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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 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Groundwater mixing and mineralization processes in a mountain–oasis–desert basin, northwest China: hydrogeochemistry and environmental tracer indicators

Hydrogeochemistry and environmental tracers ({sup 2}H, {sup 18}O, {sup 87}Sr/{sup 86}Sr) in precipitation, river and reservoir water, and groundwater have been used to determine groundwater recharge sources, and to identify mixing characteristics and mineralization processes in the Manas River Basin (MRB), which is a typical mountain–oasis–desert ecosystem in arid northwest China. The oasis component is artificial (irrigation). Groundwater with enriched stable isotope content originates from local precipitation and surface-water leakage in the piedmont alluvial–oasis plain. Groundwater with more depleted isotopes in the north oasis plain and desert is recharged by lateral flow from the adjacent mountains, for which recharge is associated with high altitude and/or paleo-water infiltrating during a period of much colder climate. Little evaporation and isotope exchange between groundwater and rock and soil minerals occurred in the mountain, piedmont and oasis plain. Groundwater δ{sup 2}H and δ{sup 18}O values show more homogeneous values along the groundwater flow direction and with well depths, indicating inter-aquifer mixing processes. A regional contrast of groundwater allows the {sup 87}Sr/{sup 86}Sr ratios and δ{sup 18}O values to be useful in a combination with Cl, Na, Mg, Ca and Sr concentrations to distinguish the groundwater mixing characteristics. Two main processes are identified: groundwater lateral-flow mixing and river leakage in the piedmont alluvial–oasis plain, and vertical mixing in the north oasis plain and the desert. The {sup 87}Sr/{sup 86}Sr ratios and selected ion ratios reveal that carbonate dissolution and mixing with silicate from the southern mountain area are primarily controlling the strontium isotope hydrogeochemistry.

58 GEOSCIENCES↗
DOE OSTI2025

Biotechnological solutions for critical mineral recovery from unconventional feedstocks

Secure and sustainable metal recovery from unconventional feedstocks is needed to meet the mineral demands of energy, defense, and electronic technologies. Here, we highlight the potential to leverage nature’s ability to extract and differentiate metal ions in biotechnologies that could become the next generation of mining and refining. We describe bulk and trace processes and then discuss the advances and opportunities of two key bioprocesses: microbially mediated solubilization of metal ions from solid matrices (termed ‘bioleaching’) and bio-based separation of solubilized ions via selective adsorption to proteins. Both biotechnologies have advantages such as reduced energy input for leaching low-grade feedstocks and reduced organic solvent demand for separating ions with similar physiochemical properties but require more development for industrial scale recovery from unconventional feedstocks. Innovation in biological science and engineering may bring timely solutions to key challenges toward recovering critical minerals from unconventional feedstocks.

organic↗
DOE OSTI2016

Regulatory inhibition of biological tissue mineralization by calcium phosphate through post-nucleation shielding by fetuin-A

In vertebrates, insufficient availability of calcium and inorganic phosphate ions in extracellular fluids leads to loss of bone density and neuronal hyper-excitability. To counteract this problem, calcium ions are usually present at high concentrations throughout bodily fluids—at concentrations exceeding the saturation point. This condition leads to the opposite situation where unwanted mineral sedimentation may occur. Remarkably, ectopic or out-of-place sedimentation into soft tissues is rare, in spite of the thermodynamic driving factors. This fortunate fact is due to the presence of auto-regulatory proteins that are found in abundance in bodily fluids. Yet, many important inflammatory disorders such as atherosclerosis and osteoarthritis are associated with this undesired calcification. Hence, it is important to gain an understanding of the regulatory process and the conditions under which it can go awry. In this manuscript, we extend mean-field continuum classical nucleation theory of the growth of clusters to encompass surface shielding. We use this formulation to study the regulation of sedimentation of calcium phosphate salts in biological tissues through the mechanism of post-nuclear shielding of nascent mineral particles by binding proteins. We develop a mathematical description of this phenomenon using a countable system of hyperbolic partial differential equations. A critical concentration of regulatory protein is identified as a function of the physical parameters that describe the system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

The Orson Anderson Era of Mineral Physics at Lamont in the 1960s

From 1964 to the early 1970s, Orson Anderson led a research program at the Lamont Geological Observatory in the newly-emerging field of “mineral physics”. In collaboration with colleagues Edward Schreiber and Naohiro Soga, Orson exploited the techniques of physical acoustics to study the behavior of the sound velocities of minerals at elevated pressures and temperatures. This research program also included semi-empirical studies of the relationships between the bulk modulus and the molar volume of solids, the use of lattice dynamics to calculate the elastic moduli of cubic structures as a function of pressure to predict instabilities, and theoretical investigations of the Lagrangian and Eulerian formulations of finite strain equations of state.

58 GEOSCIENCES↗
DOE OSTI2024

Effect of Particle Size on Raman Signal Strength of Silicate Minerals

Understanding the effects of particle size is necessary for quantifying minerals in mixtures using Raman spectroscopy. Raman signal intensity is evaluated using six common silicate minerals (two olivines, two pyroxenes, and two feldspars) at 10 particle size ranges. For olivines and feldspars, the highest peak intensities are observed in samples with 38–63 and 63–106 μm particle sizes. There is no such consistent trend for the pyroxene samples, although the overall low signal strength complicates those measurements. In conclusion, Raman spectra of samples with varying particle sizes appear to be influenced by two competing effects: scattering from particle boundaries and effective sampling volume.

58 GEOSCIENCES↗
DOE OSTI2024

Reduced accrual of mineral-associated organic matter after two years of enhanced rock weathering in cropland soils, though no net losses of soil organic carbon

Abstract Enhanced rock weathering (ERW), the application of crushed silicate rock to soil, can remove atmospheric carbon dioxide by converting it to (bi) carbonate ions or solid carbonate minerals. However, few studies have empirically evaluated ERW in field settings. A critical question remains as to whether additions of crushed rock might positively or negatively affect soil organic matter (SOM)—Earth’s largest terrestrial organic carbon (C) pool and a massive reservoir of organic nitrogen (N). Here, in three irrigated cropland field trials in California, USA, we investigated the effect of crushed meta-basalt rock additions on different pools of soil organic carbon and nitrogen (i.e., mineral-associated organic matter, MAOM, and particulate organic matter, POM), active microbial biomass, and microbial community composition. After 2 years of crushed rock additions, MAOM stocks were lower in the upper surface soil (0–10 cm) of plots with crushed rock compared to unamended control plots. At the 2 sites where baseline pre-treatment data were available, neither total SOC nor SON decreased over the 2 years of study in plots with crushed rock or unamended control plots. However, the accrual rate of MAOM-C and MAOM-N at 0–10 cm was lower in plots with crushed rock vs. unamended controls. Before ERW is deployed at large scales, our results suggest that field trials should assess the effects of crushed rock on SOM pools, especially over multi-year time scales and in different environmental contexts, to accurately assess changes in net C and understand the mechanisms driving interactions between ERW and SOM cycling.

58 GEOSCIENCES↗
DOE OSTI2013

A Framework for Quantitative Assessment of Impacts Related to Energy and Mineral Resource Development

Natural resource planning at all scales demands methods for assessing the impacts of resource development and use, and in particular it requires standardized methods that yield robust and unbiased results. Building from existing probabilistic methods for assessing the volumes of energy and mineral resources, we provide an algorithm for consistent, reproducible, quantitative assessment of resource development impacts. The approach combines probabilistic input data with Monte Carlo statistical methods to determine probabilistic outputs that convey the uncertainties inherent in the data. For example, one can utilize our algorithm to combine data from a natural gas resource assessment with maps of sage grouse leks and pinon-juniper woodlands in the same area to estimate possible future habitat impacts due to possible future gas development. As another example: one could combine geochemical data and maps of lynx habitat with data from a mineral deposit assessment in the same area to determine possible future mining impacts on water resources and lynx habitat. The approach can be applied to a broad range of positive and negative resource development impacts, such as water quantity or quality, economic benefits, or air quality, limited only by the availability of necessary input data and quantified relationships among geologic resources, development alternatives, and impacts. In conclusion, the framework enables quantitative evaluation of the trade-offs inherent in resource management decision-making, including cumulative impacts, to address societal concerns and policy aspects of resource development.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2017

Mesoporous SiO{sub 2} produced by mineralization of yeast cells as an efficient electrocatalyst for oxygen reduction reaction

Mes oporous SiO{sub 2} (yeast-SiO{sub 2}/C) was successfully prepared by mineralization of yeast cell template under different pH values. Analysis of the nitrogen adsorption-desorption isotherms indicated that the pore size distribution of the mesoporous yeast-SiO{sub 2} samples significantly varies depending on the pH value used f or biomineralization. Average pore diameters for the samples synthesized at pH 5.0, 7.0, and 11.0 were found to be 7.9, 17.8, and 9.4 nm, respectively. The mineralization ability of silicon ions can be enhanced using conditions with a higher acidity. The air electrodes fabricated using the yeast-SiO{sub 2} mesoporous composites exhibited remarkable electrocatalytic activity in oxygen reduction reaction under alkaline conditions. The mesoporous sample synthesized at pH 5.0 showed the highest electrocatalytic performance in the oxygen reduction reaction; this sample has the largest surface area and the highest total pore volume. It is supposed that the mesoporous structure of the nanocomposites predetermined by the yeast cell template significantly reduced the electrochemical polarization and improved mass transport in the air diffusion electrode.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Experimental and numerical analysis of parallel reactant flow and transverse mixing with mineral precipitation in homogeneous and heterogeneous porous media

Formation of mineral precipitates in the mixing interface between two reactant solutions flowing in parallel in porous media is governed by reactant mixing by diffusion and dispersion and is coupled to changes in porosity/permeability due to precipitation. The spatial and temporal distribution of mixing-dependent precipitation of barium sulfate in porous media was investigated with side-by-side injection of barium chloride and sodium sulfate solutions in thin rectangular flow cells packed with quartz sand. The results for homogeneous sand beds were compared to beds with higher or lower permeability inclusions positioned in the path of the mixing zone. In the homogeneous and high permeability inclusion experiments, BaSO 4 precipitate (barite) formed in a narrow deposit along the length and in the center of the solution–solution mixing zone even though dispersion was enhanced within, and downstream of, the high permeability inclusion. In the low permeability inclusion experiment, the deflected BaSO 4 precipitation zone broadened around one side and downstream of the inclusion and was observed to migrate laterally toward the sulfate solution. A continuum-scale fully coupled reactive transport model that simultaneously solves the nonlinear governing equations for fluid flow, transport of reactants and geochemical reactions was used to simulate the experiments and provide insight into mechanisms underlying the experimental observations. Lastly, migration of the precipitation zone in the low permeability inclusion experiment could be explained by the coupling effects among fluid flow, reactant transport and localized mineral precipitation reaction.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Reactive Transport Modeling with Physics-Informed Machine Learning for Critical Minerals Applications

This study presents a physics-informed neural network (PINN) framework for reactive transport modeling for simulating fast bimolecular reactions in porous media. Accurate characterization of cAhemical interactions and product formation in surface and subsurface environments is essential for advancing critical mineral extraction and related geoscience applications. The proposed methodology sequentially addresses the flow and diffusion–reaction subproblems. The flow field is computed using a mixed formulation, while the diffusion–reaction system is modeled via two uncoupled tensorial diffusion equations reformulated in terms of chemical invariants. PINNs are employed to solve the governing equations, enabling data-efficient, mesh-free prediction of chemical concentration fields. The framework is validated through a series of benchmark problems involving flow in heterogeneous porous media. Initial verification is conducted using patch tests for the flow field, followed by validation of the transport problem with emphasis on preserving non-negativity of concentrations. The complete fast bimolecular reaction scenario is then solved, yielding spatial distributions of reactants and product species. Results demonstrate that the PINNs-based approach effectively captures sharp, mixing-limited reaction fronts and dispersive mixing behavior, offering reliable predictions of reactive plume evolution. These capabilities are crucial for evaluating long-term subsurface behavior in applications such as fluid storage, energy extraction, and efficient extraction of critical minerals.

42 ENGINEERING↗
DOE OSTI2014

Crystallization of belite–melilite clinker minerals in the presence of liquid phase

Crystallization of belite–melilite clinker minerals was studied from the view point of a high temperature equilibrium. Ca{sub 2}SiO{sub 4}–Ca{sub 2}Al{sub 2}SiO{sub 7} and Ca{sub 2}SiO{sub 4}–Ca{sub 2}AlFeSiO{sub 7} clinkers were synthesized at 1330 °C–1650 °C. The constituent phases were determined by X-ray powder diffractometry and optical microscopy. Chemical compositions of the individual clinker minerals were determined using an electron probe microanalyzer. We established the two types of P{sub 2}O{sub 5}-bearing pseudobinary phase diagrams in the systems Ca{sub 2}SiO{sub 4}–Ca{sub 2}Al{sub 2}SiO{sub 7} at 1505 °C–1650 °C and Ca{sub 2}SiO{sub 4}–Ca{sub 2}(Al,Fe){sub 2}SiO{sub 7} at 1330 °C–1550 °C. In the latter system, the liquid phase appeared at 1390 °C, which is approximately 150 °C lower than the temperature of liquid formation in the former system. The melilite phenocrysts larger than 50 μm were observed not only in the slowly cooled Ca{sub 2}SiO{sub 4}–Ca{sub 2}(Al,Fe){sub 2}SiO{sub 7} clinker but also in commercial belite–melilite clinkers. These crystals would be nucleated and grown from a liquid phase which was formed at relatively low temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2021

The anion exchange properties of AFm (hydrocalumite-group) minerals defined from solubility experiments and crystallographic information

Solubility experiments with binary series of OH-, Cl-, SO{sub 4}- and CO{sub 3}-AFm were re-examined with a non-ideal, multicomponent solid solution model. The electrical double layer on the mineral's outer surface, which neutralizes about 5% of the anionic charge, can be included. The choice of the end-members in the solid solution and the reaction formulation can help to eliminate the ‘non-ideality’ for OH-SO{sub 4} and Cl-OH exchange. CO{sub 3}-Cl-OH exchange is not ideal in the solubility experiments, nor can it be, because the mineral volume is not a linear combination of the end-members. The solubilities of the end-members are related to the anion charge and inversely to the anion-layer thickness. OH is part of the anion-charge, even when a pure, other anion form is the target of the synthesis. Pure OH-AFm is unstable and converts into hydrogarnet and portlandite, depending on the precipitation rate of hydrogarnet.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Coordination environment of Si in calcium silicate hydrates, silicate minerals, and blast furnace slags: A XANES database

Understanding the silicate polymerization of calcium silicate hydrate (C-S-H) gel and its crystalline polymorphs is important in cement science. NMR can determine Si environments, but the measurement can be time-consuming and provides no spatial information. X-ray absorption near-edge structure (XANES) spectroscopy is a fast tool for probing Si coordination, possibly with spatial information. However, there lacks an understanding of Si K-edge XANES spectra of cement-related silicate phases. Here, a Si K-edge XANES spectral database of nanocrystalline C-S-H, C-S-H minerals, blast-furnace slags, and metakaolin is provided. Si K-edge of C-S-H minerals shifts to higher energies with higher polymerized Si and lower CaSi connectivity in the Si second nearest neighbor shell. Si K-edge energy shows weak correlations with Ca/Si ratio, average SiO bond length, and SiO{sub 4} distortion due to the structural complexity of silicates. The substitution of Al for Si shifts the Si K-edge of tobermorite and slags to higher energies.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Development of a Flotation Simulator That Can Predict Grade vs. Recovery Curves from Mineral Liberation Data

Flotation is a kinetic process designed to separate mineral fines by control of hydrophobicity. In general, both the recovery and selectivity of a flotation process increase with contact angle. It is difficult, however, to model flotation kinetics using the thermodynamic parameter. In the present work, we consider flotation as heterocoagulation so that the bubble-particle interactions occurring in the pulp phase of a flotation cell can be modeled using the hydrophobic force as a kinetic parameter that can represent the role of contact angles in flotation. Here, the pulp-phase model developed in this manner has been combined with a froth-phase model developed earlier by considering the effect of particles in film thinning kinetics and bubble coarsening (Park et al, 2018). The combined model has been used to develop a flotation simulator that can be used to construct grade vs. recovery curves from feed characteristics (e.g., mineral liberation and particle size) and various operating parameters. The simulator has been tested successfully against a set of bench-scale continuous flotation test results reported in the literature (dos Santos and Galery, 2018).

58 GEOSCIENCES↗
DOE OSTI2021

Characterizing mineralization on low carbon steel exposed to aerated and degassed synthetic hydraulic fracture fluids

This study investigates the mineralization occurring at the interface between injected hydraulic fracturing fluids and steel production casing during the shut-in period of unconventional shale wells. Mild steel coupons were reacted with synthetic hydraulic fracturing fluids with varying base fluid and dissolved gas concentrations. Experiments were carried out in an autoclave system set at 50 °C and 2000 PSI for 2 and 14 days. Physical and mineralogical changes to the steel coupons’ surface were characterized using an FEI Quanta 600 field emission gun (FEG) scanning electron microscope (SEM) and a PANalytical XPert Pro diffractometer. Barite precipitation occurred ubiquitously during the first 48 hours in all experimental scenarios. Sulfate radicals created from degradation and reduction of ammonium persulfate breakers facilitate barite formation. Concomitant barite and corrosion related precipitates on the sample surfaces suggest iron hydroxy salts act as nucleation sites for mineral scale growth. These results suggest hydraulic fracturing fluids may have deleterious effects on the wellbore before production of the well begins.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Anaerobic digestion of paunch in a CSTR for renewable energy production and nutrient mineralization

Highlights: • Anaerobic digestion and nutrient mineralization of paunch in a CSTR. • Low CH{sub 4} yield and high CH{sub 4} productivity was obtained at an OLR of 2.8 g VS L{sup −1} day{sup −1.} • Post-digestion of the digestate resulted in a CH{sub 4} yield of 0.067 L g{sup −1} VS. • Post-digestion is recommended for further digestate stabilization. - Abstract: A laboratory study investigated the anaerobic digestion of paunch in a continuous stirred tank reactor (CSTR) for the recovery of biogas and mineralization of nutrients. At an organic loading rate (OLR) of 2.8 g VS L{sup −1} day{sup −1} with a 30-day hydraulic retention time (HRT), a CH{sub 4} yield of 0.213 L g{sup −1} VS and CH{sub 4} production rate of 0.600 L L{sup −1} day{sup −1} were obtained. Post-anaerobic digestion of the effluent from the CSTR for 30 days at 40 °C recovered 0.067 L g{sup −1} VS as CH{sub 4}, which was 21% of the batch CH{sub 4} potential. Post-digestion of the effluent from the digestate obtained at this OLR is needed to meet the stable effluent criteria. Furthermore, low levels of soluble ions such as K{sup +}, Ca{sup 2+} and Mg{sup 2+} were found in the liquid fraction of the digestate and the remainder could have been retained in the solid digestate fraction. This study demonstrates the potential of biogas production from paunch in providing renewable energy. In addition, recovery of plant nutrients in the digestate is important for a sustainable agricultural system.

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

Assessing the Relative Climate Impact of Carbon Utilization for Concrete, Chemical, and Mineral Production

Estimates show that 6.2 gigatons of carbon dioxide (CO2) can be captured and utilized across three pathways, concrete, chemical, and minerals, by 2050. However, it is difficult to compare the climate benefit across these three carbon capture and utilization (CCU) pathways to determine the most effective use of captured CO2. The life cycle assessment methods to evaluate the climate benefit of CCU chemicals should additionally account for the change in material properties of concrete due to CO2 utilization. Furthermore, with most CO2 utilization technologies being in the early stages of research and development, the uncertainty and variability in process and inventory data present a significant challenge in evaluating the climate benefit. We present a stochastically determined climate return on investment (ROI) metric to rank and prioritize CO2 utilization across 20 concrete, chemical and mineral pathways based on the realized climate benefit. We show that two concrete pathways, which use CO2 during concrete mixing, and two chemical pathways, which produce formic acid through hydrogenation of CO2 and carbon monoxide through dry reforming of methane, generate the greatest climate ROI and are the only CCU pathways with a higher likelihood of generating a climate benefit than a climate burden.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

3D Quantification of Pore Networks and Anthropogenic Carbon Mineralization in Stacked Basalt Reservoirs

Basalt formations are promising candidates for the geologic storage of anthropogenic CO 2 due to their storage capacity, porosity, permeability, and reactive geochemical trapping ability. The Wallula Basalt Carbon Storage Pilot Project demonstrated that supercritical CO 2 injected into >800 m deep Columbia River Basalt Group stacked reservoir flow tops mineralizes to ankerite-siderite-aragonite on month-year timescales, with 60% of the 977 metric tonnes of CO 2 converted within two years. The potential impacts of mineral precipitation and consequent changes on rock porosity, pore structure, pore size, and pore size distributions have likely been underestimated hitherto. Herein, we address these knowledge gaps using X-ray Micro Computed Tomography (XMT) to evaluate the pore network architecture of sidewall cores recovered two years after CO 2 injection. In the present study, we performed a detailed quantitative analysis of the CO 2 -reacted basalt cores by XMT imaging. Reconstructed 3D images were analyzed to study the distribution and volumetric details of porosity and carbonate nodules in the cores along with the various other phases, providing insight into paragenesis and carbonate growth mechanisms, including mineralogic/chemical zonation. Finally, these findings are being used to parametrize multiphase reactive transport models to predict the fate and transport of subsurface CO 2 , enabling scale-up to commercial-scale geologic carbon storage in basalts and other reactive mafic-ultramafic formations.

54 ENVIRONMENTAL SCIENCES↗