed to vary. In no case do we find compelling evidence for new neutrino interactions or nonstandard values of N eff . In several cases, we find additional modes with neutrino decoupling occurring at lower redshifts z dec ~ 10 3–4 . We do a careful analysis to examine whether new neutrino self-interactions solve or alleviate the so-called H 0 tension and find that, when all Planck 2018 CMB temperature and polarization data are included, none of these examples eases the tension more than allowing a variable N eff comprised of free-streaming particles. Although we focus on neutrino interactions, these constraints are applicable to any light relic particle.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Warming and snow loss increase reliance on old groundwater in a Colorado River headwater

Atmospheric warming is reducing snowpack, with uncertain effects on mountainous streamflow, a crucial water resource. Despite limited historical observations of groundwater–streamflow interactions above 2,500 m, new measurements in the Upper Colorado River headwaters indicate declining groundwater storage that is dated decades to millennia old. Here we use integrated hydrologic modelling spanning water years 2015–2021 to determine whether the loss of old-age groundwater buffers streamflow during low-snow years and whether that loss is exacerbated with warming. Results show that old-groundwater contributions to streams remain relatively steady through time, unlike the more variable contributions from young groundwater. Numerical experiments of increased surface air temperatures (+2.5 °C and +4 °C) increase rain–snow fractions and evapotranspiration and decrease runoff ratio by 2–3% per degree Celsius increase. As streamflow declines with warming, the age of groundwater supporting it gets older, in part owing to intermediate-aged (1–3 year) groundwater declining twice as fast. Simulations show that water table depths at higher elevations (>3,700 m) decline disproportionately and fail to recover even during wet years. These findings suggest altered groundwater–streamflow interactions with warming and snow loss, with implications for water resources.

Siirila-Woodburn, Erica R. [Lawrence Berkeley Nati↗

Recovery of Enriched Mo-100 from Low Specific Activity Mo-99/Tc-99m Generator Waste Streams

This study assessed two potential techniques for the extraction of pure Mo-100 target material from Mo-99/Tc-99m waste streams: 1) an established solvent-extraction method tailored for Mo-99 spent solution recycling, and 2) a low-temperature molten salt electrochemical process. By making minor modifications to the conventional solvent extraction method, particularly to accommodate the altered solubility limits arising from elevated Na+ concentrations in the waste, we achieved quantitative Mo recoveries. Although the electrochemical technique offers advantages in scalability and processing simplicity, it proved ineffective in recovering Mo from a NaOH-KOH salt melt.

07 ISOTOPE AND RADIATION SOURCES↗

Mechanistic Modeling of TEG Dehydrator Emissions in Oil and Gas Industry

This work presents a mechanistic modeling approach for simulating methane emissions from triethylene glycol (TEG) dehydrators used in oil & gas (O&G) operations. The model was developed as a modular component of the Mechanistic Air Emissions Simulator (MAES) tool, incorporating species-specific absorption and emission dynamics through two-level, second-order polynomial regression (PR) models trained on ProMax simulation data: (1) species-level regression models that track the transfer rates of individual gas species within the dehydrator unit streams, and (2) outlet flow stream regression models that predict the fraction of inlet gas distributed among the outlet streams of the dehydrator unit. These behaviors were characterized over a range of glycol circulation ratios, wet gas pressures, and temperatures. The model was validated using root mean square error (RMSE) analysis. The species-level PR achieved low root mean square error (RMSE) values (<0.03) for light hydrocarbon species across all dehydrator components, ranging from 0.0009 for methane to 0.029 for normal pentane. Similarly, the outlet-level PR yielded RMSE values below 0.002 for the dry gas fraction, 0.001 for the flash tank fraction, and 0.002 for the still vent fraction, demonstrating strong agreement between predicted and reference ProMax values. When deployed at field facilities, the model significantly improved MAES-simulated dehydrator emissions, revealing that gas-assisted glycol pump emissions are the dominant contributors to both dehydrator-level and site-level methane emissions under uncontrolled conditions. Further analysis of the 154 dehydrator units reported by operators under the AMI 2024 project showed that 54 units (31%) used gas-driven glycol pumps, of which 6 units (11%) operated with uncontrolled flash tanks, and 22 units (40.7%) were identified as potentially oversized. Of the six dehydrator units with uncontrolled gas-assisted pumps, pump emissions accounted for 90.25% of total dehydrator emissions and 63.10% of total site-level emissions. These findings highlight substantial opportunities for emissions mitigation through equipment upgrades.

MAES↗

Development of Carbon Molecular Sieves Hollow Fiber Membranes based on Polybenzimidazole Doped with Polyprotic Acids with Superior H 2 /CO 2 Separation Properties (Final Report)

The goal of this project was to develop a highly efficient membrane-based process to capture CO 2 from coal-derived syngas with 95% CO 2 purity, achieving the cost of electricity (COE) 30% below the baseline capture approaches (i.e., Selexol process) when coupled with the advancement in other areas of the power generation facility. Our core approach is based on high-permeance hollow fiber membranes (HFMs) with superior H 2 /CO 2 separation properties at the syngas process conditions, which can then be further utilized to design membrane reactors for process intensification of H 2 production and purification and CO 2 capture. Three organizations with complementary skills collaborated to achieve the goal, including the University at Buffalo (UB), Los Alamos National Laboratory (LANL), and Trimeric Corporation (Trimeric). We formulated logical steps to bring the membrane technology from Technology Readiness Level (TRL) 3 (Experimental proof of concept) to TRL 4 (Laboratory scale validation in relevant environment). During the budget period (BP) 1, we screened various polymeric materials and identified polybenzimidazole doped with inorganic polyprotic acids as the desirable platform. The acid doping increases the H 2 /CO 2 selectivity, and the sequential carbonization increases H 2 permeability while retaining the high selectivity. By manipulating the acid type and doping level and the carbonization temperature, we demonstrated advanced carbon molecular sieving (CMS) materials with H 2 permeability of above 200 Barrer (1 Barrer = 10 -10 cm 3 (STP) cm cm -2 s -2 cmHg -1 ) and H 2 /CO 2 selectivity of above 40 at 200-300°C with simulated syngas containing CO and water vapor. For example, the PBI-(H 3 PO 4 ) 0.11 carbonized at 700 °C exhibits H 2 permeability of 200 Barrer and H 2 /CO 2 selectivity of 60 at 200 °C, and H 2 permeability of 240 Barrer and H 2 /CO 2 selectivity of 54 at 225 °C, which meets the targeted properties and surpasses Robeson’s upper bound. During the BP2, we focused on the conversion of the advanced CMS materials to stable HFMs. Membranes with H 2 permeance of 1,090 GPU (1 GPU = 10 -6 cm 3 (STP) cm -2 s -2 cmHg -1 ) and H 2 /CO 2 selectivity of 57 at 300 °C were successfully fabricated. The effects of temperature, gas compositions, pressure, and time on the separation properties were systematically investigated. Pencil modules were continuously evaluated for 219 h (dry pure gas) and 669 h (dry simulated syngas) and showed initial decline in permeance and increased H 2 /CO 2 selectivity over time, ultimately achieving a steady state stable value, indicating that the ageing phenomena in the nanoporous structures of the membranes during the test. Membrane reactors were fabricated based on the CMS membranes and evaluated for water-gas shift (WGS) reaction. The use of membranes slightly improves the conversion of the CO. However, parametric tests of the membrane reactors at various temperatures and flow rates need to be conducted, as well as the membranes with improved separation performance. We performed a sensitivity analysis on the impact of H 2 /CO 2 selectivity on the COE based on a hybrid process of a membrane unit and cryogenic unit developed by Membrane Technology and Research, Inc. (MTR). Three H 2 /CO 2 selectivity (40, 60, and 15) cases were developed and compared with the baseline capture process (Case B5B) provided by the DOE report. Increasing the membrane H 2 /CO 2 selectivity reduces COE, but the rate of the decrease of COE also diminishes. The COE values for H 2 /CO 2 selectivities of 40 and 60 were nearly the same. As the H 2 /CO 2 selectivity increases, the inert recycling decreases, leading to smaller equipment, less auxiliary power requirements, and less heating, cooling, and refrigeration duty. The refrigeration system used to liquefy the CO 2 is the most expensive piece of equipment and consumes the most electricity within the CO 2 capture process. Increasing the CO 2 concentration in the recycle stream would improve the economics of the process by reducing the refrigeration duty requirement of the unit and also allow for higher liquefaction temperatures. The high H 2 -selective membrane developed by our team may be applicable in other separation processes where lower pressure H 2 retains value. Typically, hydrogen retains its pressure when it is separated from syngas components. Residual components may be used as low-quality fuel and then vented to the atmosphere. Applications might include control of H 2 /CO ratios or mitigation of the water gas shift reaction by CO 2 recycling to the feed of a gasifier or steam methane reformer. To summarize, we have developed industrial HFMs with the best H 2 /CO 2 separation performance reported in the literature. The membranes demonstrate stability with simulated syngas and show great potential for membrane reactors for WGS reactions, lowering the cost of blue H 2 production.

20 FOSSIL-FUELED POWER PLANTS↗

Development of a 300 MWe Utility Scale Oxy-Fuel sCO2 Turbine

A 300 MWe direct-fired supercritical carbon dioxide (sCO2) oxy-fuel turbine is being developed that will burn natural gas-fired, coal syngas and even hydrogen mixtures capable of 1,150ºC turbine inlet temperature at 300 bar. This design will significantly improve the state-of-the-art for thermal efficiency and results in a high-pressure stream of CO2 with 98%+ carbon capture, making the power plant near emission-free and more efficient than Natural Gas Combined Cycle (NGCC) plants with carbon capture. This power plant will be capable of burning coal through gasification and cleanup of the synthesis gas (syngas). sCO2 power cycles are a transformational technology for the energy industry, providing higher efficiency heat source energy conversion for conventional and alternative energy sources. This novel cycle significantly reduces capital costs because of smaller equipment footprints, design modularity, and allows for rapid cyclic load and source following to balance solar and wind energy power swings. Oxy-fuel sCO2 cycles take these advantages even further, utilizing higher firing temperatures, improved efficiency, and simpler carbon capture strategies. This turbine will require cooled turbine nozzles and blades as well as advanced thermal management systems to accommodate these high temperatures. The cooled blade heat transfer correlations required new test programs at higher Reynolds number than air-breathing gas turbines for impingement, serpentine, and pin-fin regions. Novel blade optimization was performed to maximize aerodynamic efficiency, while minimizing cooling flows. A turbine layout was generated utilizing individual combustor cans with cooled liners feeding into a 6-stage axial flow turbine with cooled stator nozzles and turbine blades. The case design and thermal management preliminary design will be described.

Moore, Jeffrey↗

Impact of Control on Availability and Cycling of Residential HVAC in a Real-World Experiment

Demand response is an important emerging part of smart grids and there is a large stream of research from theoretical and modeling perspectives. However, there is relatively little experimental evidence that could help researchers and building operators make informed decisions on best practices for modeling, developing, and deployment of control mechanisms. We contribute to the body of experimental research by providing numerical insights into the role and availability of residential HVAC systems for control. We share the findings on the duration of the cooling cycle, off cycle, and temperature settling time of HVAC systems from data collected from a smart neighborhood located in Atlanta, GA.

cycling↗

A novel lung-inspired 3D-printed desiccant-coated heat exchanger for high-performance humidity management in buildings

Offering an independent humidity management method for buildings, desiccant-coated heat exchangers (DCHXs) are deemed a promising approach to improve the overall energy efficiency of air conditioning (AC) systems. State-of-the-art DCHXs, however, are bound with conventional HX topologies either providing limited desiccant-air interfacial areas or introducing excessive pressure drop penalties. In this paper a novel 3D-printed DCHX concept inspired by the bronchi arrangement of a human lung is introduced to address the shortcomings inherent in existing DCHX designs. The proposed lung-inspired DCHX utilizes two intertwined bicontinuous flow networks enabling highly efficient heat and mass transfer characteristics for augmented adsorption and regeneration processes at low pressure drop penalties. While the first network evenly distributes an incoming air stream through the entire volume of the lung-inspired DCHX, the second network volumetrically splits a cooling water stream within and through the first network. Effects of various parameters including air flow rate, outdoor air humidity ratio, and regeneration temperature on dehumidification performance and energy efficiency of the proposed lung-inspired DCHX were investigated. Experimental results indicated the proposed lung-inspired 3D-printed DCHX outperforms existing DCHX systems by demonstrating an excellent balance between a high volumetric adsorption rate and a low pressure drop penalty. The volumetric adsorption rate of the proposed lung-inspired DCHX technology is 54.8 g/m 3 -s, a more than two-fold improvement compared with state-of-the-art DCHX systems. Additionally, the lung-inspired DCHX offers high thermal energy efficiency of 56% at a low regeneration temperature of 40 °C. Therefore, the proposed lung-inspired 3D-printed DCHX offers a new solid-desiccant-based air dehumidification pathway for next-generation high-performance AC systems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

In Situ Catalytic Fast Pyrolysis using Red Mud Catalyst: Impact of catalytic fast pyrolysis temperature and biomass feedstocks

Catalytic fast pyrolysis (CFP) has been considered as a very promising approach for converting lignocellulosic biomass into higher-quality bio-oils followed by hydrotreating to produce fuelrange products. A reactive, robust, and low-cost catalyst is required to drive the CFP process. Red mud, a side-product produced during the refining of bauxite to alumina, appears to be an effective catalyst for in situ CFP of biomass. In this paper, we report the impact of CFP reaction temperature on the conversion of a pinyon juniper feedstock to bio-oils using red mud as the catalyst and then to fuel-range hydrocarbons by hydrotreating of the produced bio-oil. The yield and quality of the CFP bio-oil produced and the yield and quality of hydrotreated final products were determined. When the CFP process temperature was lowered from 450 to 400ºC, the bio-oil yield increased with minimal differences in the oxygen content, hydrogen-to-carbon ratio, water content, etc. In addition, CFP bio-oils at both temperatures were processed in a single-stage continuous hydrotreater without reactor plugging during the testing period (i.e., ~100 hours on stream). The yield of CFP bio-oil produced at 400ºC was lower than the yield at 450ºC. However, the overall yield, from biomass to hydrocarbon fuel, was still higher for CFP processing at 400ºC than for processing at 450ºC. This indicates the potential for enhancing overall carbon efficiency, including CFP processing and hydrotreating, by employing red mud catalysts for biomass pyrolysis and tuning the CFP parameters. Detailed analysis of bio-oil and hydrotreated products showed a lower content of lignin-derived species in both samples. Furthermore, CFP processing of three different biomass feedstocks corroborated red mud catalyst development for producing improved quality bio-oil and, when combined with hydrotreating, for the production of fuel range hydrocarbons.

Santosa, Daniel M.↗

How do intermittency and simultaneous processes obfuscate the Arctic influence on midlatitude winter extreme weather events?

Abstract Pronounced changes in the Arctic environment add a new potential driver of anomalous weather patterns in midlatitudes that affect billions of people. Recent studies of these Arctic/midlatitude weather linkages, however, state inconsistent conclusions. A source of uncertainty arises from the chaotic nature of the atmosphere. Thermodynamic forcing by a rapidly warming Arctic contributes to weather events through changing surface heat fluxes and large-scale temperature and pressure gradients. But internal shifts in atmospheric dynamics—the variability of the location, strength, and character of the jet stream, blocking, and stratospheric polar vortex (SPV)—obscure the direct causes and effects. It is important to understand these associated processes to differentiate Arctic-forced variability from natural variability. For example in early winter, reduced Barents/Kara Seas sea-ice coverage may reinforce existing atmospheric teleconnections between the North Atlantic/Arctic and central Asia, and affect downstream weather in East Asia. Reduced sea ice in the Chukchi Sea can amplify atmospheric ridging of high pressure near Alaska, influencing downstream weather across North America. In late winter southward displacement of the SPV, coupled to the troposphere, leads to weather extremes in Eurasia and North America. Combined tropical and sea ice conditions can modulate the variability of the SPV. Observational evidence for Arctic/midlatitude weather linkages continues to accumulate, along with understanding of connections with pre-existing climate states. Relative to natural atmospheric variability, sea-ice loss alone has played a secondary role in Arctic/midlatitude weather linkages; the full influence of Arctic amplification remains uncertain.

Environmental Sciences & Ecology↗

Salts in Hot Water: Developing a Scientific Basis for Supercritical Desalination and Strategic Metal Recovery

Given the steady growth in world population and the ever-increasing fresh water demand, the only sustainable water supply option is desalination. Conceptually, desalination is very simple - just separate dissolved salts from water. While desalination research programs have existed since the 1960s and have resulted in a multitude of approaches, realizing affordable desalination has proven to be a challenge. Our goal is to meet this challenge using low cost heat sources to drive a liquid-discharge-free desalination process that can be co-mingled with the extraction of economically valuable co-products. High temperatures and pressures will be used to manipulate water’s properties, such as the dielectric constant, and hence its ability to solvate ions. Selective precipitation/recovery of valuable metal co-products creates new revenue streams (i.e., cost offsets). We will develop the scientific understanding necessary to control salt precipitation from supercritical seawater, inland brines, and water commonly co-produced with oil and gas. Atomistic simulations will be used to understand at a molecular level the changes in hydrogen bonding and ion solvation that occur as we increase the temperature and/or pressure and change the density and ion concentration. Our simulation results will also aid in the interpretation of experimental data and guide the development of applied thermodynamic models for engineering design calculations.

58 GEOSCIENCES↗

Direct Observation of the Depth of Active Groundwater Circulation in an Alpine Watershed

Abstract The depth of active groundwater circulation is a fundamental control on stream flows and chemistry in mountain watersheds, yet it remains challenging to characterize and is rarely well constrained. We collected hydraulic conductivity, hydraulic head, temperature, chemical, noble gas, and 3 H/ 3 He groundwater age data from discrete levels in two boreholes 46 and 81 m deep in an alpine watershed, in combination with chemical and age data from shallow groundwater discharge, to discern groundwater flow rates at different depths and directly observe active and inactive groundwater. Vertical head gradients are steep (average of 0.4) and thermal profiles are consistent with typical linear conductive continental geotherms. Groundwater deeper than ∼20 m is distinct from shallow groundwater and creek water in its chemistry, noble gas signature, and age (dominantly >65 years compared to <9 years). Together these results suggest low vertical groundwater flow velocities and a relatively shallow active circulation depth of ∼20 m. This hypothesis is tested with a simple 2‐D numerical fluid flow and heat transport model representing a hillslope transect through the two boreholes. The modeling indicates that the subhorizontally bedded sedimentary rocks underlying the basin are highly anisotropic with low vertical hydraulic conductivity, and at most ∼10% of bedrock recharge (equivalent to <2% of stream baseflow) flows below a depth of 20 m. The study demonstrates the considerable value of discrete‐depth hydrogeologic, chemical, and age data for determining active circulation depth, and illustrates an approach for maximizing the utility of individual boreholes drilled for mountain bedrock aquifer characterization.

54 ENVIRONMENTAL SCIENCES↗

High-Temperature Heat Pump Model Documentation and Case Studies

High temperature heat pumps (HTHPs) have the potential to serve two valuable functions in the U.S. industry. First, by valorizing and elevating waste heat streams, HTHPs can improve industrial energy efficiency. Second, by electrifying process heat generation, HTHPs can replace combustion technologies with less carbon-intensive sources of energy and reduce industrial greenhouse gas emissions. In certain applications, the combination of increased efficiency, cost savings, and emissions reduction makes HTHPs a promising component of strategies for industrial electrification and clean energy transition. Researchers at NREL have developed a HTHP model. This model has both a physics-based performance estimation component and an economic evaluation component designed to demonstrate the potential economic competitiveness of HTHPs. This document has three main sections. First, an overview of HTHPs is provided as a literature review of relevant information to provide the reader with state-of-the-art information. Second, a description of the HTHP model is provided along with detailed instructions about how to use the model. Third, case studies are provided to showcase the deployment of the HTHP model.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Shifting groundwater fluxes in bedrock fractures: Evidence from stream water radon and water isotopes

Geologic features (e.g., fractures and alluvial fans) can play an important role in the locations and volumes of groundwater discharge and degree of groundwater-surface water (GW-SW) interactions. However, the role of these features in controlling GW-SW dynamics and streamflow generation processes are not well constrained. GW-SW interactions and streamflow generation processes are further complicated by variability in precipitation inputs from summer and fall monsoon rains, as well as declines in snowpack and changing melt dynamics driven by warming temperatures. Using high spatial and temporal resolution radon and water stable isotope sampling and a 1D groundwater flux model, we evaluated how groundwater contributions and GW-SW interactions varied along a stream reach impacted by fractures (fractured-zone) and below the fractured hillslope (non-fractured zone) in Coal Creek, a Colorado River headwater stream affected by summer monsoons. During early summer, groundwater contributions from the fractured zone dominated, but declined throughout the summer. Groundwater contributions from the non-fractured zone were constant throughout the summer and became proportionally more important later in the summer. We hypothesize that groundwater in the non-fractured zone is dominantly sourced from a high-storage alluvial fan at the base of a tributary that is connected to Coal Creek throughout the summer and provides consistent groundwater influx. Water isotope data revealed that Coal Creek responds quickly to incoming precipitation early in the summer, and summer precipitation becomes more important for streamflow generation later in the summer. We quantified the change in catchment dynamic storage and found it negatively related to stream water isotope values, and positively related to modeled groundwater discharge and the ratio of fractured zone to non-fractured zone groundwater. Importantly, we interpret these relationships as declining hydrologic connectivity throughout the summer leading to late summer streamflow supported predominantly by shallow flow paths, with variable response to drying from geologic features based on their storage. As groundwater becomes more important for sustaining summer flows, quantifying local geologic controls on groundwater inputs and their response to variable moisture conditions may become critical for accurate predictions of streamflow.

54 ENVIRONMENTAL SCIENCES↗