Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “process mining”

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

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Panel Session 116: Waste Management from Remediation of Legacy Sites or Unplanned Releases

Past experiences have shown that there is often a disconnect between Indigenous societies and Western society. This disconnect can be attributed to different value systems between these two group and is not limited to the USA and Canada but also extends into Australia, New Zealand, and the Central Asia Republics (the 'five Stans'). The intent of this Panel Session to give voice to representatives from Indigenous communities, the challenges presented in remediation processes, and potential solutions. Standard risk assessment assumptions developed for Western societies often do not adequately address the cultural and spiritual values that may be unique to indigenous societies. This panel focused on the perspectives of Indigenous societies (e.g., Indian Tribes (US), First Nations (Canada)) related to risk assessment of environmental remediation challenges, including deep geological disposal of HLW and ILW, near-surface disposal of LLW and in-situ entombment of nuclear reactor components, and environmental remediation of abandoned uranium mines and historic wastes. Standard risk assessment assumptions often do not adequately address the cultural and spiritual values that may be unique to indigenous societies. Factoring those into a risk assessment that still meets regulatory requirements and policies such as reasonably anticipated land use at US EPA CERCLA sites can be challenging but has the potential to lead to a site or facility approach that is more accepted. Panelists with presentations: The U.S. Nuclear Regulatory Commission Regulatory Process - A Path for Indigenous Knowledge? (Francis Cameron); Local Community Perceptions and Remediation Projects (Michelle Roberts); Indigenous Perspectives on Risk Assessment (Bob Watts); Navajo Superfund Program: Fundamental Law and Traditional Ecological Knowledge (Dariel Yazzie); Risk Assessment: Two Indigenous Approaches (Whitney Fraser)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

The role of the droplet interface in controlling the multiphase oxidation of thiosulfate by ozone

Predicting reaction kinetics in aqueous microdroplets, including aerosols and cloud droplets, is challenging due to the probability that the underlying reaction mechanism can occur both at the surface and in the interior of the droplet. Additionally, few studies directly measure the surface activities of doubly charged anions, despite their prevalence in the atmosphere. Here, deep-UV second harmonic generation spectroscopy is used to probe surface affinities of the doubly charged anions thiosulfate, sulfate, and sulfite, key species in the thiosulfate ozonation reaction mechanism. Thiosulfate has an appreciable surface affinity with a measured Gibbs free energy of adsorption of -7.3 ± 2.5 kJ mol -1 in neutral solution, while sulfate and sulfite exhibit negligible surface propensity. The Gibbs free energy is combined with data from liquid flat jet ambient pressure X-ray photoelectron spectroscopy to constrain the concentration of thiosulfate at the surface in our model. Stochastic kinetic simulations leveraging these novel measurements show that the primary reaction between thiosulfate and ozone occurs at the interface and in the bulk, with the contribution of the interface decreasing from ~65% at pH 5 to ~45% at pH 13. Additionally, sulfate, the major product of thiosulfate ozonation and an important species in atmospheric processes, can be produced by two different pathways at pH 5, one with a contribution from the interface of >70% and the other occurring predominantly in the bulk (>98%). The observations in this work have implications for mining wastewater remediation, atmospheric chemistry, and understanding other complex reaction mechanisms in multiphase environments. Future interfacial or microdroplet/aerosol chemistry studies should carefully consider the role of both surface and bulk chemistry.

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

Stabilization of Uranium Metal by Chloride Conversion-Economical, Safe, Scalable [Factsheet]

Researchers at Los Alamos National Laboratory have developed SUCCESS, a process to convert uranium metal to uranium tetrachloride enabling production of these valuable compounds for actinide science, molten salt nuclear reactors, and energy research. Conventional methods are problematic due to the oxide reduction processes use rare reagents and generate significant amounts of waste and hydride conversion process using chlorine at high temperature is hazardous. This new method using inexpensive reagents chemically transform uranium metal into uranium halide compounds under mild conditions. The facile conversion to stable uranium tetrachloride could reduce the need to mine uranium for uses other than nuclear, by recycling the uranium without oxidation. The Laboratory is interested in supporting further scale-up efforts using a Cooperative Research and Development Agreement (CRADA) or by granting a license to a qualified entity

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Extracting Critical Metals from Authentic Bauxite Residue

Securing domestic sources of critical minerals (CM) is paramount to ensuring a robust and self-sustaining technology infrastructure. Utilizing untapped non-conventional sources, like acid mine drainage, coal ash, bauxite residue/red mud, and more is an emerging approach that addresses this national concern while identifying new value-added pathways originating from waste streams. Red mud is a byproduct of the Bayer process that produces alumina and contains a wealth of CM – 50 µg/g Ga, 2.9 mg/g total rare earth elements plus yttrium, 12 mg/g Mn, 58 mg/g Al, and others. About 170 MM tonnes of red mud are co-produced annually alongside the 142 MM tonnes of alumina generated, highlighting the abundancy of this feedstock. In this work, different strategies were explored for extracting CM from authentic bauxite residue that involve thermal heating, microwave heating, and sonication all with different acids and buffers. CM recovery was then explored one step further by testing the adsorption of the extracted metals onto NETL’s Multi-functional Sorbent Technology (MUST). Microwave treatment of red mud proved the most effective CM extraction, whereas sonication was less desirable due to scale-up concerns. Successful recovery of CM from this leachate with MUST supports further studies toward optimizing the overall process.

bauxite residue↗
DOE OSTI2023

UNrealized Critical Lanthanide Extraction from Sea Algae Mining (UNCLE SAM)

The UNCLE-SAM project, under the Biotechnologies to Ensure a Robust Supply of Critical Materials for Clean Energy program, examined the biomining applications of seaweeds for sustainable, domestic production of critical mineral feedstocks. The ocean is a vast reserve of mineralogical wealth including rare earth elements (REEs) and platinum group metal (PGMs). These elements, categorized as “critical minerals”, are used in telecommunication devices, lasers, LED lighting, turbine generators, electric car motors, jet engine alloys, and many other applications. These critical elements are increasingly vital to a thriving, efficient and sustainable society. However, only a few countries in the global market currently produce and export REEs, leading to potential geopolitical supply disruptions. Marine macroalgae, often referred to as seaweeds, bioconcentrate critical minerals from seawater, including REEs and PGMs. Marine algae cultivation can generate a significant amount of biomass with minimal freshwater, fertilizer, and land requirements. In summary, the UNCLE-SAM project successfully evaluated the technological feasibility for marine macroalgal cultivation as a feedstock for critical minerals, explored the biological capacity of different seaweeds to provide economically relevant domestic mineral production, assessed processing techniques for thermal co-conversion of seaweeds into renewable fuel and mineral feedstocks, and executed techno-economic and lifecycle assessments for identifying the most critical gaps in our current understanding to move the technology into commercially relevant deployment. Further development of this technology could transform the bioproduct and REE mining industries and catalyze the development of a more sustainable future.

09 BIOMASS FUELS↗
DOE OSTI2023

Unrealized Critical Lanthanide Extraction from Sea Algae Mining (UNCLE SAM): Domestic production of critical minerals from seawater

The UNCLE-SAM project, under the Biotechnologies to Ensure a Robust Supply of Critical Materials for Clean Energy program, examined the biomining applications of seaweeds for sustainable, domestic production of critical mineral feedstocks. The ocean is a vast reserve of mineralogical wealth including rare earth elements (REEs) and platinum group metal (PGMs). These elements, categorized as “critical minerals”, are used in telecommunication devices, lasers, LED lighting, turbine generators, electric car motors, jet engine alloys, and many other applications. These critical elements are increasingly vital to a thriving, efficient and sustainable society. However, only a few countries in the global market currently produce and export REEs, leading to potential geopolitical supply disruptions. Marine macroalgae, often referred to as seaweeds, bioconcentrate critical minerals from seawater, including REEs and PGMs. Marine algae cultivation can generate a significant amount of biomass with minimal freshwater, fertilizer, and land requirements. In summary, the UNCLE-SAM project successfully evaluated the technological feasibility for marine macroalgal cultivation as a feedstock for critical minerals, explored the biological capacity of different seaweeds to provide economically relevant domestic mineral production, assessed processing techniques for thermal co-conversion of seaweeds into renewable fuel and mineral feedstocks, and executed techno-economic and lifecycle assessments for identifying the most critical gaps in our current understanding to move the technology into commercially relevant deployment. Further development of this technology could transform the bioproduct and REE mining industries and catalyze the development of a more sustainable future.

58 GEOSCIENCES↗
DOE OSTI2022

A review study of rare Earth, Cobalt, Lithium, and Manganese in Coal-based sources and process development for their recovery

The world’s majority predominantly relies on foreign sources for supplying critical minerals. This renders the countries susceptible to supply chain disruption and urges them to develop alternative sources to compete in technological advancements. Among many proven newly identified sources, coal and coal-based materials present their opportunities. Due to the complex structure of coal, many mineral forms can be found in coal-related sources, including critical element-containing minerals. Among the fifty critical elements and minerals defined by the USGS, the rare earth elements, cobalt, lithium, and manganese, are particularly significant as they have enormous importance in high-technology product development. These critical metals can be found in high concentrations in coal-derived sources, such as coal refuse, coal combustion products, and coal acid mine drainage, and be recovered through various separation techniques. Further, this study aims to advance the understanding of these elements' extraction and commercial potential from coal and coal-related sources and help address the world's challenges in the critical mineral supply chain. The concentrations and occurrences of these four commodities in coal-related sources were first reviewed. Later, their recovery processes were discussed, and a conceptual process flowsheet was proposed to selectively recover the rare earth elements, lithium, cobalt, and manganese from coal-based sources.

58 GEOSCIENCES↗
DOE OSTI2022

Uranium sorption to organic matter and long-term accumulation in a pristine alpine wetland

Understanding the controls on uranium (U) mobility in the environment is key to improve the management of sites contaminated by U mining activities. Previous research has shown that natural or engineered wetlands are particularly able to scavenge high amounts of U(VI) and U(IV) under noncrystalline forms. However, questions remain on the respective roles of sorption and reduction processes in the removal of U from running waters in wetlands, as well as on the long-term stability of U storage. Here, we performed a series of geochemical, isotopic ($δ$ 238 U, ( 234 U/ 238 U)), microscopic (SEM-EDXS, EPMA) and spectroscopic (µ-XRF, µ-XAS, XANES and EXAFS at the U L 3 and M 4 -edges and Fe K-edge) investigations to determine the modes of U accumulation and assess U mobility in a natural exceptionally U-enriched (up to 5000 µg/g) wetland on the shore of Lake Nègre (Mediterranean Alps, France). Uranium (VI) was largely dominant in the two studied soil cores, except a few samples containing as much as ~50 % U(IV). At the particle scale, U is associated to a variety of organic constituents of the soil matrix with a homogenous oxidation state. Bulk EXAFS spectroscopy at the U L 3 -edge shows that U is mostly mononuclear, with dominant monodentate binding to organic moieties (C neighbors at ~3.45 Å). An additional minor fraction of U under polymeric forms is inferred from wavelet (CCWT) analysis of the EXAFS data. These observations are reinforced by 1 M bicarbonate extractions that result in the dissolution of 82–96 % of total U, including putative polymeric species. At the wetland scale, similar or slightly fractionated isotopic ratios ($δ$ 238 U) between the wetland-feeding creek waters and the wetland soils are observed, supporting the idea that U(VI) sorption on organic matter is the primary U scavenging mechanism. Furthermore, it indicates that partial U(VI) reduction to U(IV) occurs as a second step, after sorption. Analysis of U decay chain disequilibria in the cores as a function of depth suggests that U accumulation in this wetland has lasted for several thousand years. In conclusion, we propose that the wetland acts as an active reactor where U has been massively accumulating for ~14500 years, especially as U(VI) forms associated to organic matter and is further partly exported to the lake through soil erosion.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2022

DECOVALEX-2023, Task F Specification, Revision 8

This report is the revised (Revision 8) Task F specification for DECOVALEX-2023. Task F is a comparison of the models and methods used in deep geologic repository performance assessment. The task proposes to develop a reference case for a mined repository in a fractured crystalline host rock and a reference case for a mined repository in a salt formation. Teams may choose to participate in the comparison for either or both of the reference cases. For each reference case, a common set of conceptual models and parameters describing features, events, and processes that impact performance will be given, and teams will be responsible for determining how best to implement and couple the models. The comparison will be conducted in stages, beginning with a comparison of key outputs of individual process models, followed by a comparison of a single deterministic simulation of the full reference case, and moving on to uncertainty propagation and uncertainty and sensitivity analysis. This report provides background information, a summary of the proposed reference cases, and a staged plan for the analysis.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

DECOVALEX-2023 Task F Specification (Rev. 9)

This report is the revised (Revision 9) Task F specification for DECOVALEX-2023. Task F is a comparison of the models and methods used in deep geologic repository performance assessment. The task proposes to develop a reference case for a mined repository in a fractured crystalline host rock (Task F1) and a reference case for a mined repository in a salt formation (Task F2). Teams may choose to participate in the comparison for either or both reference cases. For each reference case, a common set of conceptual models and parameters describing features, events, and processes that impact performance will be given, and teams will be responsible for determining how best to implement and couple the models. The comparison will be conducted in stages, beginning with a comparison of key outputs of individual process models, followed by a comparison of a single deterministic simulation of the full reference case, and moving on to uncertainty propagation and uncertainty and sensitivity analysis. This report provides background information, a summary of the proposed reference cases, and a staged plan for the analysis.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

DECOVALEX-2023: Task F Specification (Revision 10)

This report is the revised (Revision 10) Task F specification for DECOVALEX-2023. Task F is a comparison of the models and methods used in deep geologic repository performance assessment. The task proposes to develop a reference case for a mined repository in a fractured crystalline host rock (Task F1) and a reference case for a mined repository in a salt formation (Task F2). Teams may choose to participate in the comparison for either or both reference cases. For each reference case, a common set of conceptual models and parameters describing features, events, and processes that impact performance will be given, and teams will be responsible for determining how best to implement and couple the models. The comparison will be conducted in stages, beginning with a comparison of key outputs of individual process models, followed by a comparison of a single deterministic simulation of the full reference case, and moving on to uncertainty propagation and uncertainty and sensitivity analysis. This report provides background information, a summary of the proposed reference cases, and a staged plan for the analysis.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Sustainable and Energy-Efficient Production of Rare-Earth Metals via Chloride-Based Molten Salt Electrolysis

Neodymium metal is a critical component of rare earth magnets, essential for electric vehicles and the green energy transition, but its production has severe environmental impacts across its mining, separation, purification, and metal electrowinning steps. Specifically, conventional neodymium electrowinning in oxyfluoride molten salts using a consumable graphite anode generates greenhouse gases, e.g., carbon dioxide and perfluorocarbon (PFC). We propose an alternative chloride-based molten salt electrolysis process utilizing a novel dimensionally stable anode (DSA). Our process lowers the specific electrical energy consumption compared to the state of the art, while producing reusable chlorine gas and eliminating direct CO 2 and PFC emissions. Chloride-based molten salt electrolysis of NdCl 3 (1.65 M) added to a LiCl–KCl eutectic (45:55 wt %), while using a RuO 2 -coated DSA enables high Coulombic efficiency (>80%), low specific energy consumption (2.3 kWh/kg-Nd), and excellent electrowon Nd product purity (>97 wt %). Life cycle analysis, excluding the common input feedstock (Nd 2 O 3 ), shows that the global warming potential for the proposed chloride-based electrolysis approach is 5 kg CO 2 equivalent, compared to 9–16 kg CO 2 equivalent for the conventional process, representing a 44–69% reduction in CO 2 emissions.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Innovations in Sustainable Passive Wastewater Treatment - 20236

Sustainable water treatment systems, engineered to mimic natural processes and utilize natural materials, yield economic and environmental benefits through reductions in long term operational inputs, including: power, chemicals, and labor. Golder is an industry leader in the development and implementation of sustainable technologies at operating and closed mines. We continue to innovate these technologies and customize solutions to meet client needs by applying past experience and focused research. Sustainable (or passive) water treatment systems include ponds, wetlands, flow-through natural media beds, and limestone drains. These systems can blend in with a natural environment, are highly cost-effective for long-term water treatment, and can outcompete traditional active treatment technologies. Application of sustainable technologies relative to active technologies can be influenced by the influent water matrix, effluent limitations, flow rate of water requiring treatment, and available land area. In this presentation, four Golder-developed systems are reviewed as case studies, demonstrating our continued progressive approach to advancing sustainable water treatment technologies to meet industry needs. These case studies focus on design innovations and operational performance from data collected from the operational systems. Resources (power, chemicals, labor) required for the operation of each case study are compared with those that would be required for operation of their active treatment technology alternatives. - Case Study 1 presents an anaerobic biochemical reactor (BCR), a technology typically implemented for metals treatment and acid neutralization, for the treatment of sulfate to low concentrations (<250 mg/L). Active treatment via reverse osmosis (RO) membrane filtration is typically required for treatment of sulfate to similar concentrations, this innovation provides potential for sustainable treatment to replace the need for energy, chemical, labor, and waste (brine) intensive RO treatment for specific applications. Magnetite waste rock materials from the site were upcycled for use in this system to provide sequestration of the sulfide generated in the BCR. - Case Study 2 examines another novel application of the conventional BCR, modified for the removal of radionuclides and metals (uranium, radium, and selenium) at a closed uranium mine. - Case Study 3 presents implementation of sustainable treatment for mine drain water from a historic mine site, now a state park with around 100,000 visitors per year. The system includes a pond, wetland, and manganese removal bed surrounded by public trails designed to maintain the character of the park. The system treats for arsenic, iron, and manganese at relatively high flows (up to 1,200 gpm), with large seasonal fluctuations in flow and quality. - Case Study 4 is a unique project for which Golder is currently designing a sustainable treatment system, with no energy input, to treat nitrate in mine water post-closure at a site near the arctic circle. In this unprecedented application, climate, management of freshet, and space availability presented substantial technical challenges. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

The DECOVALEX international collaboration on modeling of coupled subsurface processes and its contribution to confidence building in radioactive waste disposal

Abstract The long-lived radiotoxicity of the high-level radioactive waste generated by nuclear power plants requires safe isolation from the biosphere for many hundreds of thousands of years. An international consensus has emerged that such isolation can best be provided by disposal in mined geologic repositories, a strategy that today is pursued by most countries dealing with radioactive waste. However, the need to predict the performance of such repositories over very long time periods generates large uncertainties that have to be accounted for in safety assessments. The findings from such safety assessments need to be conveyed to all stakeholders in a clear way, such that public confidence in geologic disposal solutions can be achieved. It is suggested here that close international collaboration on the technical aspects of geologic waste disposal has helped, and will continue to help, building trust and increasing confidence. This paper discusses a particular international collaboration initiative referred to as DECOVALEX, which brings together multiple teams and disciplines to collectively tackle complex experimental and modeling challenges related to geologic disposal. By describing how DECOVALEX works and by providing joint research examples, a case is made that such international collaboration contributes to knowledge transfer and confidence building in radioactive waste disposal science.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Simulating single-particle dynamics in magnetized plasmas: The RMF code

The RMF (Rotating Magnetic Field) code is designed to calculate the motion of a charged particle in a given electromagnetic field. It integrates Hamilton’s equations in cylindrical coordinates using an adaptive predictor-corrector double-precision variable-coefficient ordinary differential equation solver for speed and accuracy. RMF has multiple capabilities for the field. Particle motion is initialized by specifying the position and velocity vectors. Here, the six-dimensional state vector and derived quantities are saved as functions of time. A post-processing graphics code, XDRAW, is used on the stored output to plot up to 12 windows of any two quantities using different colors to denote successive time intervals. Multiple cases of RMF may be run in parallel and perform data mining on the results. Recent features are a synthetic diagnostic for simulating the observations of charge-exchange-neutral energy distributions and RF grids to explore a Fermi acceleration parallel to static magnetic fields.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Techno-Economic Screening Analysis of CO2 Removal Through Enhanced Weathering

Terrestrial enhanced weathering has emerged as a technology of interest due to its simplicity, low energy requirement, and potentially low capital investment requirement. Due to the novelty of this technology, there is limited literature exploring the techno-economics of the process. This presentation reports on a screening techno-economic analysis that examines the impact of key factors that influence terrestrial enhanced weathering performance and cost. Two cases are considered for analysis, based on the material used: (1) Naturally occurring mined igneous rock (2) Industrial waste materials (like biomass ash or cement kiln dust) The analysis considers locating the terrestrial enhanced weathering system in the Midwestern United States, because of proximity to alkaline materials, availability of farmland, and appropriate ambient conditions for weathering. For the igneous rock case, the size of the system is based on the average amount of igneous rock available from a single mine—250,000 tonnes/year. For the industrial waste case, the size of the system is based on the amount of suitable waste material produced by an industrial hub—150,000 tonnes/year.

Leptinsky, Sarah↗
DOE OSTI2020

Application of an Embedded Fracture and Borehole Modeling Approach to the Understanding of EGS Collab Experiment 1

EGS Collab is a series of meso-scale experiments and associated numerical simulation activities being funded by the United States Department of Energy, Geothermal Technologies Office (GTO) to investigate enhanced geothermal system processes under in-situ stress and slightly elevated temperature conditions. This project is designed to provide scientists and engineers with immediate access to impermeable rock at scales larger than possible in the laboratory, but generally smaller than those for commercial production. Immediate access to rock is provided via the existing drifts of the former Homestake Gold Mine, now operated as the Sanford Underground Research Facility in Lead, South Dakota. The objectives of the EGS Collab project are to develop well controlled fracture networks between injector and producer boreholes using normal and shear stimulation for permeability enhancement. The first experimental site was located off the West Access drift on the 4850 Level (4850 feet below ground surface) in phyllite of the Precambrian Poorman formation, and involved the creation of a fracture network comprising a combination of hydraulic and natural fractures. A second experimental site is now being considered near the battery alcove on the 4100 Level in amphibolite and rhyolite of the Yates Unit. Data generated during these experiments will be compared against predictions of a suite of computer codes specifically designed to solve problems involving coupled thermal, hydrological, geomechanical, and geochemical processes. Comparisons between experimental and numerical simulation results will provide code developers with direction for improvements and verification of process models, build confidence in the suite of available numerical tools, and ultimately identify critical future development needs for the geothermal modeling community. Moreover, conducting thorough comparisons of models, modelling approaches, measurement approaches and measured data, via the EGS Collab project, will serve to identify techniques that are most likely to succeed at the Frontier Observatory for Research in Geothermal Energy (FORGE), the GTO’s flagship EGS research effort. Experiment 1 has comprised a series of successful tests, including a long-term chilled-water circulation test, but the testbed has two atypical EGS elements. Active ventilation in the adjacent drift over a 50-year period cooled the testbed rock mass and hydraulic fracturing intersected monitoring boreholes making them conduits for fluid flow. Numerical simulations executed in support of the design of the EGS Collab Experiment 1, computed a radial temperature distribution and stress gradient orthogonal to the drift axis, resulting in the forecast of an oblong hydraulic fracture geometry, extended in the direction of the drift from the stimulation borehole. This paper describes the numerical simulation of long-term chilled-water circulation test with an embedded fracture and borehole modeling approach. The principal objective of the simulation work is show agreement between experimental observations in terms of production fluid temperatures, monitoring borehole temperatures, injection and production pressures, and tracer recoveries using a single conceptual model for the fracture network, using characterization and monitoring data generally available for EGS. A secondary objective is to improve the numerical simulation result comparisons with additional data available from the broader monitoring equipment within the testbed versus deeper, hotter, and more remote EGS. One complicating factor for comparisons between the numerical simulation results and experimental observations, is the Joule-Thomson heating associated with large pressure drops across the fracture network.

numerical simulation, embedded fractures and boreh↗
DOE OSTI2025

Synthesis, Crystal Structure, and Optical Properties of the Barium meta -Pertechnetate Ba[TcO 4 ] 2

High-quality single crystals of the colorless title compound Ba[ 99 TcO 4 ] 2 were prepared from radioactive, isotope-pure 99 TcO 2 by oxidation with H 2 O 2 in an aqueous ammonia solution and subsequent cation metathesis using an ion-exchange column. Single-crystal X-ray diffraction revealed Ba[TcO 4 ] 2 to crystallize isotopically to Ba[MnO 4 ] 2 in the orthorhombic space group Fddd with the lattice parameters a = 747.34(5) pm, b = 1244.08(7) pm, and c = 1511.23(9) pm for Z = 8. Its crystal structure features [BaO 12 ] 22- icosahedra surrounded by ten [TcO 4 ] - tetrahedra connected via two edges and eight corners. The optical properties of Ba[TcO 4 ] 2 investigated by UV-vis spectroscopy show the broad O 2- → Tc 7+ ligand-to-metal charge transfer (2p → 4d) process within these discrete [TcO 4 ]- anions at an absorption maximum of around 350 nm.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗