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At least 1,459 records · Page 81
All sourcesNASA NTRSDOE OSTI
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 OSTI2024

Sulfide precipitation characteristics of Mn, Ni, Co, and Zn in the presence of contaminant metal ions

In this study, the effects of Al 3+ and Fe 2+ on the precipitation characteristics of four valuable metals, including Mn 2+ , Ni 2+ , Co 2+ , and Zn 2+ , were investigated by conducting solution chemistry calculations, sulfide precipitation tests, and mineralogy characterizations. It was found that the ability of the valuable metals to form sulfide precipitates followed an order of Zn 2+ > Ni 2+ > Co 2+ > Mn 2+ . The sulfide precipitate of Zn 2+ was the most stable and did not re-dissolve under the acidic condition (pH 4.00 ± 0.05). In addition, the sulfide precipitation characteristics of Zn 2+ was barely affected by the contaminant metal ions. However, in the presence of Al 3+ , the precipitation recoveries of Mn 2+ , Ni 2+ , and Co 2+ were noticeably reduced due to simultaneous hydrolysis and competitive adsorption. The precipitation recoveries of Ni 2+ and Co 2+ in solutions containing individual valuable metals also reduced when Fe 2+ was present, primarily due to competitive precipitation. However, the recovery of Mn 2+ was enhanced due to the formation of ferrous sulfide precipitate, providing abundant active adsorption sites for Mn species. Here, in the solution containing all the valuable metals, Fe 2+ promoted the recovery of the valuable metals due to the higher concentration of Na 2 S and the formation of ferrous sulfide precipitate.

58 GEOSCIENCES↗
DOE OSTI2021

Damage detection in a laboratory-scale wellbore applying Time Reversal and Nonlinear Elastic Wave Spectroscopy (TR NEWS)

We report Time Reversal and Nonlinear Elastic Wave Spectroscopy (TR-NEWS) has been used to focus acoustic energy, and make measurements correlated with damage in a variety of industrial materials. Most studies using TR-NEWS have focused on relatively small objects and may have multiple acoustic sources. In Earth, within energy extraction and carbon sequestration settings, the structure and scale of wellbores makes acoustic focusing challenging, as has been demonstrated through numerical simulations. This paper explores the feasibility of applying TR NEWS for damage detection in wellbores by constructing a laboratory-scale wellbore, and using TR to focus and make dynamic linear and nonlinear elastic measurements on it. During successive cycles of localized mechanical damage induced in the sample, the hysteretic nonlinear elastic parameter α increased with progressive mechanical damage. In addition to these strain-dependent changes in α, the width and peak amplitude of the time reversal focused energy changed near the damage site.

58 GEOSCIENCES↗
DOE OSTI2021

Conversion of the LLNL/CAMS 1 MV biomedical AMS system to a semi-automated natural abundance 14C spectrometer: system optimization and performance evaluation

The Lawrence Livermore National Laboratory – Center for Accelerator Mass Spectrometry compact 1 MV biomedical accelerator mass spectrometer was repurposed and optimized for the semi-automated radiocarbon measurement of natural abundance environmental samples. Here we present results from 15 months of routine system operation and evaluate the system performance based on 30 sample wheels measured with consistent operating conditions over 7 months from August 2019 to March 2020. Additionally, the average measurement precision was 2.7 ± 0.7‰. System accuracy was assessed with measurements of 14 C-free materials, standard materials with 14 C-content spanning 0.5 to 1.5 F 14 C, and by comparison to split samples measured with the 10 MV AMS system. Overall, this system can routinely measure samples as small as 300 µgC and less than 33000 years without the need for size-specific correction protocols.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Radiocarbon analysis as a method for verifying atmospheric CO 2 uptake during carbon mineralization

Sequestration of atmospheric CO 2 is required to constrain the warming of Earth’s climate. Carbon mineralization refers to the precipitation of carbonate minerals by reaction of CO 2 and Mg- and Ca-rich rocks; if the source of the CO 2 is atmospheric and the precipitated carbonate is protected from subsequent dissolution, this process at sufficient scale may be able to reliably draw down atmospheric greenhouse gas levels. Such reactions occur passively in ultramafic settings and previous work has demonstrated that they actively draw down local CO 2 (g) concentrations. However, a method for unambiguously attributing the sequestered carbon solid product to atmospheric sources is still lacking. Here, we test if radiocarbon can be used to verify that the carbon being incorporated into carbonate minerals during carbon mineralization is atmospheric in origin. Additionally, samples from recently exposed ultramafic sites are analyzed and the results demonstrate the utility of this technique for verifying true atmospheric carbon reduction.

58 GEOSCIENCES↗
DOE OSTI2023

Arctic ice-ocean interactions in an 8-to-2 kilometer resolution global model

In the last decades, the Arctic climate has changed dramatically, with the loss of multiyear sea ice one of the clearest consequences. These changes have occurred on relatively rapid timescales, and both accurate short-term Arctic prediction (e.g., 10 days to three months) and climate projection of future Arctic scenarios present ongoing challenges. Here we describe a representation of the Arctic ocean and sea ice in a ultrahigh resolution simulation in which the horizontal grid mesh reduces from 8 km at the equator to 2 km at the poles (UH8to2) for the years 2017-2020. We find the simulation reproduces observed distributions of seasonal sea-ice thickness and concentration realistically, although concentration is biased low in the spring and summer and low biases in thickness are found in the central and eastern basins in the fall. Volume, fresh water, and heat transports through key passages are realistic, lying within observationally determined ranges. Climatological comparisons reveal that the UH8to2 Atlantic Water is shallower, warmer, and saltier than the World Ocean Atlas 2018 climatology for 2005-2017 in the eastern basin. Our analysis suggests that these biases, combined with a lack of stratification in the upper 100 m of the simulated ocean, contribute to the winter biases in modeled sea ice thickness. This relationship between biases in the sea ice and ocean points to a potential positive feedback within the model, illuminating challenges for long term model predictive power in a changing Arctic climate.

58 GEOSCIENCES↗
DOE OSTI2025

A nonhydrostatic formulation for MPAS-Ocean

The Model for Prediction Across Scales-Ocean (MPAS-Ocean) is an open-source, global ocean model and is one component of a family of climate models within the MPAS framework, including atmosphere, sea-ice, and land-ice models. Here, in this work, a new formulation for the ocean model is presented that solves the nonhydrostatic, incompressible Boussinesq equations on an unstructured, staggered, z-level grid. The introduction of this nonhydrostatic capability is necessary for the resolution of internal wave dynamics and large eddy simulations. Compared to the standard, hydrostatic formulation, a nonhydrostatic pressure solver and a vertical momentum equation are added, where the PETSc (Portable Extensible Toolkit for Scientific Computation) library is used for the inversion of a large sparse system for the nonhydrostatic pressure. Numerical results on a stratified seiche, internal solitary wave, overflow and lock-exchange test cases are presented, and the parallel efficiency of the code is evaluated using up to 1024 processors.

3D Poisson equation↗
DOE OSTI2025

A nonhydrostatic formulation for MPAS-Ocean

The Model for Prediction Across Scales-Ocean (MPAS-Ocean) is an open-source, global ocean model and is one component of a family of climate models within the MPAS framework, including atmosphere, sea-ice, and land-ice models. Here, in this work, a new formulation for the ocean model is presented that solves the nonhydrostatic, incompressible Boussinesq equations on an unstructured, staggered, z-level grid. The introduction of this nonhydrostatic capability is necessary for the resolution of internal wave dynamics and large eddy simulations. Compared to the standard, hydrostatic formulation, a nonhydrostatic pressure solver and a vertical momentum equation are added, where the PETSc (Portable Extensible Toolkit for Scientific Computation) library is used for the inversion of a large sparse system for the nonhydrostatic pressure. Numerical results on a stratified seiche, internal solitary wave, overflow and lock-exchange test cases are presented, and the parallel efficiency of the code is evaluated using up to 1024 processors.

3D Poisson equation↗
DOE OSTI2025

Evidence for metal sources, fluid-mixing processes, and S isotope recycling within the feeder zone of an Irish type Zn-Pb deposit

The origin and evolution of fluids in Irish-type Zn-Pb deposits remains debated, particularly regarding the mobility of metals such as Cu and Ni, sources of sulphur, and the role of fluid mixing and replacement. The Lisheen Zn-Pb deposit, Ireland, offers a well-defined natural laboratory to investigate these questions. While most studies have focused on the Waulsortian Limestone Formation, the primary sulphide host, less is known about mineralisation in underlying units, such as the Lisduff Oolite Member (LOM). The LOM displays enrichment in Cu and Ni and displays intense replacement textures compared to other hosts at Lisheen, making it an ideal target for studying metal mobility and sulphur recycling in carbonate-hosted systems. Through characterising and studying LOM-hosted sulphides, valuable insights into mineralisation processes, especially related to Cu-Ni metals, can be defined. This study integrates petrography, EMPA, and in situ sulphur isotope (δ 34 S) analysis to investigate sulphide paragenesis, mineral chemistry, and fluid evolution across LOM ore zones. Results reveal a multistage mineralising system involving extensive replacement of early pyrite (Py0, δ 34 S = −28.4 to −21.9 ‰) by sphalerite and galena, with zoned pyrite (Py1) enriched in As-Cu-Ni-Tl. The δ 34 S values and trace element trends indicate mixing between hydrothermal and bacteriogenic sulphur-rich fluids, with evidence for sulphur recycling during replacement. Pyrite textures and compositions capture this evolving fluid regime, with trace element enrichment linked to paragenetic stage. The steel ore region, adjacent to major fault intersections, records intense hydrothermal fluid interaction, hosting Ni- and As-rich phases such as nickeline, gersdorffite, and arsenopyrite. These findings highlight the importance of structural controls and fluid mixing in metal transport and deposition, positioning the LOM as a key stratigraphic unit for understanding ore-forming processes in Irish-type systems. These results have implications for targeting similar carbonate-hosted systems globally, especially where deeper or structurally complex ore zones remain underexplored.

58 - GEOSCIENCES↗
DOE OSTI2021

Methane generation from low-maturity coals and shale source rocks at low temperatures (80–120 °C) over 14–38 months

This study contributes long-term (14 to 38 months) experimental evidence for geocatalytically mediated methanogenesis in immature to early mature shale and coal source rocks at temperatures from 80 to 120 °C. Borosilicate glass tubes with pre-outgassed coal and shale source rock chips and water were sealed under vacuum, sterilized, heated isothermally, and finally opened in connection with a vacuum line where headspace gases methane (CH 4 ) and carbon dioxide (CO 2 ) were collected. The possibility of admitting pre-existing CH 4 from closed pores into product gases during heating experiments was evaluated by comparative ball milling of original and heated rock chips, followed by quantitation of released gases with a novel closed-circuit laser-based SARAD RTM2200 gas detector system with sub-µmol sensitivity. The yields of produced CH 4 from individual source rocks were corrected by subtracting the amounts of pre-existing CH 4 from formerly closed pores in original source rocks that had leaked during long-term heating. Different shales and coals express contrasting propensities to geocatalytically generate CH 4 and CO 2 , with CH 4 yields ranging from 0.1 to 5.5 µmol g-1 total organic carbon (TOC). CH 4 yields from two petrographically different samples of Springfield Coal with comparable thermal maturity suggest that liptinite expresses a far higher propensity for methanogenesis, but liberates less CO 2 than vitrinite. Shale from the Second White Specks Formation generated approximately 10 times more CH 4 than New Albany Shale per g of TOC, further suggesting complex controls on CH 4 generation during catalytic methanogenesis. Higher temperature can enhance the activities of catalytic methanogenesis. Here, the extrapolation of laboratory-based reaction rates to natural conditions in organic-rich buried sediments suggests that geocatalytic methanogenesis can be fast enough in some source rocks to generate economically sizeable gas plays from immature to early mature source rocks over geologic time.

03 NATURAL GAS↗
DOE OSTI2022

Gas generation and intramolecular isotope study in laboratory pyrolysis of the Springfield coal from the Illinois Basin

Position-specific (PS) isotopes of propane have been proposed as a potential geochemical tool to decipher various geological processes (e.g., thermal cracking, biodegradation, H exchange) in natural reservoirs. The limited studies have been conducted on the PS isotopes of propane from the pyrolysis gases from marine shales, and natural gases sourced from lacustrine and marine kerogens, but little is known on gases produced from the humic kerogen. Here, this study investigated the PS δ 13 C of propane in the closed-system pyrolysis of the Springfield coal, Illinois Basin, Indiana, at 310 to 470 °C (Easy %Ro: 0.76 to 3.07). The C kinetic isotope effect (KIE) of CH 4 produced in both this study and previous low-temperature pyrolysis of the same coal indicates the cleavage of C—O bonds is the main generation pathway at the early kerogen cracking stage, followed by the breakdown of alkyl groups. At the wet-gas cracking stage, C 3 H 8 production from thermally stable compounds has a significant influence on the bulk and position-specific C KIE in the pyrolysis of marine Woodford kerogen and Springfield coal. According to the PS δ 13 C of propane, the central site is likely more enriched in 13 C and the δ 13 C of the terminal site is relatively heterogeneous within the propyl group attached to different functional groups of the gas-prone kerogen. Our findings based on the pyrolysis experiments and natural gas samples indicate thermal cracking and biodegradation appear to alter the δ 13 C cen values more significantly than the δ 13 C ter values of propane. The larger magnitude of ΔC c-t in the kMC simulations (Peterson et al., 2018) compared with those from the marine shale and coal possibly implies the non-random distributions of 13 C of propane precursors in the kerogens. As a new dimension of intramolecular isotopic information of propane, the PS δ 13 C values can contribute to fingerprinting the gas origins and identifying the various geological processes (e.g., kerogen cracking, wet-gas cracking, microbial activities) in sedimentary basins.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Detrital U-Pb zircon and 40 Ar/ 39 Ar muscovite geochronology from Middle Pennsylvanian strata in the Anadarko Basin, Texas Panhandle, USA

The Late Mississippian-Permian Anadarko Basin formed in Texas and Oklahoma, USA as the result of inversion of Neoproterozic and Cambrian rift structures. Subsidence was driven by flexural loading of the Amarillo-Wichita Uplift, and this uplift may represent the easternmost element of the Ancestral Rocky Mountains system. The northwestern part of this basin has generally been interpreted to have been filled by sediment derived from the Ancestral Front Range Uplift, ~475 km to the northwest during the early stages of basin filling. We test this model using U-Pb detrital zircon and 40 Ar/ 39 Ar detrital muscovite results from three subsurface samples of the Morrow B sandstone in the northwestern part of the Anadarko Basin. We provide a new maximum depositional age of 310.9 ± 4.9 Ma that indicates the age of the Morrow B to be no older than late Atokan to early Desmoinesian Age (Moscovian), ~10 Myr younger than previously interpreted. In contrast to some previous interpretations, we propose that the most likely source for the sediment in the Morrow B is the Amarillo Uplift to the south. Detrital zircon and detrital muscovite data have age peaks at 900–1300 Ma, 1370 Ma and 1600–1800 Ma corresponding to derivation from Grenville, Granite-Rhyolite and Yavapai-Mazatzal basement provinces, respectively. A dominant detrital zircon peak at 1370 Ma suggests that Mesoproterozoic granites in the Amarillo Uplift were exposed by Middle Pennsylvanian time, and detritus eroded from the Amarillo Uplift dominated the lowstand sediment budget of the Texas Panhandle during this time; small volumes of sediment were likely sourced from the Ancestral Front Range. In conclusion, this study presents the first detrital geochronology data from the subsurface Anadarko Basin and the first detrital muscovite data from late Paleozoic southwestern Laurentia. The results presented here highlight the interpretive power of combined detrital zircon and muscovite datasets.

58 GEOSCIENCES↗
DOE OSTI2024

Strength, plasticity, and spin transition of Fe-N compounds in planetary cores

Elastic and plastic properties of Fe-light element alloys and compounds are needed to determine the compositions and dynamics of planetary cores. Elastic strength and plastic deformation mechanisms and their relationship to electronic properties of ε-Fe 7 N 3 and γ’-Fe 4 N mixture were investigated by x-ray diffraction and x-ray emission spectroscopy in the diamond anvil cell from 1 bar up to 60 GPa. X-ray diffraction shows that ε-Fe 7 N 3 reaches a pressure of 15–20 GPa before undergoing bulk plasticity at a differential stress of 4.4–10.4 GPa. ε-Fe 7 N 3 is stronger than γ’-Fe 4 N and hcp-Fe which achieve a flow stress of 1.5–3.6 GPa at 10–15 GPa and 2–3 GPa at ~20 GPa, respectively. X-ray emission spectroscopy shows that a decrease in electronic spin moment begins before and completes after plastic flow onset for each nitride, suggesting that pressure-driven changes in electronic arrangement do not trigger a plastic response although they may modify the strength and plastic behavior of Fe-N compounds. Plastic deformation in ε-Fe 7 N 3 and hcp-Fe results in a preferred orientation of (0001) normal to maximum compression, while γ’-Fe 4 N develops a maximum in the (110). Furthermore, these observations may be combined with measurements of elasticity to model seismic properties of cores of small planetary bodies such as Mars, Mercury, and the Moon.

58 GEOSCIENCES↗
DOE OSTI2020

Macro- and micro-compression testing of shales

Here, macro- and micro-geomechanical properties of shales were investigated at millimeter- and micrometer-scale using an example of the Woodford Shale. Geomechanical properties, such as uniaxial (unconfined) compressive strength and Young's modulus, were quantified at the millimeter-scale and compared with results from micro-compression testing experiments of FIB-SEM-nanofabricated micro-pillars. Size-scale and compositional/structural heterogeneity effect on elasto-plastic deformation and failure behavior of shales were investigated. Also, relationship between elemental/mineral composition and unconfined compressive strength and Young's modulus, at a micrometer-scale, was discussed. It was shown that geomechanical properties of shales are scale-dependent and are strongly affected by compositional/structural anisotropy. In particular, micro-compression testing experiments showed non-uniformly distributed compressive strength and Young's modulus within the investigated Woodford Shale rock samples. It was demonstrated, that geomechanical properties of shales, investigated at the micrometer-scale, tend to be affected by different minerals and/or pores, while the same properties, investigated at the millimeter-scale, are governed by different micro-facies (and/or micro-fractures) present within the rock. This shows that geomechanical properties of shales can be dramatically different depending on the scale of investigation and compositional/structural heterogeneity of these rocks, and therefore are not easily transferable across the scales.

58 GEOSCIENCES↗
DOE OSTI2020

Theoretical power-law relationship between permeability and formation factor

Permeability k and formation factor F are important petrophysical properties that have broad applications to reservoir engineering. Although well-log analysis has advanced reservoir characterizations, direct measurement of k is still not available. Accordingly, resistivity logs and more particularly formation factor have been frequently used to estimate k. In this study, we present a theoretical framework to relate k to F. We use power-law scaling from continuum percolation theory to develop a theoretic relationship between k and F, which is similar in form to a published power-law equation with empirical coefficients. Our result gives a physical interpretation to this empirical relationship. We also compare power-law scaling laws from percolation theory with data derived from experimental measurements and numerical simulations in the literature. Finally, using the Curve Fitting toolbox of MATLAB, the parameters of the power-law equations are determined, and the significance of the non-universal power laws are discussed.

42 ENGINEERING↗
DOE OSTI2021

Machine learning based rate optimization under geologic uncertainty

We propose a novel approach for rate optimization during a waterflood under geologic uncertainty in reservoir properties such as permeability and porosity. The traditional approach typically involves several runs of the forward simulator. This may not scale well when the optimization is to be performed at the full field-level and over multiple geologic realizations. A machine-learning (ML) based approach which is quick and scalable for rate optimization over multiple geologic realizations is proposed instead. The training data for the model is generated by running the forward simulator with randomly assigned well rates using multiple geologic realizations. A reduced order representation of the permeability heterogeneity in each of the realizations is derived using a grid connectivity transformation (GCT). This step involves finding basis functions corresponding to the different modal frequencies of the grid connectivity represented by the grid Laplacian. The projection of the heterogeneous property field along these basis functions gives the basis coefficients that form the reduced order representation. Subsequently, for each training datapoint, streamlines are traced and the minimum time of flight (TOF) representing the tracer breakthrough time at each producer is recorded. The basis coefficients and well rates are fed to a machine learning model as input and the minimum TOF at the producers forms the output of the model. This trained model can then be used along with an optimizer for computing the optimal injection rates to maximize the injection sweep efficiency. This corresponds to minimizing the variance in the minimum TOF within each well group. Different architectures of neural network are tested using 5-fold cross validation to decide the best ML model to compute the streamline time of flight. The trained model is used to perform well rate optimization over multiple realizations of geology by using a risk tolerance penalty. The optimal well rates thus obtained are compared with two cases: a) equal well rates assigned to all injectors and producers and b) well rates obtained by optimizing over a single realization without considering the uncertainty in geology. The optimal well rates are seen to offer better oil recovery and sweep efficiency than both cases.

02 PETROLEUM↗