Characterizing turbulence at a forest edge: A vorticity budget analysis around a canopy
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58 GEOSCIENCES↗
SEARCH · Engineering Papers
Results for “geosciences”
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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Deep convolutional autoencoders as generic feature extractors in seismological applications
The idea of using a deep autoencoder to encode seismic waveform features and then use them in different seismological applications is appealing. In this paper, we designed tests to evaluate this idea of using autoencoders as feature extractors for different seismological applications, such as event discrimination (i.e., earthquake vs. noise waveforms, earthquake vs. explosion waveforms), and phase picking. These tests involve training an autoencoder, either undercomplete or overcomplete, on a large amount of earthquake waveforms, and then using the trained encoder as a feature extractor with subsequent application layers (either a fully connected layer, or a convolutional layer plus a fully connected layer) to make the decision. By comparing the performance of these newly designed models against the baseline models trained from scratch, we conclude that the autoencoder feature extractor approach may only outperform the baseline under certain conditions, such as when the target problems require features that are similar to the autoencoder encoded features, when a relatively small amount of training data is available, and when certain model structures and training strategies are utilized. The model structure that works best in all these tests is an overcomplete autoencoder with a convolutional layer and a fully connected layer to make the estimation.
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A staged deep learning approach to spatial refinement in 3D temporal atmospheric transport
High-resolution spatiotemporal simulations effectively capture the complexities of atmospheric plume dispersion in complex terrain. However, their high computational cost makes them impractical for applications requiring rapid responses or iterative processes, such as optimization, uncertainty quantification, or inverse modeling. To address this challenge, this work introduces the Dual-Stage Temporal Three-dimensional UNet Super-resolution (DST3D-UNet-SR) model, a highly efficient deep learning model for plume dispersion predictions. DST3D-UNet-SR is composed of two sequential modules: the temporal module (TM), which predicts the transient evolution of a plume in complex terrain from low-resolution temporal data, and the spatial refinement module (SRM), which subsequently enhances the spatial resolution of the TM predictions. We train DST3D-UNet-SR using a comprehensive dataset derived from high-resolution large eddy simulations (LES) of plume transport. We propose the DST3D-UNet-SR model to significantly accelerate LES of three-dimensional (3D) plume dispersion by three orders of magnitude. Additionally, the model demonstrates the ability to dynamically adapt to evolving conditions through the incorporation of new observational data, substantially improving prediction accuracy in high-concentration regions near the source.
3D temporal sequences↗
Optimal carbon storage reservoir management through deep reinforcement learning
Model-based optimization plays a central role in energy system design and management. The complexity and high-dimensionality of many process-level models, especially those used for geosystem energy exploration and utilization, often lead to formidable computational costs when the dimension of decision space is also large. This work adopts elements of recently advanced deep learning techniques to solve a sequential decision-making problem in applied geosystem management. Specifically, a deep reinforcement learning framework was formed for optimal multiperiod planning, in which a deep Q-learning network (DQN) agent was trained to maximize rewards by learning from high-dimensional inputs and from exploitation of its past experiences. To expedite computation, deep multitask learning was used to approximate high-dimensional, multistate transition functions. Both DQN and deep multitask learning are pattern based. As a demonstration, the framework was applied to optimal carbon sequestration reservoir planning using two different types of management strategies: monitoring only and brine extraction. Both strategies are designed to mitigate potential risks due to pressure buildup. Results show that the DQN agent can identify the optimal policies to maximize the reward for given risk and cost constraints. Finally, experiments also show that knowledge the agent gained from interacting with one environment is largely preserved when deploying the same agent in other similar environments.
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A multi-dimensional parametric study of variability in multi-phase flow dynamics during geologic CO 2 sequestration accelerated with machine learning
Successful geologic CO 2 storage projects depend on numerical simulations to predict reservoir performance during site selection, injection verification, and post-injection monitoring phases of the project. These numerical simulations solve non-linear sets of coupled partial differential equations, while accounting for multi-phase fluid dynamics on the basis of constitutive equations that are embedded into the solution scheme. As a consequence, individual simulations often require tens to hundreds of hours to complete on high-performance computing clusters. Moreover, laboratory experiments reveal that parametric functions for capillary pressure and relative permeability exhibit substantial variability, even within the same rock type. This combination of computational expense and wide-ranging parametric variability means that there remains substantial uncertainty in the behavior of multi-phase CO 2 -water systems, particularly in the context of feedbacks between relative permeability and capillary pressure. To bridge this knowledge gap, here we develop a novel workflow that utilizes physics-based numerical simulation to train an artificial neural network (ANN) emulator for interrogating the multivariate parameter space that governs both capillary pressure and relative permeability. With this approach, the ANN is trained to emulate both fluid pressure distribution and CO 2 saturation, which are then interrogated quantitatively to generate parametric response surface mappings with high-fidelity resolution. Results from this study initially show that capillary entry pressure is the dominant control on both CO 2 plume geometry and fluid pressure propagation when considering the combined effects of capillary pressure and relative permeability, particularly when phase interference is low and residual CO 2 saturation is high. Moreover, the ANN emulator provides tremendous computational speed-up by computing 2691 individual simulations in several minutes; whereas, the same simulation ensemble would have required ~3 years of simulation time using only physics-based simulation methods (25,000 times speed up).
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Experimental evaluation of the role of redox during glauconite-CO 2 -brine interactions
Greensands formations are globally abundant sedimentary rocks rich in Fe clays (typically glauconite) that commonly contain natural hydrocarbon accumulations and may be important reservoirs for geologic storage of anthropogenic CO 2 . Diagenesis in greensands is commonly accompanied by the conversion of primary glauconite to siderite (FeCO 3 ), a process that could be exploited for the permanent trapping of CO 2 . Importantly, siderite formation after glauconite requires that the mostly oxidized Fe in the primary Fe clay minerals is reduced during diagenetic interactions. Here, we explore the effect of solution redox state on the stability of glauconite in sandstones with implications for the diagenetic and/or engineered formation of siderite. We performed two flow-through experiments on intact, glauconite-rich sandstone cores at 150 °C and 150 bar. Both experiments employed a 1 mol NaCl/kg, 0.1 mol NaHCO 3 /kg solution charged with ~0.58 mol CO 2 /kg solution, but the redox state of the injected fluid was manipulated between experiments in order to compare glauconite reactivity and siderite saturation state at oxidizing and reducing end-member conditions. After reaction with the oxidizing (O 2 (aq) ≈ 6 μmol/kg) fluid, chemical and Mӧssbauer spectroscopic analyses indicate the production of Fe(III)-oxy/hydroxide minerals from glauconite, whereas, in the reducing (H 2 (aq) ≈ 5–40 mmol/kg) experiment, thermodynamic calculations and coupled chemical, mineralogical, and Mӧssbauer analyses suggest glauconite dissolution and precipitation of an Fe(II) mineral, likely siderite, and minor magnetite formation. These experimental results, along with thermodynamic calculations, confirm that solution redox state is the master variable dictating siderite formation in greensands.
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Reduction and potential remediation of U(VI) by dithionite at an in-situ recovery mine: Insights gained by δ 238 U
In-situ recovery is a common method of mining U ore. This technique involves injecting an oxidant to oxidize U deposited as insoluble U(IV) to soluble U(VI) and a complexing agent to form mobile U(VI) compounds, which are extracted from mining waters. Unfortunately, U concentrations often remain elevated in groundwater following this mining process. One promising technique to decrease U concentrations to acceptable levels is in-situ remediation where a reductant is injected into the mined area to reduce U(VI) back to insoluble U(IV). Here we assess the efficacy of the chemical reductant dithionite to reduce U(VI) concentrations. While dithionite can reduce environmental Cr(VI), dithionite has previously never been tested for reducing U(VI) in the environment. We determine how effectively dithionite remediates U(VI) contamination using aqueous U concentration and δ 238 U data. U concentrations and δ 238 U decrease during the dithionite experiment, demonstrating that dithionite induces U(VI) reduction. As dithionite is removed by pumping, U concentrations and δ 238 U increase towards background levels, but U(VI) reduction continues for an extended period. In conclusion, measurements demonstrate that re-oxidation and remobilization does not appear to occur due to the reducing condition of groundwater.
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Improved sampling technique to collect natural gas from hydrate-bearing pressure cores
High quality gas compositional data are an important factor in interpreting the genetic source of natural gas hosted in hydrate-bearing sediments and other subsurface systems. In order to accurately characterize the composition of gas samples degassed from hydrate-bearing pressure cores, one must use a reproducible sampling technique that minimizes artifacts of the sampling process. Herein, we review sediment core degassing techniques and compare data obtained from a commonly used degassing approach, which we term the standard quantitative degassing (SQD) technique, to our newly developed modified quantitative degassing (MQD) method designed to minimize atmospheric contamination and gas-water interactions. The SQD method allows sample gas to interact with water in a bubbling chamber, which we hypothesize could alter the gas composition following mixing with water or dissolved gases in the bubbling chamber. Whereas, the MQD method allows for the collection of sample gas prior to the bubbling chamber. To compare the SQD and MQD methods, we performed a side-by-side comparison of noble (He, Ne, Ar, Kr, and Xe), major (H 2 , N 2 , O 2 , and CO 2 ), and hydrocarbon (CH 4 , C 2 H 6 , C 3 H 8 , i-C 4 H 10 , C 4 H 10 , i-C 5 H 12 , C 5 H 12 ) gas concentrations and select isotopic compositions obtained using both sample collection techniques. Gas samples were collected from hydrate-bearing pressure cores recovered and maintained under hydrate stable conditions from the northern Gulf of Mexico during the UT-GOM 2 -1 Expedition. The MQD method displayed significantly lower concentrations of atmospheric gases, higher proportions of hydrocarbon gases, lower ratios of C 1 /C 2 + , and heavier stable carbon and hydrogen isotopes of methane than the SQD method. These results demonstrate that the MQD method reduced air contamination and minimized alteration of the hydrocarbon gases. Finally, we conclude this method may be important for future work that seeks to determine the composition of natural gas from pressure cores using quantitative degassing experiments, especially those seeking to measure major (e.g., N 2 ) and noble gases.
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The impact of mineral reactive surface area variation on simulated mineral reactions and reaction rates
Reactive transport modeling is an essential tool to simulate complex geochemical reactions in porous media that can impact formation properties including porosity and permeability. However, simulating these reactions is challenging due to uncertainties in model parameters, particularly mineral surface areas. Imaging has emerged as a powerful means of estimating model parameters including porosity and mineral abundance, accessibility and accessible surface area. However, these parameters, particularly mineral accessible surface area, vary with image resolution. This work aims to enhance understanding of the impact of image resolution and other means of estimating mineral reactive surface area on simulated mineral reactions and reaction rates. Mineral surface areas calculated from images with resolutions of 0.34 μm and 5.71 μm were used to simulate mineral reactions in the context of geologic CO 2 sequestration in the Paluxy formation at the continuum scale. Additional simulations were carried out using BET surface areas collected from the literature and geometric surface areas. Simulations were run for 7300 days and mineral volume fractions and effluent ion concentrations tracked and compared. Variations in mineral surface areas measured from images are within 1 order of magnitude and yield similar simulation results, indicating the impact of image resolution on simulated reactions and reaction rates is minimum for the resolutions and sample considered. In comparison, surface areas obtained from BET and geometric approaches are 1–4 orders of magnitude higher than image-obtained surface areas and result in greater simulated reaction rates and extents. Minerals with high reaction rates (calcite and siderite) are most impacted by surface area values at short times where simulated mineral volume fractions at longer times agree relatively well, even for simulations with several orders of magnitude variation in surface area. Phases with lower reaction rates, such as K-feldspar and muscovite, are predominantly impacted over longer times where variations in surface areas impact reaction extents and porosity evolution. Overall, variations in surface areas due to image resolution are small and result in little variation in simulated reactions and reaction rates while there are significant variations in simulation results when other surface area estimates are used. These variations, however, depend on the reactivity of the mineral phase where surface areas of fast-reacting phases largely impact simulations at short (hours to days) timescales and surface areas of slower-reactive phases impact longer term simulations (years).
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Colloidal metal transport in soils developing on historic coal mine spoil
Chemical weathering of pyrite via oxidative dissolution is well-known for generating Fe(III)-bearing colloids at acid mine drainage (AMD) sites; however, the potential for physical weathering of pyrite-bearing materials and subsequent release and transport of colloidal pyrite and associated trace metals has not been studied. Here, we monitored the colloidal metal transport in soil developing on abandoned coal mine spoil with a history of AMD generation to systematically study the contribution of colloids to base and trace metal transport and determine the elemental and mineralogical composition of colloids. Additionally, we collected soil pore water using lysimeters with a pore size of approximately 1.3 μm and centrifugation was used to separate the colloids from aqueous fractions. Metal concentrations of Na, Ca, Mg, K, Si, Al, Mn, Fe, Cu, and Zn were analyzed. Our results show only 14% of the total Al and Cu were present in colloidal fractions whereas 23%, 43%, and 54% of Fe, Mn, and Zn were transported in the colloidal phase, respectively. In contrast, all base metals were primarily present in the aqueous concentration with a small fraction (<10%) present in the colloidal phase. The colloidal fractions of the base metals were inferred to be associated with the concentration of clay colloids. The release of colloids exhibited possible sensitivity toward weather conditions such as alternating high temperatures and rainfall during summer (May–July) compared to fall (August–November). The morphology, elemental, and mineral composition of colloids were determined by a scanning electron microscopy equipped with energy dispersive spectroscopy (SEM-EDS) and X-ray diffraction (XRD). Colloids were dominated by phyllosilicates (biotite, muscovite, and kaolinite) with minor quartz and feldspars. Other minerals phases identified in colloidal fractions were hematite, goethite, arsenopyrite, and chalcopyrite. Colloids consisting of Fe, S, and O with structures resembling framboidal pyrite were identified, which is consistent with the non-silicates minerals identified by XRD. Our study suggests that the physical weathering of pyrite in the mine spoil can generate colloidal pyrite, which is mobilized and transported by soil pore water. Our results also indicate that these pyritic colloids are associated with toxic trace metals including Cu, Mn, and Zn. Colloid mobilization is also impacted by changes in temperature and precipitation, where clay mobilization afer rain events is favored. Further, sudden spikes in aqueous and/or colloidal concentrations may be the result of local heterogeneity within soils developing on mine spoil, indicating that further field-based work is necessary to better characterize pore-scale processes that control aqueous and colloid transport at similar sites to have a better understanding of potential contaminant transport from mine spoil systems.
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Aspects of rare earth element enrichment in Allegheny Plateau coals, Pennsylvania, USA
The Allegheny Plateau in western Pennsylvania, western Maryland, and northern West Virginia has relatively flat-lying strata with southwest-northeast-trending anticlines cored by splay faults originating from the thrust faults and southeast-northwest-trending lineaments. The lineaments define both the structural relief of the anticlines and the coal rank. Coal rank in the Pennsylvanian Allegheny Group coals is medium volatile bituminous in the region of less-prominent structural relief and low volatile bituminous in the region with more pronounced anticlines. Zinc and Cl exhibit high values in coals in the vicinity of the lineaments. Although coal rank was not a parameter in the Principal components analysis, the highest rank coals clustered together in a quadrant defined, in part, by the Zn concentration. Zinc was selected as a parameter due to its possible link with hydrothermal mineralization and Zr and TiO 2 /Al 2 O 3 were selected based on their presumed association with detrital mineral influences. The highest rare earths + Y values in benches of the Lower Kittanning coal were found at sites close to the lineaments. Negative or negligible Ce anomalies (δCe) and strongly positive Gd anomalies (δGd) suggest marine or hydrothermal influences and negative Eu anomalies (δEu) along with high TiO 2 /Al 2 O 3 values suggest a terrestrial input. In conclusion, the plots of δCe vs. δGd and δCe vs. δEu show that the low volatile bituminous coals are segregated from the other coals, suggesting that the factors that influenced coal rank also influenced the distribution of the rare earth elements.
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A reactive transport modeling perspective on the dynamics of interface-coupled dissolution-precipitation
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58 GEOSCIENCES↗
Isotopic discrimination of natural and anthropogenic perchlorate sources in groundwater in a semi-arid region of northeastern Oregon (USA)
Perchlorate (ClO 4 - ) has synthetic and natural sources. Synthetic ClO 4 - is released to the environment from its use as an oxidant in military and aerospace applications, and from its presence in a variety of common commercial products, such as safety flares, chlorate herbicides, and fireworks. Natural sources of ClO 4 - in the environment include imported nitrate fertilizers derived from salt deposits in the Atacama Desert of Chile and indigenous natural ClO 4 - that accumulates in unsaturated soils and groundwaters in other arid and semi-arid environments, largely from atmospheric deposition. The stable isotope ratios of chlorine ( 37 Cl/ 35 Cl) and oxygen ( 18 O/ 16 O, 17 O/ 16 O) and the isotopic abundance of radioactive 36 Cl in ClO 4 - can be used to discriminate these different sources. Perchlorate was previously detected at relatively high concentrations (3.8–34.7 μg/L) in groundwater from many wells in the Boardman-Umatilla area near the Columbia River in northeastern Oregon, which is a semi-arid, highly agricultural, heavily irrigated area that includes several past and current military installations. Eight representative groundwater wells were sampled throughout this region and isotopic characteristics of ClO 4 - collected from each well were measured along with other chemical and isotopic parameters including tritium and other groundwater age indicators. We report isotopic data indicate that indigenous natural ClO 4 - was present in groundwater from all sampled wells and was the predominant source in five of the wells. Synthetic ClO 4 - was present in the three remaining wells with natural ClO 4 - , and a minor fraction of Atacama-fertilizer-derived ClO4- was indicated in one of the wells. Data from this study expand the geographic area of the USA in which indigenous natural ClO 4 - has been detected to include the semi-arid northwest. This study also illustrates the role of irrigation recharge as a mechanism for producing relatively high concentrations of indigenous natural ClO 4 - in groundwater by flushing accumulated salts from the unsaturated zone.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Metal (Fe, Cu, and As) transformation and association within secondary minerals in neutralized acid mine drainage characterized using X-ray absorption spectroscopy
The formation and transformation of secondary minerals in areas affected by neutralized acid mine drainage (AMD) determine the behavior of toxic elements. To better understand the binding form of toxic elements in the secondary minerals, we focused on the distribution of secondary precipitates and heavy metals in neutralized AMD near a typical Cu-polymetallic deposit located in central Tibet. Compared to background values, the average heavy metal (As, Cu, Co, Cu, Mo, Pb, and Zn) content is higher in sediments close to the neutralized AMD drain. X-ray absorption spectroscopy (XAS) characterization shows the Fe in the suspended particulate matter (SPM) first aggregate as small Fe(III) octahedra clusters and then precipitate as ferrihydrite along the river. The XAS results also show the by-products of neutralization-ferrihydrite and sulfate-are the primary forms of Fe and S in the sediments, respectively. Gypsum retains Cu in the sediments via structural fixation, surface adsorption, and surface coprecipitation. The difference of Cu-O coordination number between the SPM and the sediments reveals the Cu sulfate coprecipitation on the surface of gypsum accompanied by SPM transporting along the river. XAS results confirm that ferrihydrite act as an essential sink for heavy metals, especially As. As (III) mineral in the sediment near the neutralized AMD outfall is dissolved and oxidized to arsenate downstream, which then adsorb to ferrihydrite and/or form As(V)-Fe minerals along the river. Gypsum and ferrihydrite have the potential to release heavy metals with changes in water chemistry, which may pose a threat to the safety of drinking water for downstream residents. These results deepen the understanding of the influence of secondary minerals (especially gypsum and ferrihydrite) on the migration and transformation process of heavy metal pollutants in mine drainage system.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
The oxygen stable isotope composition of CRM 125-A UO 2 standard reference material
While there is a clear need for standardized reference materials for analytical calibrations and for inter-laboratory comparisons, there are not currently any for the oxygen stable isotopic composition of uranium oxides. In this paper we summarize the results from four laboratories by seven different methods of oxygen stable isotope analyses using fluorination techniques of CRM 125-A UO 2 Standard Reference Material. We synthesize these data and methods to arrive at a consensus oxygen stable isotope composition for CRM 125-A $δ$ 18 O = -9.63‰ (±0.29‰) VSMOW. We discuss methodological differences between analytical approaches, including furnace vs laser heating, fluorination using BrF 5 or ClF 3 , as well as calibration strategies. We highlight the potential effects of calibration scale compression from single-point calibrations using reference material with $δ$ 18 O values having a large relative difference from the sample being analyzed. We demonstrate how calibration scale compression can yield differences in calibrated $δ$ 18 O values up to ~2‰ for samples with ~20‰ difference from a single reference material, if the calibration slope of different analytical systems differs by 0.1. In conclusion, we suggest the use of liquid water calibration standards sealed in silver capillary tubes for multi-point calibrations of fluorination analysis systems.
07 ISOTOPE AND RADIATION SOURCES↗
Chemical and environmental stability of monazite-cheralite solid solutions Ln 1-2 x Ca x Th x PO 4 (Ln = Pr, Nd; x = 0–0.15): A thermodynamic study
Monazite-cheralite ceramics are a promising waste form for actinides. To elucidate the long-term behavior of this matrix in aqueous solutions, this study measured thermodynamic data for Th-rhabdophanes Ln 1-2 x Ca x Th x PO 4 ·nH 2 O (with Ln = Pr, Nd; x = 0–0.15) and the associated anhydrous monazite-cheralites Ln 1-2 x Ca x Th x PO 4 . Further, solubility experiments at 298K and high temperature oxide melt solution calorimetry were combined for calculation of ΔG$^°_f$, ΔH$^°_f$ and S$^°_m$ of Th-rhabdophanes and associated monazite-cheralites. Standard solubility constants were employed in a geochemical simulation using the PHREEQC software, the results of which confirmed the high chemical stability of the monazite-cheralite phases and supported their use as a specific conditioning matrix for the long-term immobilization of actinides.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Atomic-scale characterisation of sodium aluminosilicate hydrates (N-A-S-H) and Mg-substituted N(-M)-A-S-H using XANES
Not Available
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Dynamic development of geochemical reaction fronts during hydraulic stimulation of shale
Injection of acidic hydraulic fracture fluid (HFF) into shale formations for unconventional oil/gas production results in chemical reactions in the shale matrix that can alter fluid transport. Here, we report the results of set of experiments designed to evaluate the impact of calcite dissolution as a function of carbonate mineral content on matrix chemical reactivity and pore-space modification concomitant with imbibition. In this study, we tracked acidic HFF transport in four samples of Wolfcamp shale with calcite contents varying from 4% to 59% by monitoring the rate and spatial extent of bromide tracer transport using synchrotron-based X-ray fluorescence microprobe (XFM) imaging. Concurrently, we also carried out XFM imaging of the spatial distribution of Ca in the Wolfcamp shale cores (as a proxy of calcite distribution). Our approach thus yields a direct record of time-resolved selective ion transport resulting from the penetration of acidic HFF and the associated mineral transformations in the shale cores. We show that the variability in calcite content of Wolfcamp shale samples can directly affect the rate and spatial extent of imbibition. Although reaction of the acidic HFF with carbonates in shales enhances calcite dissolution and increases porosity, the spatial extent of calcite dissolution in the shale matrix is limited due to a rapid neutralization of pH. The relative abundance and spatial distribution of calcite control the chemical saturation state of the HFF progressing into the matrix. As a result, calcite has a major impact on the spatial extent and rate of matrix alteration and thus on HFF transport during subsurface reservoir stimulation. Consequently, increased calcite content in the shale matrix inhibits the spatial extent of the pore-volume increase and, by extension, the spatial extent and rate of imbibition. Our results thus show that the overall rates of calcite dissolution approach the rates of acidic HFF transport (i.e., Damköhler number ~1), which could contribute to the efficiency of subsurface reservoir stimulation. A better understanding of HFF-calcite reaction rates is crucial for improving the prediction and optimization of fluid transport across HFF-shale interfaces during hydraulic fracturing.
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