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At least 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Scalable simulation of coupled adsorption and transport of methane in confined complex porous media with density preconditioning

The growing significance of shales and tight formations in the transition to less carbon-intensive and clean energy drives the research endeavor to understand the physics of gas flow within these systems. However, shales are composed of massively heterogeneous physical and chemical features. Most nano-sized pores connect to millimeter-scale fractures, leading to multiscale transport. These nano-scale pore throats demonstrate non-classical flow behavior, such as non-negligible slip velocities and adsorbed gas layers at the boundary. As a result, classical computational fluid dynamics models do not capture the physics. In this work, we develop a coupling scheme for the multiple-relaxation-time (MRT) lattice Boltzmann (LB) method that integrates the Peng-Robinson equation of state into a pseudo-potential interaction model to capture the physics of methane flow in irregular networks of channels that represent nano-scale porous media. We use atomistic simulations to calibrate and validate our model in slit nano-channels. We propose a preconditioning scheme to initialize the coupled transport and adsorption simulation of methane in complex porous media. The results of this implementation of LB agree with Direct Simulation Monte Carlo (DSMC) and Molecular Dynamics (MD) simulations. We then scale up the LB implementation through vectorization and indirect addressing. We parallelize it using Message Passing Interface (MPI) and OpenMP frameworks to simulate transport and adsorption in complex media with a million lattices. Additionally, we analyze the differences between coupled and transport-only simulations in two case studies and show that considering phase behavior, i.e., adsorption, can significantly change the flow behavior. This work constitutes an important step towards bridging the gap between molecular flow and system-scale behavior of complex disordered porous media.

42 ENGINEERING↗
DOE OSTI2021

Multiscale Assessment of Caprock Integrity for Geologic Carbon Storage in the Pennsylvanian Farnsworth Unit, Texas, USA

Leakage pathways through caprock lithologies for underground storage of CO2 and/or enhanced oil recovery (EOR) include intrusion into nano-pore mudstones, flow within fractures and faults, and larger-scale sedimentary heterogeneity (e.g., stacked channel deposits). To assess multiscale sealing integrity of the caprock system that overlies the Morrow B sandstone reservoir, Farnsworth Unit (FWU), Texas, USA, we combine pore-to-core observations, laboratory testing, well logging results, and noble gas analysis. A cluster analysis combining gamma ray, compressional slowness, and other logs was combined with caliper responses and triaxial rock mechanics testing to define eleven lithologic classes across the upper Morrow shale and Thirteen Finger limestone caprock units, with estimations of dynamic elastic moduli and fracture breakdown pressures (minimum horizontal stress gradients) for each class. Mercury porosimetry determinations of CO2 column heights in sealing formations yield values exceeding reservoir height. Noble gas profiles provide a “geologic time-integrated” assessment of fluid flow across the reservoir-caprock system, with Morrow B reservoir measurements consistent with decades-long EOR water-flooding, and upper Morrow shale and lower Thirteen Finger limestone values being consistent with long-term geohydrologic isolation. Together, these data suggest an excellent sealing capacity for the FWU and provide limits for injection pressure increases accompanying carbon storage activities.

58 GEOSCIENCES↗
DOE OSTI2025

Cold-Sprayed NMC622 Composite as a Cathode for Lithium-Ion Batteries

The growing demand for high-energy, low-cost lithium-ion batteries (LIBs) to power electric vehicles (EVs) necessitates advances in both materials and manufacturing processes. Conventional cathode fabrication methods, such as slurry casting and drying, are energy-intensive and pose challenges for scalability and environmental compliance. In this study, we propose cold-spray (CS) deposition as a solvent-free approach for fabricating LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622) composite cathodes. Powder blends of NMC622, poly(vinylidene fluoride) (PVDF), and carbon black (CB) are directly deposited onto stainless steel and Inconel substrates under varied gas temperatures, pressures (and thus velocities), and standoff distances. The effects of temperature on the deposit morphology, coating density, and volume are systematically investigated. Computational fluid dynamics simulations reveal that increasing the gas temperature enhances the particle velocity, narrows the spray angle, and reduces the mass concentration radially at the nozzle outlet. CS deposition results in a dense cathode microstructure, accompanied by fracture in polycrystalline NMC622 particles. X-ray diffraction analysis further verifies that there are no phase changes during the deposition process. The electrochemical performance of the cold-sprayed cathodes reveals an initial capacity of approximately 96 mAh g –1 for single-crystal NMC622 and 167 mAh g –1 for polycrystalline NMC622. While these values are modest compared to state-of-the-art slurry-cast cathodes, which typically exhibit 180–200 mAh g –1 under optimized conditions. The results demonstrate a competitive performance given the solvent-free nature of the CS process and compare favorably with tape-cast samples made from identical feedstock. In conclusion, he CS process enables the formation of dense, binder-integrated cathode coatings without the need for solvent processing, offering a promising pathway for scalable, energy-efficient dry electrode manufacturing of next-generation LIBs.

Batteries↗
DOE OSTI2024

Aromatic amino acid metabolism and active transport regulation are implicated in microbial persistence in fractured shale reservoirs

Abstract Hydraulic fracturing has unlocked vast amounts of hydrocarbons trapped within unconventional shale formations. This large-scale engineering approach inadvertently introduces microorganisms into the hydrocarbon reservoir, allowing them to inhabit a new physical space and thrive in the unique biogeochemical resources present in the environment. Advancing our fundamental understanding of microbial growth and physiology in this extreme subsurface environment is critical to improving biofouling control efficacy and maximizing opportunities for beneficial natural resource exploitation. Here, we used metaproteomics and exometabolomics to investigate the biochemical mechanisms underpinning the adaptation of model bacterium Halanaerobium congolense WG10 and mixed microbial consortia enriched from shale-produced fluids to hypersalinity and very low reservoir flow rates (metabolic stress). We also queried the metabolic foundation for biofilm formation in this system, a major impediment to subsurface energy exploration. For the first time, we report that H. congolense WG10 accumulates tyrosine for osmoprotection, an indication of the flexible robustness of stress tolerance that enables its long-term persistence in fractured shale environments. We also identified aromatic amino acid synthesis and cell wall maintenance as critical to biofilm formation. Finally, regulation of transmembrane transport is key to metabolic stress adaptation in shale bacteria under very low well flow rates. These results provide unique insights that enable better management of hydraulically fractured shale systems, for more efficient and sustainable energy extraction.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2021

Multiscale Characterization of the Caney Shale — An Emerging Play in Oklahoma

From a hydrocarbon perspective, the Caney Shale has historically been evaluated as a sealing unit, which resulted in limited studies characterizing the rock properties of the Caney Shale and its suitability for hydraulic fracturing. The objective of our research is to help bridge the current knowledge gap through the integration of multiscale laboratory techniques and to characterize the macro- and microscale rock properties of the Caney Shale. We employed an integrated approach for the characterization of the Caney using 200 ft (61 m) of Caney core from a target well in southern Oklahoma. Core observation and petrographic analysis of thin sections were combined to characterize the general rock types and associated fabrics and textures. Mineralogical composition, pore system architecture, and rock fabric were analyzed using x-ray diffraction (XRD), scanning electron microscopy/energy dispersive x-ray spectroscopy (SEM/EDS), and focused ion beam (FIB)-SEM. In addition, rebound hardness and indentation testing were carried out to determine rock hardness (brittleness) and elasticity, respectively. With the integrated multiscale characterization, three mixed carbonate-siliciclastic rock types were identified — mudstone, calcareous siltstone, and silty carbonate — likely representing a spectrum of deposition from low to relatively high energy environments in the distal portions of a ramp system. Silty carbonate contains mostly interparticle pores. The calcareous siltstones and silty mudstones contain a combination of organic matter pores and interparticle pores. Each of the rock types shows unique mineralogical compositions based on XRD. The mudstone lithofacies has the highest clay content and the least carbonate content. Calcareous siltstones show moderate carbonate and clay content. Silty carbonate indicates the highest carbonate content with the least clay content. In an order of mudstone, calcareous siltstone, and silty carbonate, rebound hardness and Young’s modulus show an increasing trend. As a result of rock-fluid interactions, there are potential scaling reactions during completion and production that could ultimately affect permeability and production rates. Overall, the proposed multiscale integration approach is critical for the geologic characterization of most rocks. However, in shale reservoirs dominated by microporosity and microstructure where engineered fractures are expected to provide permeability at a reservoir scale, successful integration is essential. An optimized, integrated geological characterization of the Caney Shale that is well aligned with the engineering designs in drilling, completing, and producing wellbores will ultimately lead to optimal production while providing safe and environmentally responsible operations.

Wang, Yulun↗
DOE OSTI2024

Geochemical and Microstructural Characterization of Shale Rock: A Workflow for Site Evaluation for Energy–Fluids Storage

Shales are a central component of petroleum systems, as source, seal, and unconventional reservoir rocks. Unlike traditional unconventional shale, a newly emerging Caney Shale play is regarded as an unconventional of unconventional shales (UUS), due to its high content of fine-grained materials, lower reservoir porosity, dominance of nanopores, and a scarcity of visible natural fractures. Other developed unconventional shales such as the Woodford and Barnett have larger average pore size, higher porosity, and extensive natural fractures at core scale that contribute to reservoir quality. In this work, the Caney Shale was cored in entirety to characterize its interbedded ductile and reservoir intervals and establish criteria for their recognition. Representative ductile and reservoir intervals known as D2 and R3, respectively, were selected for detailed analysis including variations in elemental composition, mineralogy, facies, and the presence of natural fractures at well and core scales using X-ray fluorescence, X-ray diffraction, and thin section and core description. Characteristics of microstructure and microgeochemistry at nano- and microscales are compared using field emission scanning electron microscopy with energy dispersive spectroscopy and lowpressure nitrogen adsorption isotherms with fractal dimension analysis. The ductile (detrital clay-rich) member D2 is characterized by higher concentrations of Ti and Al and lower Si, while the reservoir R3 (possibly biogenic silica-accumulated) is characterized by lower Ti and Al and higher Si. Eight mixed carbonate–siliciclastic facies are recognized, and R3 shows a higher heterogeneity of facies stacking and average fracture abundance than D2. Further, R3 shows a more microscopically heterogeneous fabric/texture of matrix and a higher microporosity than D2 that has a higher pore surface heterogeneity. A fundamental understanding of the compositional and microstructural characteristics of UUS and further ductile/reservoir intervals will allow for a better assessment of reservoir quality, more effective production of hydrocarbons, and optimized selection of safe caprocks in carbon sequestration and subsurface hydrogen storage.

58 GEOSCIENCES↗
DOE OSTI2020

An energy-based coupling approach to nonlocal interface problems

Nonlocal models provide accurate representations of physical phenomena ranging from fracture mechanics to complex subsurface flows, where traditional partial differential equations fail to capture effects caused by long-range forces at the microscale and mesoscale. However, the application of nonlocal models to problems involving interfaces such as multimaterial simulations and fluid-structure interaction, is hampered by the lack of a rigorous nonlocal interface theory needed to support numerical developments. In this paper, we use an energy-based approach to develop a mathematically rigorous nonlocal interface theory which provides a physically consistent extension of the classical perfect interface PDE formulation. Numerical examples validate the proposed framework and demonstrate the scope of our theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

A Dual Approach in Direct Ink Writing of Thermally Cured Shape Memory Rubber Toughened Epoxy

Bisphenol A-based epoxies are much used in a wide range of composite and coating applications due to their excellent thermomechanical properties. However, their 3D printability remains a challenge with most reported materials suffering from high brittleness and low toughness. In this work, we have described especially modified epoxy resins that enable 3D printing with both fast and slow curing rates. These materials exhibit greatly enhanced toughness, tunable thermomechanical properties, and excellent shape memory behavior. Two different printing systems, including a two-part static mixing printhead and a single extrusion printhead, were developed for fast- and slow-curing epoxies, respectively. The rheology of inks in both systems has been modified into printable thixotropic fluids with the aid of silica nanoparticles and other additives. Epoxide-functionalized telechelic polybutadiene was added into the resins, which are then introduced inside the epoxy network after cross-linking. The addition of polybutadiene rubber significantly improves the toughness (over 135%), fracture strain (over 200%), and shape memory behavior. By adding different amounts of the rubber telechelic, thermomechanical properties, including modulus, elongation, and Tg of epoxy, can be well controlled in a wide range to satisfy different applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Stratigraphy‐Induced Localization of Microseismicity During CO 2 Injection in Illinois Basin

Abstract Subsurface fluid injection stimulates complex hydromechanical interaction, necessitating the integration of geomechanical data across spatial and temporal scales to consider the sophisticated behavior. Induced seismic response is usually associated with the complex reservoir architecture and pre‐existing features that are three‐dimensional, such as local stratigraphy, fractures, faults, and other discontinuities. This study encompasses laboratory characterization of the coupled hydromechanical response of cores extracted from rock formations in Illinois Basin: reservoir ‐ Mt. Simon sandstone, basal seal ‐ Argenta sandstone, and crystalline basement ‐ Precambrian rhyolite. High‐resolution numerical modeling allows considering the three‐dimensional complexity of the Illinois Basin Decatur Project with spatial resolution comparable to one of the active seismic surveys. A detailed reconstruction of the evolving state of stress in formations lacking direct stress measurements is achieved by numerical modeling that integrated laboratory‐derived hydromechanical properties, a porosity‐permeability relationship, active seismic data, and an inverted three‐dimensional porosity distribution. It appears that the microseismic clusters, mainly observed in the crystalline basement during the injection, are linked to zones experiencing more critically stressed conditions prior to injection. These zones have a potential for reactivation during the injection and are attributed to the specific local stratigraphy of the injection site, as well as transfer of triggering perturbations during the injection.

Bondarenko, N. [University of Illinois Urbana‐Cham↗
DOE OSTI2020

An energy-based coupling approach to nonlocal interface problems.

Nonlocal models provide accurate representations of physical phenomena ranging from fracture mechanics to complex subsurface flows, settings in which traditional partial differential equation models fail to capture effects caused by long-range forces at the microscale and mesoscale. However, the application of nonlocal models to problems involving interfaces, such as multimaterial simulations and fluid-structure interaction, is hampered by the lack of a physically consistent interface theory which is needed to support numerical developments and, among other features, reduces to classical models in the limit as the extent of nonlocal interactions vanish. In this paper, we use an energy-based approach to develop a formulation of a nonlocal interface problem which provides a physically consistent extension of the classical perfect interface formulation for partial differential equations. Numerical examples in one and two dimensions validate the proposed framework and demonstrate the scope of our theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

The Alamo multiphysics solver for phase field simulations with strong-form mechanics and block structured adaptive mesh refinement

Alamo is a high-performance scientific code that uses block-structured adaptive mesh refinement to solve such problems as: the ignition and burn of solid rocket propellant, plasticity, damage and fracture in materials undergoing loading, and the interaction of compressible flow with eroding solid materials. Alamo is powered by AMReX, and provides a set of unique methods, models, and algorithms that enable it to solve solid-mechanics problems (coupled to other physical behavior such as fluid flow or thermal diffusion) using the power of block-structured adaptive mesh refinement.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A mineral precipitation model based on the volume of fluid method

A novel volume of fluid method is presented for mineral precipitation coupled with fluid flow and reactive transport. The approach describes the fluid-solid interface as a smooth transitional region, which is designed to provide the same precipitation rate and viscous drag force as a sharp interface. Specifically, the governing equation of mineral precipitation is discretized by an upwind scheme, and a rigorous effective viscosity model is derived around the interface. The model is validated against analytical solutions for mineral precipitation in channel and ring-shaped structures. It also compares well with interface tracking simulations of advection-diffusion-reaction problems. Here, the methodology is finally employed to model mineral precipitation in fracture networks, which is challenging due to the low porosity and complex geometry. Compared to other approaches, the proposed model has a concise algorithm and contains no free parameters. In the modeling, only the pore space requires meshing, which improves the computational effciency especially for low-porosity media.

58 GEOSCIENCES↗
DOE OSTI2020

Potential Formation Damage: An Integrated Reservoir Characterization Study of the Naturally Fractured Carbonate Middle Duperow Formation at the Kevin Dome, Montana

In this study, we integrate geologic and engineering data of a naturally fractured carbonate reservoir at the Kevin Dome, Montana. Well test data are correlated with core description, geochemical and lithology study to determine the flow behavior and communication within the injection test interval and to the surrounding area. Based on a dual-continuum geologic model, numerical brine injection simulations are carried out to validate the interpretation results from our well test analytical models and forecast the probability of CO 2 injection success using current reservoir properties. As a result, our well test analytical models as well as lithology/core description suggest that fluid flow may be mainly restricted to the injection interval and the assumption of radial (horizontal) flow may be appropriate. The well test models also indicate that there is potentially formation damage with a positive skin factor although prior to brine injection well tests, well stimulation through acid treatment was performed. Our numerical simulation results appear to confirm this formation damage by showing additional pressure buildup in the injection data during later test periods. To explain this, acid may have dissolved dolomite then dolomite or calcite may have been formed again further into the matrix/fracture system. Another possible explanation is mechanical clogging of the fractures due to acid dissolving dolomite and dislodging fine grains. Our work also predicts that if no additional well stimulation is performed, the project will have a lower probability of successfully injecting 1 million tons of CO 2 into the Middle Duperow formation over 4 years.

42 ENGINEERING↗
DOE OSTI2021

Reactive Flows in Porous Media: Challenges in Theoretical and Numerical Methods

We review theoretical and computational research, primarily from the past 10 years, addressing the flow of reactive fluids in porous media. The focus is on systems where chemical reactions at the solid–fluid interface cause dissolution of the surrounding porous matrix, creating nonlinear feedback mechanisms that can often lead to greatly enhanced permeability. Here, we discuss insights into the evolution of geological forms that can be inferred from these feedback mechanisms, as well as some geotechnical applications such as enhanced oil recovery, hydraulic fracturing, and carbon sequestration. Until recently, most practical applications of reactive transport have been based on Darcy-scale modeling, where averaged equations for the flow and reactant transport are solved. We summarize the successes and limitations of volume averaging, which leads to Darcy-scale equations, as an introduction to pore-scale modeling. Pore-scale modeling is computationally intensive but offers new insights as well as tests of averaging theories and pore-network models. We include recent research devoted to validation of pore-scale simulations, particularly the use of visual observations from microfluidic experiments.

wormhole formation↗
DOE OSTI2021

Wellbore Leakage Mitigation Using Advanced Mineral Precipitation Strategies (Final Scientific/Technical Report)

This research project, entitled Wellbore Leakage Mitigation using Advanced Mineral Precipitation Strategies, was directed toward advancing mineral precipitation technologies to seal wellbore leaks and other potential carbon dioxide (CO 2 ) leakage pathways, including compromised wellbore cement and fracture networks of varying geometries throughout the wellbore and surrounding formation. The advanced mineral sealing techniques were evaluated in the laboratory and the field to expand the range of temperature, pressure, and chemical conditions where mineral precipitation could be used. Rates of enzymatically or thermally induced calcium carbonate precipitation (EICP, TICP) were determined as well as rates of enzyme inactivation at elevated temperatures (>60 °C). Immobilization was shown to enhance the thermal stability of urease enzyme and provide protection from inhibition in low pH conditions. Mineral seals promoted by EICP and TICP were used to seal fractured composite (cement/sandstone) and shale cores in high pressure reactors operated at temperatures greater than 55 °C and 130 °C, respectively. A computational model was updated to model processes of EICP and TICP. The work resulted in a successful field test, which showed that EICP in the presence of low pH fluids (CO 2 -impacted brine) could promote permeability reduction and seal a channel in the near-wellbore environment.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Tunnel Event 2020 (G-tunnel event modeling) [Slides]

HOSS (Hybrid Optimization Software Suite) is a fracture mechanics code that properly conserves mass, energy and momentum. HOSS-FSIS was utilized to conduct exploratory calculations (2D plane strain/3D) for the G-tunnel event 2020 where a pseudo NPE 1.1kt HE equivalent source is used. The purpose of this analysis is to determine if the HOSS fluid-solid coupling solver can capture relevant down-tunnel phenomenology.

42 ENGINEERING↗
DOE OSTI2021

Performance Evaluation of Engineered Geothermal Systems Using Discrete Fracture Network Simulations

Electrical power production from geothermal energy has a solid record of success for permeable reservoirs such as The Geysers in northern California and geothermal systems in Iceland and New Zealand, among other places. Such permeable reservoirs, however, represent only a small fraction of the available heat energy in the earth’s shallow crust. Most of the available energy resides in rocks with insufficient permeability and storage to produce commercial volumes of heated fluids.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

Methane Plume Emissions Associated With Puget Sound Faults in the Cascadia Forearc

Methane gas plumes have been discovered to issue from the seafloor in the Puget Sound estuary. These gas emission sites are co-located over traces of three major fault zones that fracture the entire forearc crust of the Cascadia Subduction Zone. Multibeam and single-beam sonar data from cruises conducted in 2011, 2018, 2019, 2020 and 2021 identified the acoustic signature of over 330 bubble plumes. Dissolved gas from the plumes combines to elevate seawater methane concentrations of the entire Puget Sound estuary. Fluid samples from adjacent terrestrial hot springs and deep-water wells surrounding the estuary contain a helium-3 isotope signature, indicating a deep fluid source located near the underlying Cascadia Subduction Zone. However, Puget Sound seawater emission sites lack chemical isotope signatures and elevated thermal anomalies expected from association with a deep plate-interface reservoir. The existence of vigorous marine methane plumes located in areas of thin sediment cover and above the traces of deeply-penetrating forearc fault zones – but still presenting no thermal or chemical anomalies that are found in many other similar forearc environments and remain an unresolved paradox.

54 ENVIRONMENTAL SCIENCES↗