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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.

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At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Mixed-anion electrolytes: from bulk speciation to interfacial dynamics in divalent metal electrodeposition

Mixing anions is emerging as a promising strategy for multivalent electrolyte design, allowing for adjustment of the solvation structure of bulk cations and enhancing the efficiency of electrochemical processes (e.g. metal deposition for batteries and catalysis). Further progress in electrolyte development requires a fundamental understanding of how tailored electrolyte speciation in mixed anion systems can modify the dynamic electrochemical interface during metal cycling. In this study, we present an anode-focused mechanistic study of exemplar Mg electrolytes containing three different secondary anions, correlating electrochemical behavior with bulk speciation and operando interfacial dynamics. Electrospray Ionization-Mass Spectrometry (ESI-MS) results reveal a general trend of forming mixed anion contact ion pairs (CIPs) across various anions, with the extent of ion pairing influenced by the association strength of the secondary anion. Operando multiharmonic electrochemical quartz crystal microbalance with dissipation (EQCM-D) reveals how these bulk species influence interfacial mass uptake, viscoelasticity, and solvent-coupled hydrodynamic behavior during deposition and stripping. The results indicate that Mg-containing ion pairs and solvated complexes shape adsorption, nucleation, and deposit growth, leading to distinct anion-dependent interphases ranging from more permeable, solvent-coupled layers to relatively compact and rigid deposits. This work establishes a quantitative link between bulk speciation and interfacial dynamics in divalent metal electrodeposition and provides mechanistic guidance for electrolyte design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

AEOLIAN INTERDUNE FACIES OF THE NAVAJO SANDSTONE, UTAH

During the Early Jurassic an extensive desert environment covered a large area of the Western Interior of the USA. The Navajo Sandstone erg is thought to be one of the largest dunefields preserved in the rock record, estimated to have covered well over 500,000 km2, though the preserved extent is less due to erosion. The Navajo Sandstone outcrops extensively in eastern and southern Utah, forming spectacular domes and arches, including those in Arches National Park. Navajo Sandstone aeolian dunes consist of stacked, tabular sandstone bodies, displaying steeply dipping crossbedding, and are on average 15 m thick, with high porosity and permeability. In addition to these extensive paleodunes, interdune deposits are also documented, consisting of lensoid sandstone or pale grey limestone, of approximately 1-7 m thick. This research forms part of a broader investigation into the Navajo Sandstone in Utah, focusing on its potential as a CO2 reservoir. The internal stratigraphy of the Navajo Sandstone can be complex, with multiple types of aeolian surfaces present including discontinuous inter-dune contacts, and inclined bedding planes associated with large climbing dunes. Interdune deposits may be associated with more laterally extensive stratigraphic surfaces, highlighting their importance in the internal stratigraphic framework of the Navajo Sandstone erg. Here we interpret facies and depositional processes of aeolian interdune deposits of the Navajo Sandstone throughout Utah, using well log, outcrop, and thin sections. Interdune deposits range in type from short lived, small ponds of predominantly reworked aeolian sediment, to comparatively long-lived oases consisting of lakes with extensive ecosystems. This project aims to increase our understanding of an important potential CO2 reservoir, and enhance understanding of stratigraphic complexity within one of the world's most significant aeolian systems.

Mahon, Elizabeth (ORCID:0000000252692454)↗
DOE OSTI2024

Comparative Assessment of U-Net-Based Deep Learning Models for Segmenting Microfractures and Pore Spaces in Digital Rocks

Segmentation of high-resolution X-ray microcomputed tomography (µCT) images is crucial in digital rock physics (DRP), affecting the characterization and analysis of microscale phenomena in the porous media. The complexity of geological structures and nonideal scanning conditions pose significant challenges to conventional image segmentation approaches. Motivated by the recent increasing popularity of deep learning (DL) techniques in image processing, this work undertakes a comparative study of DL models, specifically U-Net and its variants, for segmenting multiple targets with distinguished features in digital rocks, including discrete fracture networks (DFNs), pore spaces, and solid rock. Particularly, DFNs have a smaller volumetric fraction over others, bringing in a substantial challenge of imbalanced segmentation. The primary focus is to evaluate the architecture and feature enhancement strategies of various DL models, including U-Net, attention U-Net, residual U-Net, U-Net++, and residual U-Net++. The models were designed as 2.5D, utilizing a central 2D image and its two adjacent upper and lower 2D images as input to provide a pseudo-3D context. In addition, because the ground truth of segmentation was unknown for real-world digital rocks, we created a benchmark data set following the inverse operations of segmentation. The data synthesis started from the label images (i.e., solid rock, pore spaces, and DFNs), followed by simulating partial volume blurring, adding random background noise, and introducing ring artifacts to mimic real raw X-ray µCT images. The data set, which included various rock types (i.e., sandstone and artificial data), scanning resolution, and magnitudes of noise and artifacts, was divided into training and testing data sets with a 90% and 10% ratio, respectively. Moreover, in addition to the conventional pixel-wise evaluation metrics, the physics-based metric of the lattice-Boltzmann method (LBM) simulated permeability provided more comprehensive assessments. The results demonstrated that the residual connections, nested architectures, and redesigned skip connections contribute to the model performance and give the residual U-Net++ the highest accuracy. The improvements were mainly on the boundaries and small targets, especially the DFNs, which dominate the interconnectivity and therefore affect the permeability greatly. This study also rigorously evaluated the efficiency and generalization of each model, demonstrating that the sophisticated architectures achieved excellent practicability and maintained robust performance on completely unseen data, ensuring their suitability for diverse and challenging DRP applications.

58 GEOSCIENCES↗
DOE OSTI2023

Radionuclide transport in fractured chalk under abrupt changes in salinity

Internationally, it has been agreed that geologic repositories for spent fuel and radioactive waste are considered the internationally agreed upon solution for intermediate and long-term disposal. In countries where traditional nuclear waste repository host rocks (e.g., clay, salt, granite) are not available, other low permeability lithologies must be studied. Here, chalk is considered to determine its viability for disposal. Despite chalk's low bulk permeability, it may contain fracture networks that can facilitate radionuclide transport. In arid areas, groundwater salinity may change seasonally due to the mixing between brackish groundwater and fresh meteoric water. Such salinity changes may impact the radionuclides' mobility. In this study, radioactive U(VI) and radionuclide simulant tracers (Sr, Ce and Re) were injected into a naturally fractured chalk core. The mobility of tracers was investigated under abrupt salinity variations. Two solutions were used: a low ionic strength (IS) artificial rainwater (ARW; IS ~0.002) and a high IS artificial groundwater (AGW; IS ~0.2). During the experiments, the tracers were added to ARW, then the carrier was changed to AGW, and vice versa. Ce was mobile only in colloidal form, while Re was transported as a conservative tracer. Both Re and Ce demonstrated no change in mobility due to salinity changes. In contrast, U and Sr showed increased mobility when AGW was introduced and decreased mobility when ARW was introduced into the core. These experimental results, supported by reactive transport modeling, suggest that saline groundwater solutions promote U and Sr release via ion-exchange and enhance their migration in fractured chalk. Here the study emphasizes the impact of salinity variations near spent fuel repositories and their possible impact on radionuclide mobility.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2023

Precisely segmented PEEK–ionene + ionic liquid composite membranes for CO 2 separation

Ionenes, polymers with ionic groups incorporated directly within the backbone are a highly versatile class of materials, although they have received much less attention than polyelectrolytes which have ionic groups pendant from the polymer backbone. By designing ionenes that incorporate robust properties of poly(ether ether ketone) (PEEK), we have achieved new imidazolium-containing PEEK–ionene architectures that create opportunities for enhanced CO 2 separation membranes. To achieve these materials, an new imidazole-functionalized PEEK oligomer (ImK(EEK) 2 KIm) was synthesized through facile and straightforward routes. This molecule was then polymerized via condensation reactions with two different aromatic (α,α'-dibromo-p-xylene) and aliphatic (dibromohexyl containing-bis(imidazolium)hexane dibromide salt) comonomers and exchanged with bistriflimide ([Tf 2 N]) anion to obtain two unique PEEK–ionenes containing distinct PEEK and ionic segments: p([ImK(EEK) 2 Im-p-xyl][Tf 2 N] 2 ) and p([ImK(EEK) 2 (ImC 6 ) 3 ][Tf 2 N] 4 ). While the neat PEEK–ionenes exhibited high molecular weight but were not able to form high-quality films, adding stoichiometric amounts of “free” IL (1-methyl-3-butylimidazolium bistriflimide, [C 4 mIm][Tf 2 N]), greatly improved the flexibility and processability of the resultant membranes. Further, the structure–property relationships of bulk PEEK–ionenes and corresponding composites were extensively characterized by different analytical techniques (thermogravimetric analysis, differential scanning calorimetry, X-ray diffraction, and solid-state NMR). In conclusion, the gas separation properties were investigated, with the PEEK–ionenes + IL composites exhibiting CO 2 permeabilities of 14–94 barrer and good CO 2 /N 2 permselectivities of 26–35, indicating that new designs of segmented ionenes and composites with ILs a promising material design strategy for developing gas separation membranes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

CO 2 -Soluble Nonionic Surfactants for Enhanced CO 2 Storage via In Situ Foam Generation

Geologic carbon storage (GCS) is a rapidly evolving technology with the potential to reduce the environmental impact of fos-sil fuels. Saline aquifers, which comprise a sandstone matrix with brine in the pores, make up much of the pore space availa-ble for CO 2 storage in the United States. When CO 2 is injected in saline aquifers, however, capillary fingering occurs and only a small percentage of the pore space is filled with CO 2 . This is due to the low viscosity of CO 2 , which is roughly ten times less viscous than brine. To address this problem, we tested the ability of inexpensive, commercially available nonionic surfactants to be dissolved in the injected CO 2 and increase the apparent viscosity of CO 2 by generating CO 2 -in-water foams in situ.

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

Geothermal Deep Direct Use for Turbine Inlet Cooling in East Texas

The National Renewable Energy Laboratory (NREL), the Southern Methodist University Geothermal Laboratory (SMU), Eastman Chemical (Longview, TX), and TAS (Houston, TX) evaluated the feasibility of using geothermal heat to improve the performance of a natural-gas power plant in East Texas. The area of interest is the Eastman Chemical plant in Longview, Texas, which is on the northwestern margin of a geologic region known as the Sabine Uplift. The feasibility study focused on determining the potential for accessing a subsurface hot-water geothermal resource within a 10-km radius of the site to provide thermal energy for absorption chillers. Wells within a 20-km radius are included for broader geological comparison to determine the heat flow, temperature-at-depth, field porosity and permeability. The lithologies of most interest are the Lower Cretaceous Trinity Group and Upper Jurassic Cotton Valley Group. The deeper Cotton Valley formations are hotter (averaging 117 to 130°C), yet permeability and porosity are low. The shallower Trinity Group contains more variability in permeability and porosity and lower temperatures averaging about 98 to 117°C. The shallower formations are considered despite the lower temperature because of increased ability to produce larger volumes of water and extract enough heat before reinjection. The complete SMU analysis is available in the National Geothermal Data System (NGDS). Tapping such deep geothermal sources for direct heating (as opposed to power generation) is known as geothermal deep direct use (DDU). Geothermal DDU has potential across a wide swath of the United States but is underutilized due to challenging project economics associated with developing a deep geothermal resource for what are typically small-scale, variable-demand projects. This project examines the feasibility of geothermal energy integration in a natural-gas combined cycle power station in East Texas. The DDU resource is tapped to drive absorption chillers (24/7) for production of chilled water at 5-10°C (41-50°F). This chilled water is stored until needed, which allows for continuous operation with a relatively small-capacity geothermal/absorption chiller system. When conditions are favorable, the chilled water is dispatched to cool the air entering the compressor stage of a gas combustion turbine. This process, known as turbine inlet cooling (TIC), boosts power production during periods of high temperature and high-power demand. Such systems can enhance grid reliability and reduce the cost for peak-demand power. A simulation model of the power plant was developed in IPSEpro software and validated against operational data from the plant. This model allowed the team to estimate the additional power that could be produced by applying TIC under different operating and ambient conditions. Absorption chiller performance was estimated from vendor sources to determine the production rate of chilled water from the geothermal resource. Geothermal drilling and development costs were estimated using NREL's GEOPHIRES 2.0. The expected lower drilling costs in this region led to an estimated cost of geothermal heat of about $4/MMBtu (1.4 cents/kWh t ). The estimated cost for the absorption chillers and TIC hardware were obtained from literature sources and project partners. Hourly data were obtained for weather, natural gas and electricity prices, and plant operating state for 2017, which served as a representative year. NREL estimated the capital cost, operating cost, and additional electricity production and revenue for different combinations of geothermal capacity, chiller capacity, and water storage-tank size. The analysis drove toward smaller geothermal and chiller systems to reduce equipment cost. A relatively low-cost water storage tank accumulated the near-continuous chilled water output for later use when TIC was most valued.

15 GEOTHERMAL ENERGY↗
DOE OSTI2024

Comparative Pore Structure and Dynamics for Bacterial Microcompartment Shell Protein Assemblies in Sheets or Shells

Bacterial microcompartments (BMCs) are protein-bound organelles found in some bacteria that encapsulate enzymes for enhanced catalytic activity. These compartments spatially sequester enzymes within semipermeable shell proteins, analogous to many membrane-bound organelles. The shell proteins assemble into multimeric tiles; hexamers, trimers, and pentamers, and these tiles self-assemble into larger assemblies with icosahedral symmetry. While icosahedral shells are the predominant form in vivo , the tiles can also form nanoscale cylinders or sheets. The individual multimeric tiles feature central pores that are key to regulating transport across the protein shell. Our primary interest is to quantify pore shape changes in response to alternative component morphologies at the nanoscale. We used molecular modeling tools to develop atomically detailed models for both planar sheets of tiles and curved structures representative of the complete shells found in vivo . Subsequently, these models were animated using classical molecular dynamics simulations. From the resulting trajectories, we analyzed the overall structural stability, water accessibility to individual residues, water residence time, and pore geometry for the hexameric and trimeric protein tiles from the Haliangium ochraceu m model BMC shell. These exhaustive analyses suggest no substantial variation in pore structure or solvent accessibility between the flat and curved shell geometries. We additionally compare our analysis to hydroxyl radical footprinting data to serve as a check against our simulation results, highlighting specific residues where water molecules are bound for a long time. Although with little variation in morphology or water interaction, we propose that the planar and capsular morphology can be used interchangeably when studying permeability through BMC pores.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Interactions between phosphate and arsenic in iron/biochar-treated groundwater: Corrosion control insights from column experiments

An increasing number of studies have reported the coexistence of arsenic (As) and phosphorus at high concentrations in groundwater, which threatens human health and increases the complexity of groundwater remediation. However, limited work has been done regarding As interception in the presence of phosphate in flowing systems. In this study, a series of experiments were conducted to evaluate the interactions between phosphate and As during As removal by iron (Fe)-based biochar (FeBC). The addition of phosphate promoted As removal by FeBC in the batch and column experiments. X-ray absorption near edge structure (XANES) analysis provided evidence of simultaneous oxidation and reduction of trivalent arsenic in the FeBC column experiment, accompanied by corrosive Fe oxidation. However, the addition of phosphate enhanced As stabilization, attributed to the As-incorporated Fe-Ca-phosphates precipitates. The involvement of phosphate decelerated the Fe corrosion and the formation of secondary minerals in the column, mediating the risk of passivation and clogging. The As retained by Fe-Ca-phosphate precipitates was more readily oxidized, resulting in higher proportions of pentavalent arsenic. In conclusion, the results of this work identify the corrosion control and sustained-release roles of phosphate in FeBC application, informing the perspective of FeBC in As-contaminated groundwater remediation and providing new insights into the interactions between phosphate and As.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Investigating Material Properties of Subsurface Rock Formations Modified by Engineering Mineral Precipitation (Final Scientific and Technical Report)

Montana State University’s (MSU) Energy Research Institute (ERI), in collaboration with the Center for Biofilm Engineering (CBE) and the Department of Civil Engineering (CE), has conducted a long‐term research program aimed at developing a novel cementing agent to address wellbore integrity and reduce the unwanted upward migration of fluids and greenhouse gases from the subsurface. The primary technology developed through this research program is known as ureolysis‐induced calcite precipitation (UICP), which harnesses bio‐chemical processes to precipitate calcium carbonate (CaCO 3 ). The same general process can also be called microbially-induced calcium carbonate precipitation (MICP) when microbes provide the process-catalyzing urease enzyme. Both terms are used in this report. Results have conclusively demonstrated that, if properly controlled, UICP can successfully seal fractures, high permeability zones, and compromised cement in the vicinity of wellbores and in nearby caprock. This technology has been successfully deployed to mitigate annular leakage in two test wells and over sixty commercial wells with a 100% success rate. This success in downhole deployment generates consideration of other subsurface applications where UICP could provide benefit to the energy sector, such as shale property modification for unconventional oil and gas recovery. The focus of this research project was to investigate fundamental material and mechanical properties of select shale cores and analyze how these properties change due to engineered mineral precipitation with the intent to control these properties to achieve a range of engineering objectives. Ultimately, the project aim was to identify valuable new areas where application of UICP might contribute to national energy security and environmental protection. The research workplan coupled UICP treatment of core samples, nuclear magnetic resonance (NMR) characterization, and mechanical strength testing at MSU with advanced X‐Ray micro-computed tomography (μCT) imaging and numerical modeling performed by collaborators at two national laboratories, the National Energy Technology Laboratory (NETL) and Lawrence Berkeley National Laboratory (LBNL). Experimental results are useful to inform geo-mechanical models which could be applied to predict mineralized rock formation behavior at field scale. Our findings suggest that NMR and μCT methods to detect and quantify biomineral formation in shale fractures are complementary and consistent with each other. Either could be used to estimate the volume of new mineral formed by UICP in shale fractures. The use of surfactants and guar gum to enhance biomineral precipitation in shale fractures merits further research. UICP can, under some conditions, increase the tensile strength of sealed shale fractures beyond that of the intact shale. These findings demonstrate that continued research in this area may be valuable to understanding and improving shale resource recovery techniques.

58 GEOSCIENCES↗
DOE OSTI2020

Advanced Simulation and Experiments of Strongly Coupled Geomechanics and Flow for Gas Hydrate Deposits: Validation and Field Application. Final Report

The objectives of the proposed research are (1) to investigate geomechanical responses induced by depressurization experimentally and numerically; (2) to enhance the current numerical simulation technology in order to simulate complex physically coupled processes by depressurization and (3) to perform in-depth numerical analyses of two selected potential production test sites: one based on the deposits observed at the Ulleung basin UBGH2-6 site; and the other based on well-characterized accumulations from the westend Prudhoe Bay. To these ends, the recipient will have the following specific objectives: 1). Information obtained from multi-scale experiments previously conducted at the recipient’s research partner (the Korean Institute of Geoscience and Mineral Resources (KIGAM)) that were designed to represent the most promising known Ulleung Basin gas hydrate deposit as drilled at site UBGH2-6 will be evaluated (Task 2). These findings will be further tested by new experimental studies at Lawrence Berkeley National Laboratory (LBNL) and Texas A&M (TAMU) (Task 3) that are designed capture complex coupled physical processes between flow and geomechanics, such as sand production, capillarity, and formation of secondary hydrates. The findings of Tasks 2 and 3 will be used to further improve numerical codes. 2) Develop (in Tasks 4 through 6) an advanced coupled geomechanics and non-isothermal flow simulator (T+MAM) to account for large deformation and strong capillarity. This new code will be validated using data from the literature, from previous work by the project team, and with the results of the proposed experimental studies. The developed simulator will be applied to both Ulleung Basin and Prudhoe Bay sites, effectively addressing complex geomechanical and petrophysical changes induced by depressurization (e.g., frost-heave, strong capillarity, cryo-suction, induced fracturing, and dynamic permeability).

02 PETROLEUM↗
DOE OSTI2020

In-Situ Stress Measurements at the Utah Frontier Observatory for Research in Geothermal Energy (FORGE) Site

A scientific injection campaign was conducted at the Utah Frontier Observatory for Research in Geothermal Energy (FORGE) site in 2017 and 2019. The testing included pump-in/shut-in, pump-in/flowback, and step rate tests. Various methods have been employed to interpret the in-situ stress from the test dataset. This study focuses on methods to interpret the minimum in-situ stress from step rate, pump-in/extended shut-in tests data obtained during the stimulation of two zones in Well 58-32. This well was drilled in low-permeability granitoid. A temperature of 199 °C was recorded at the well’s total depth of 2297 m relative to the rotary Kelly bushing (RKB). The lower zone (Zone 1) consisted of 46 m of the openhole at the toe of the well. Fractures in the upper zone (Zone 2) were stimulated between 2123–2126 m measured depths (MD) behind the casing. The closure stress gradient variation depended on the depth and the injection chronology. The closure stress was found to increase with the pumping rate/volume. This stress variation could indicate that poroelastic effects (“back stress”) and the presence of adjacent natural fractures may play an important role in the interpretation of fracture closure stress. Further, progressively increasing local total stresses may, consequently, have practical applications when moderate volumes of fluid are injected in a naturally fractured or high-temperature reservoir. The alternative techniques that use pump-in/flowback tests and temperature signatures provide a valuable perspective view of the in-situ stress measurements.

15 GEOTHERMAL ENERGY↗
DOE OSTI2022

Time-dependent THMC properties and microstructural evolution of damaged rocks in excavation damage zone

Modeling coupled thermo-hydro-mechanical-chemical (THMC) processes in host rocks near high-level nuclear waste (HLW) repositories at various time scales is an extremely challenging task. The current study integrates experimental, theoretical, and numerical methods in assessing the evolution of excavation damage zone (EDZ) over time and its implication on the long-term migration of hazardous species. Argillite and rock salt and are the focus of this study. The first part of the report presents a novel time-dependent directional microcrack damage theory for generic brittle rocks. It features detailed statistical description of the microcracks within a damaged solid, permitting a direct upscaling of microscale processes such as crack growth kinetics, crack closure/opening, sliding friction to explain the macroscopic creep, nonlinear elasticity, shear dilation, and loading-unloading hysteresis. This provides a basic platform for describing the anisotropic mechanical and transport properties of damaged rocks during excavation and subsequent THMC loadings. The model is validated and numerically implemented to Finite Element (FE) package ABAQUS through the user-defined material (UMAT) interface and have demonstrated great potential in resolving the time-dependent and anisotropic evolution of damage in the EDZ. The second part of the report presents a multi-scale experimental effort in characterizing the thermal, hydraulic, and mechanical properties of Mancos shale and Avery Island salt. For the Mancos shale, triaxial compression tests are performed at different confining pressures and temperatures to probe its thermomechanical properties relevant to HLW repositories. The obtained stress-strain data are interpreted using the proposed directional damage theory. Post-test specimens are subjected to gas permeability tests to reveal the correlation between permeability and the degree of microcracking. At microscale, temperature-controlled nanoindentation tests are performed and found a linear correlation between fracture toughness and elastic modulus from 25°C to 300°C. For Avery Island salt, we have designed and manufactured a novel relative-humidity controlled uniaxial creep device. Long-term creep tests at low stresses (< 5 MPa) are performed at different levels of relative humidity (RH). Besides confirming the much higher creep rates as one would expect through extrapolating the high-stress creep data, the results reveal that the steady-state creep rate of rock salt is strongly dependent on the ambient RH, an aspect that is often neglected in the literature. Both behaviors can be attributed to the pressure-solution creep mechanism which dominates at low stress and high RH levels. The third part of the report explores a set of numerical strategies in modeling the THMC behavior of porous geomaterials. A fully implicit, monolithic FE solution that can flexibly interface with different material models and coupling mechanisms for THMC problems is developed and verified through the ABAQUS user-defined element (UEL) interface. The scheme is used to study the THM response of a hypothetical HLW storage site with reference to an existing in-situ heater test. Strategies for integrating the UEL and the microcrack UMAT are suggested. Another numerical endeavor of this study is to implement a higher-order asymptotic homogenization method to account for the heterogeneous porous structures. The same method is then extended to perform microstructure-informed thermo-mechanical modeling of generalized continua. The above outcomes of this project provide a strong thrust towards enhancing the fundamental understanding and modeling capability of the long-term evolution of host rocks in EDZ, thus helping achieve the design goal of 1-million-year isolation of high-level nuclear wastes.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Building an EPA Class VI Permit Application

Summary To accelerate the commercialization of carbon capture and storage (CCS), the US Department of Energy (US DOE) is building on decades of characterization efforts and pilot-scale projects through their CarbonSAFE program. Administered through their National Energy Technology Laboratory, this program seeks to bring fully integrated projects to the sector that can store more than 50 million tonnes of CO2 over a 30-year period. The program, which was enacted before the enhancement of Internal Revenue Code Section 45Q, is in the capture assessment, characterization, and permitting phase. The objectives of this paper are to discuss (a) the injection permitting requirements of the CarbonSAFE projects; (b) information gathering in support of the permit; (c) the timelines of field development and permit-related activities; (d) the major technical components of the field development plan; and (e) early feedback from the regulators toward acceptance of the permit. In Mississippi, more than 30,000 acres have been characterized by six deep characterization wells, a deep groundwater well, and 92 line miles of 2D seismic as part of the CarbonSAFE Project ECO2S. During the acquisition of seismic data, all receiver lines were live, which resulted in the generation of a pseudo-3D seismic design. The incorporation of a 3D seismic survey was not included as part of this project due to logistical difficulties presented by the undulating, wooded surface terrain. A suite of openhole geophysical logs was taken from each well, allowing for a detailed interpretation of prospective storage reservoirs and confining intervals to complement the analysis carried out on the 290 ft of a whole core that was cut through the prospective confining zone and storage reservoir. The detailed geologic and reservoir data were assembled and entered into a 3D model to assess the injection capacity and the area of review (AoR). This information fed into the detailed corrective action, monitoring, testing, and postinjection site care (PISC) modeling. The results have been exceptional. The geologic assessment has revealed three primary storage targets, ranging in depth from 3,500 ft to 6,000 ft. These storage reservoirs net 1,300 ft of sandstone, with mean porosity and permeability of 29% and 3.6 darcies, respectively. Together, these reservoirs have storage capacities that may exceed 20 million tonnes per square mile, making this a gigatonne prospect. Forward modeling of the project resulted in an AoR of 16 sq miles, injecting about 8000 t/d, for 30 years, via two deep injection wells. The excellent confining characteristics of the caprock, relatively simple geologic structure, and lack of historical well drilling activity in this area provide excellent containment of the injected CO2. Based on this work, the project has proposed 20 years of PISC. To date, only two US CO2 injection permits have been granted. These projects relied on a singular capture point feeding a singular sequestration point (source to sink), and considerations have not been made to garner CO2 emissions from other industrial sources. The Kemper County Storage Complex is a first-of-its-kind storage hub concept that looks to develop an area capable of storing significant quantities of CO2 from the region. Also, this work will show how characterization efforts, geological and numerical modeling efforts, and plan development were constructed in support of permit and incentives acceptance.

Energy & Fuels↗
DOE OSTI2023

Coal-based Bricks & Blocks (CBBs): Process Development to Prototype Fabrication Coupled with Techno-Economic Analysis and Market Survey

The decline of coal use for energy production provides an abundance of local feedstock for new innovative uses and value-added products. Expanding the U.S. coal-value chain to manufacture high-value carbon products can strengthen the nation’s energy and mineral security, enhance the U.S. national defense security, increase the United States’ economic prosperity, while achieving U.S. environmental objectives. The primary project goal is a relatively light-weight composite product with superior (or comparable) compressive strength. Both virgin and, where available, post-consumer recycled thermoplastic versions are tested for each thermoplastic species. A useful attribute of thermoplastics as binders is that they can be heated to their melting point, cooled, and reheated again without significant degradation. A key advantage of thermoset CBBs is that they require only mixing and molding. CBB advantages include low cost, availability, binding ability and processability. Coal-based bricks and blocks (CBBs) weigh about 50% less than clay bricks and can be manufactured with an interlocking design to promote ease of use for the novice builder. CBB formulation is evaluated according to a design-of-experiments (DoE) approach. DoE variables are a) relative weight fractions of binder, b) relative proportions of large versus small (milled) anthracite size fractions, and c) additive percentage. Fabrication methods include hot-press molding and extrusion, the later being the most commercially viable. CBBs are tested for compressive strength, modulus of rupture (by flexure test) and water absorption per ASTM C67, with density determined by the Archimedes drainage method. Fractured interfaces are examined by SEM (Scanning Electron Microscopy) to resolve fracture dynamics and interior microstructure uniformity. Differential scanning calorimetry (DSC) is used to compare plastic transition temperatures i.e., glass and melting temperatures to contrast virgin with post-consumer recycled thermoplastics and optimize their usage. These results are used in the DoE analysis to identify the binder and relative weight percentages for optimum strength, density, and porosity. Overall, CBBs possess strength comparable to clay-based bricks but are non-permeable and hydrophobic, and hence resistant to degradation by freeze-fracturing, corrosion, and efflorescence. The strongest composites have been made with the following thermoplastic binders (in order of strength): thermoset, high-density polyethylene crosslink resin, high-density polyethylene, nylon 6/6, and polypropylene. Results from a techno-economic analysis TEA show economy of scale for CBBs by modularization and reveal the binder as the cost driver for material costs. Ideally, the incorporation of post-consumer recycled thermoplastic will decrease material acquisition costs and increase product sustainability. Notably, CBBs do not require the high temperature calcination needed to produce cement, nor do they require firing in the 1600-2400 °F range for three days using natural gas, as do clay brick equivalents. Instead, CBBs are heated to a modest <600 °F according to the melt flow index of the thermoplastic binder. Existing anthracite mines can be expanded to produce CBBs to reduce aggregate transportation costs and emissions that exist for clay bricks. TEA reflects this reduced energy cost while a comparative CO2 emission analysis quantifies the reduced environmental footprint. The market survey identifies several commercialization opportunities, dependent upon the brick classification.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2025

Improving Longitudinal Impedance of Inductive Inserts

In this article, we discuss methods for improving the longitudinal impedance of inductive inserts used for space charge compensation in the proton storage ring (PSR) at Los Alamos Neutron Science Center (LANSCE) Facility. The PSR relies on inductive inserts to counteract the capacitive impedance produced by the space charge of the proton beam, which can otherwise lead to beam debunching. Existing inductive inserts, which utilize Toshiba M4C21A ferrite, have been effective but require heating to reduce resistive components that can cause instabilities at higher frequencies. This article explores the potential of alternative ferrite materials, specifically National Magnetics C2050, to enhance the performance of these inserts by reducing the need for heating and minimizing resistive impedance. Through both analytical modeling and CST Particle Studio simulations, it is demonstrated that optimized ferrite materials and geometries can significantly improve space charge compensation while mitigating instability risks, ultimately enhancing the performance of the PSR.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

A combined experimental and modelling study of granite hydrothermal alteration

Geochemical reactions can induce significant changes of rock reservoir porosity and permeability via mineral dissolution and precipitation processes, affecting the long-term fluid behaviour within various geological systems. Here, the understanding and quantification of these reactions rely on field and experimental studies and on the predictions of reactive transport models. The present study was aimed at assessing the extent to which current geochemical models integrating available mineral dissolution/precipitation rate equations can reproduce the experimental data obtained from 4 to 17-day long hydrothermal alteration experiments of a muscovite-biotite granite and, thus, help provide an accurate description of the evolution of geothermal systems within granitic reservoirs. The experiments were conducted at a constant temperature of 180 °C and over an aqueous fluid pH range of 2 to 8.5, using both mixed-flow and static batch reactors. Modelled major element (K, Al, Si, Ca, and Mg) concentrations were generally in satisfactory agreement with the corresponding measured elemental fluxes – the differences between modelled and experimental values were generally within a factor of 5 – and the predicted identity and mass of formed secondary phases were consistent with the microscopic observations of the reacted solids. However, larger differences between measured and modelled element concentrations were observed when significant amounts of secondary phases formed, notably at pH 2 to 3, and for longer-term batch experiments. Much of this concentration difference stems from the underestimation of the amounts of Al-phases formed at acid to near-neutral pH. Although an idealized rock composition was considered, the observed mismatch between model calculations and experimental data can be attributed to inadequate mineral precipitation reaction rates and a poor description of reactive surface areas in existing geochemical modelling codes. More accurate quantification of precipitation kinetics, including nucleation and growth, and improved descriptions of the temporal change of mineral surface area would enhance the predictive capabilities of reactive transport models and benefit, particularly, the efforts aimed at increasing the sustainability of EGS reservoirs.

58 GEOSCIENCES↗
DOE OSTI2022

Effect of Initial Water Saturation on The Performance of Fracturing Fluids With and Without Polyallylamine under Simulated EGS Conditions

Objectives/Scope: StimuFrac (US Patents 9,873,828 B2 and 9,447,315 B2), a CO2-reactive polymer aqueous solution [polyallylamine (PAA) 1wt% in water] combined with CO2, can be used as a less water-intensive fracturing fluid for enhanced geothermal systems (EGS). Our previous results show that in hot dry rock (HDR), PAA/CO2 fracturing fluids outperformed other fluids such as water, CO2, and CO2/water in generating large fractures with less fluid consumed. The objective of this work is to study the effect of initial water saturation of rock on the performance of StimuFrac fluid in ½ foot cubic rock samples and under representative EGS pressure/temperature conditions using cyclic and constant flow rate injection strategies. The fracturing results are compared with results using different fracturing fluids in terms of controlling fracture propagation rates, fracture hydraulic conductivity, breakdown pressures and volumes of fluids required. Methods/Procedures/Process: In all tests, water was initially injected into the rock to increase the water saturation before the fracturing processes to simulate actual geothermal reservoir conditions. For the cyclic injection, one complete cycle consisted of (1) a PAA slug (or water slug) injection followed by (2) CO2 injection to initiate the fracture. In the second step of the first cycle, the pressure of CO2 is increased until a maximum pressure is reached (fracture is initiated at this moment), and then the injection of CO2 is allowed for another 30 seconds to propagate the fracture. Then, the two-step cycle of PAA followed by CO2 injection (up to 2-4 mL/min) was continued. For the constant flow rate injection strategies, the initial water saturation was increased by injecting water at 1000 psi and 200°C for three days. After that, an initial slug of water, CO2, or PAA was injected and then fracturing was initiated and propagated by injecting CO2 at a constant flow rate. Applications/Significance/Novelty: The results of this study suggest that water saturation, especially near the wellbore region, will significantly affect the fracturing fluid transmission into the rock porous media by changing the relative permeability of CO2 or water, thus affecting the fracture initiation and propagation. In this study, fracturing with cyclic injection or constant flow rate injection methods were performed using three different kinds of fluids systems. These fluids are water, CO2, or CO2 with PAA. Splitting the rock samples in half after fracturing reveals that the fracture propagation is significantly limited under these high water saturated conditions compared to dry initial conditions: The fractures propagate less than 1/3 length of the distance from the wellbore to rock surface, and in some cases no fracture is generated. This may be caused by the fact that leak-off is dominating the fracturing process and the injected fluid flow rate is not high enough to overcome the leak-off even under high flow rate injection conditions. Additionally, CO2 could be leaking off into the wellbore annulus and this may be making it more difficult to generate pressure gradients away from the near-wellbore region.

Jian, Guoqing↗