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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Agro-IBIS/THMB Modeled Yield, Nitrogen Loss, and Profitability Maps for the Raccoon River Basin, Iowa, USA

This data was used to assess the potential for improving water quality in this watershed when integrating miscanthus, a bioenergy perennial grass, on to areas of low profit under current corn-soybean management and areas of high nitrogen leaching under both current and future climate conditions. This dataset includes all observations (yield, streamflow, nitrogen loads) and model simulation data used from Dr. Kelsie Ferin’s (former PhD student with Dr. Andy VanLoocke, ISU Dept. of Agronomy) dissertation and publication in Global Change Biology – Bioenergy (DOI: 10.1111/gcbb.13078). Modeled output included in this dataset includes corn, soybean, and miscanthus yields, nitrogen leaching rates, net mineralization rates, land use cover fractions with and without the inclusion of miscanthus, profitability maps, additional soil property maps, and simulated streamflow and nitrogen loads near the outlet of the Raccoon River Basin (Van Meter, Iowa) for both historical and future climate conditions. This dataset includes a mixture of netCDF, .tiff, .csv, and .xlsx files. See README.pdf for more information.

Ferin, Kelsie↗
DOE OSTI2021

Recovery and Enhanced Upgrading of Rare Earth Elements from Coal-Based Resources: Bioleaching and Precipitation

Rare earth elements (REEs) are of great importance to modern society and their reliable supply is a major concern of many industries that utilize them in metal alloys, semiconductors, electrical equipment, and defense equipment. REEs in the coal waste have been revealed to be an alternative resource for REEs production. In this study, the extraction, recovery, and upgrading of the REEs from coal waste has been realized with the bioleaching and precipitation processes. Reliable and sustainable acid and oxidant production from the oxidation of the pyrite with Acidithiobacillus ferrooxidans to generate acid for leaching were realized in this research. The acidified bioleaching solution was used to extract REEs from coal waste, with 13–14% yields for most REE elements (~72 h of leaching). However, recovery for longer duration tests was significant higher (varies from 40–60% for individual REEs). After extraction, precipitation and separation processes were designed with the aid of Visual Minteq calculations and modeling to concentrate the REEs. With the procedures designed in this research, a final REEs precipitate product containing 36.7% REEs was produced.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2022

A Hybrid Experimental and Theoretical Approach to Optimize Recovery of Rare Earth Elements from Acid Mine Drainage Precipitates by Oxalic Acid Precipitation

The development of processing techniques for the extraction of rare earth elements and critical minerals (REE/CM) from acid mine drainage precipitates (AMDp) has attracted increased interest in recent years. Processes under development often utilize a standard hydrometallurgical approach that includes leaching and solvent extraction followed by oxalic acid precipitation and calcination to produce a final rare earth oxide product. Impurities such as Ca, Al, Mn, Fe and Mg can be detrimental in the oxalate precipitation step and a survey of the literature showed limited data pertaining to the REE precipitation efficiency in solutions with high impurity concentrations. As such, a systematic laboratory-scale precipitation study was performed on a strip solution generated by the acid leaching and solvent extraction of an AMDp feedstock to identify the optimal processing conditions that maximize REE precipitation efficiency and product purity while minimizing the oxalic acid dosage. Given the unique chemical characteristics of AMDp, the feed solution utilized in this study contained a moderate concentration of REEs (440 mg/L) as well a significant concentration (>7000 mg/L total) of non-REE contaminants such as Ca, Al, Mn, Fe and Mg. Initially, a theoretical basis for the required oxalic acid dose, optimal pH and predicted precipitation efficiency was established by solution equilibrium calculations. Following the solution chemistry calculations, bench-scale precipitation experiments were conducted and these test results indicate that a pH of 1.5 to 2, a reaction time of more than 2 h and an oxalic acid dosage of 30 to 40 g/L optimized the REEs recovery of at ~95% to nearly 100% for individual REE species. The test results validated the optimal pH predicted by the solution chemistry calculations (1.5 to 5); however, the predicted dosage needed for complete REE recovery (10 g/L) was significantly lower than the experimentally-determined dosage of 30 to 40 g/L. The reason for this discrepancy was determined to be due to the large concentration of impurities and large number of potential metal complexes that cause inaccuracies in the solution equilibrium calculations. Based on these findings, a hybrid experimental and theoretical approach is proposed for future oxalic acid precipitation optimization studies.

oxalic acid precipitation↗
DOE OSTI2023

Chemical abrasion: the mechanics of zircon dissolution

Chemical abrasion is a technique that combines thermal annealing and partial dissolution in hydrofluoric acid (HF) to selectively remove radiation-damaged portions of zircon crystals prior to U–Pb isotopic analysis, and it is applied ubiquitously to zircon prior to U–Pb isotope dilution thermal ionization mass spectrometry (ID-TIMS). The mechanics of zircon dissolution in HF and the impact of different leaching conditions on the zircon structure, however, are poorly resolved. We present a microstructural investigation that integrates microscale X-ray computed tomography (µCT), scanning electron microscopy, and Raman spectroscopy to evaluate zircon dissolution in HF. We show that µCT is an effective tool for imaging metamictization and complex dissolution networks in three dimensions. Acid frequently reaches crystal interiors via fractures spatially associated with radiation damage zoning and inclusions to dissolve soluble high-U zones, some inclusions, and material around fractures, leaving behind a more crystalline zircon residue. Other acid paths to crystal cores include the dissolution of surface-reaching inclusions and the percolation of acid across zones with high defect densities. In highly crystalline samples dissolution is crystallographically controlled with dissolution proceeding almost exclusively along the c axis. Increasing the leaching temperature from 180 to 210 °C results in deeper etching textures, wider acid paths, more complex internal dissolution networks, and greater volume losses. How a grain dissolves strongly depends on its initial radiation damage content and defect distribution as well as the size and position of inclusions. As such, the effectiveness of any chemical abrasion protocol for ID-TIMS U–Pb geochronology is likely sample-dependent. We also briefly discuss the implications of our findings for deep-time (U-Th)/He thermochronology.

58 GEOSCIENCES↗
DOE OSTI2025

Subsurface hydrological controls on the short-term effects of hurricanes on nitrate–nitrogen runoff loading: a case study of Hurricane Ida using the Energy Exascale Earth System Model (E3SM) Land Model (v2.1)

When the nutrient level in the soil surpasses vegetation demand, nutrient losses due to surface runoff and subsurface leaching are the major reasons for the deterioration of water quality. The lower Mississippi River basin (LMRB) is one of the sub-basins that deliver the highest nitrogen loads to the Gulf of Mexico. Potential changes in episodic events induced by hurricanes may exacerbate water quality issue in the future. However, uncertainties in modeling the hydrologic response to hurricanes may limit the modeling of nutrient losses during such events. Using a machine learning approach, we calibrated the land component of the Energy Exascale Earth System Model (E3SM), or ELM, version 2.1, based on the water table depth (WTD) of a calibrated 3D subsurface hydrology model. While the overall performance of the calibrated ELM is satisfactory, some discrepancies in WTD remain in slope areas with low precipitation due to the missing lateral flow process in ELM. Simulations including biogeochemistry performed using ELM with and without model calibration showed important influences of soil hydrology, precipitation intensity, and runoff parameterization on the magnitude of nitrogen runoff loss and the leaching pathway. Despite such sensitivities, both ELM simulations produced reduced WTD and increased runoff and accelerated nitrate–nitrogen runoff loading during Hurricane Ida in August 2021, consistent with the observations. With observations suggesting more pronounced effects of Hurricane Ida on nitrogen runoff than the simulations, we identified factors for model improvement to provide a useful tool for studying hurricane-induced nutrient losses in the LMRB region.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Improved methods for separation of Cobalt, Manganese, Nickel, Lithium from Waste Lithium-ion Battery Scrap

Improved methods for separation of Cobalt, Manganese, Nickel, Lithium from Waste Lithium-ion Battery Scrap Mark L. Strauss1, John Klaehn1 Luis Diaz Aldana1, Tedd Lister1 Idaho National Laboratory1, Biological and Chemical Processing Department, Idaho Falls, Idaho 83415 ABSTRACT The current methods for the separation of Co, Mn, Ni, Li require that the leach solution have a pH between 2-4 in order to use many Cyanex cationic exchange products. Using a unique buffer solution for the reagent combined with the leachate of innovative electrochemical leaching process for lithium batteries demonstrates the separation is possible without a large of pH modification as other commercial hydrometallugical separation process. This research demonstrates a process that is more environmentally sustainable because the reagent consumption may be less. The corresponding McCable-Thiele diagrams and number of theoretical stages were determined to achieve a 80-90% purity of cobalt, manganese, nickel and lithium.

42 ENGINEERING↗
DOE OSTI2020

Atomic Layer Deposition (ALD) to Extend Catalyst Lifetime for Biobased Adipic Acid Production

Robust heterogeneous catalysts are essential for enabling biomass conversion; however, harsh reaction environments introduce durability challenges for many conventional catalyst materials [1]. The hydrogenation of biobased muconic acid to adipic acid is one such emerging chemistry that faces PGM catalyst stability challenges [2]. Muconic acid is a heavily-investigated biobased platform chemical that can be converted into an array of large-market commodity chemicals [2]. PGM catalysts are exceptionally effective for muconic acid hydrogenation to adipic acid, with Pd the most active to date. [2] However, Pd leaches in an acidic environment and this chemistry has a high propensity for fouling. Atomic layer deposition (ALD) is one such material design strategy that has emerged to stabilize supported metal catalysts [3]. ALD coatings are theorized to stabilize supported metal active sites by i) covering high-energy facets most susceptible to degradation, ii) disrupting the physical mobility of active sites, and iii) reinforcing the structure of the underlying catalyst support [3]. However, ALD coatings for catalyst durability with carboxylic acids remains an underdeveloped area of research and literature reports have yet to consider the techno-economic tradeoffs between the ALD manufacturing cost and catalyst lifetime productivity. This study examines low-cycle Al2O3 ALD coatings to stabilize Pd/TiO2 against deactivation during muconic acid hydrogenation. The unique harshness of muconic acid for Pd leaching was evaluated by both experiment and computation. Based on batch reactor screening results, uncoated and ALD coated catalysts were evaluated in a continuous flow reactor for their productivity, stability, and post-reaction regenerability at 700 degrees C. Characterization was performed to assess the impact of ALD coatings on catalyst morphology, as well as following regeneration. Finally, techno-economic analysis models evaluated the value proposition for ALD-coated catalysts within an nth-generation adipic acid biorefinery.

09 BIOMASS FUELS↗
DOE OSTI2020

Systems and methods for PTNI nanocages

A method for synthesis of PtNi nanocages by synthesizing Pt1Ni6 nanoparticles and acid leaching to form PtNi nanocages. The acid leaching removes nickel selectively from the core of the nanoparticle.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Atomic Layer Deposition for Enhanced Reactivity and Stability of Biomass Conversion Catalysts

Heterogeneous catalysts are an essential tool in the transition towards a sustainable, bio-based economy for fuels and chemicals. However, the harsh conditions (e.g., high temperatures, acidity, oxidizing/reducing environments) of many key biomass conversion processes give rise to nanoparticle sintering, support collapse, and metal leaching in conventional PGM catalysts. Active site poisoning due to the relatively high sulfur content of most biomass feedstocks further compounds these durability problems. Next-generation catalysts must be developed to address these stability challenges. In this work, we used a scalable atomic layer deposition (ALD) process to modify conventional Pd-based hydrogenation catalysts to generate significant performance improvements. TiO2 ALD coatings were found to increase the activity of Pd/Al2O3 catalysts towards naphthalene hydrogenation; additionally, these coatings improved the catalyst's resistance to sulfur poisoning and thermal stability under oxidative calcination. Additional work in which Al2O3 ALD coatings were applied to Pd/TiO2 catalysts for muconic acid hydrogenation found similar stability benefits, including improved resistance to Pd leaching in the acidic environment. ALD technology holds great potential in the development of next-generation catalysts for biofuels and bioproducts and this work constitutes an important examination of applying ALD coatings to supported Pd hydrogenation catalysts.

ALD↗
DOE OSTI2020

Systems and methods for scale-up synthesis multi-layered Pt-skin nanoparticle catalysts

A method for scaled-up synthesis of PtNi nanoparticles. Synthesizing a Pt nanoparticle catalyst comprises the steps of: synthesizing PtNi nanoparticles, isolating PtNi/substrate nanoparticles, acid leaching the PtNi/substrate, and annealing the leached PtNi/substrate nanoparticles, and forming a Pt-skin on the PtNi/substrate nanoparticles.

Stamenkovic, Vojislav↗
DOE OSTI2022

Comparison of AGR-3/4 Fission Product Transport Model to Measurements and Extraction of Diffusivities via Analytical Fits

A one-dimensional finite-element model based on the MOOSE framework has been constructed, and overall transport estimates are predicted based on available diffusivities and sorption isotherms in the extant literature. The predicted transport profiles are compared to experimental results, where such results are available, including total inventory analysis of gamma emitters, liquid scintillation results for Sr-90 concentrations, radial deconsolidation leach-burn-leach within compacts, tomographic reconstructions based on detailed gamma scanning and destructive physical sampling of several rings. The magnitude of expected transport to the sink ring is generally predicted by the model for silver and cesium, however, modeled detailed concentration profiles are not consistent with experimental results. Strontium and europium transport is not well characterized by model results.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2020

PILOT PLANT EVALUATIONS OF RARE EARTH ELEMENT RECOVERY AND CONCENTRATION FROM PRE-COMBUSTION BITUMINOUS COAL SOURCES

Rare earths and other critical elements are commonly associated with coal-based sources and sometimes at concentrations that may be attractive for recovery as a byproduct of coal production. The results obtained from laboratory research performed during the past five years have led to the design, construction and testing of a pilot plant that recovered rare earth elements from several bituminous coal-based materials including coarse refuse as well as solutions from a small heap leach and acid mine drainage. From this initial design, rare earth oxide (REO) concentrates having a purity greater than 90% have been produced using solvent extraction as the primary means of concentration. Following cost reduction and process intensification efforts, the circuit was revised to include feed calcination and several selective precipitation stages as a substitute for the original direct leach-solvent extraction circuit. Pilot test results revealed that the modified circuit was ideal for treating the relatively low-grade feedstocks and provided similar final REO purities at a significantly lower cost. This communication will present the flowsheets evaluated in the pilot plant along with technical and economic analyses for each circuit.

Coal↗
DOE OSTI2023

Method for recovering valuable elements from precombustion coal-based materials

A method for recovering valuable elements from pre-combustion coal-based materials includes the steps of grinding the materials to a predetermined size, roasting the ground materials at a temperature of 600° C.-700° C. for a predetermined residence time needed for mineral decomposition, submerging the roasted, ground materials in a solution of lixiviant, filtering the lixiviant solution to separate residual solids from a pregnant leach solution including the valuable elements and recovering and concentrating the valuable elements from the pregnant leach solution.

Honaker, Rick↗
DOE OSTI2022

Autogenous acid production using a regulated bio-oxidation method for economical recovery of REEs and critical metals from coal-based resources

Acid is a necessary component for the successful leaching of minerals containing REEs (rare earth elements) and other sources. Pyrite (FeS2), which is present in REE containing minerals, can be used to produce acid. Pyrite is utilized as a source to create ferric sulfate and sulfuric acid in the presence of A. Ferroxidans. Such microorganism-based bio-oxidation necessitates the establishment of optimal conditions for continual acid production. For efficient acid generation, additional optimization was done by varying residence time, solid percentage, and airflow rate. A step-by-step analysis and associated details are offered in this work, which used pyrite to create acid for leaching. For the bio-oxidation of pyrite with varying purity, an automated bioreactor was used. Scanning electron microscopy with energy-dispersive X-ray spectroscopy was used to examine the morphology and elemental content of bioleaching sediments. Eh and pH measurements were continuously done to ensure healthy operation of the bioreactors. The analysis suggested that, the Eh value in the range of ∼ 640–680 mV, pH range of ∼ 1.3–1.5 and residence time of 4–6 days with 6% solid feed are favorable conditions of operation.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2021

Experimental and numerical study of the effects of solution concentration and temperature on concrete under external sulfate attack

The work reports on an experimental programme, conducted to validate comprehensively our previously proposed coupled chemo-transport model for external sulfate attack on concrete. Specifically, the effects of the concentration of sulfate solution and temperature on the distribution of sulfate ions in concrete are experimentally investigated and used to demonstrate the accuracy of the modeling framework. Further, the profile of aluminate depletion and the leaching depth numerically are investigated. For all cases the model predictions are in good agreement with the experimental results, showing increases of the concentration of sulfate ions in concrete with higher concentrations of sulfate solution and higher temperatures. It is concluded that higher sulfate solution concentration and temperature enhance the processes involved in the external sulfate attack on concrete, namely diffusion of sulfate ions and their chemical reactions with concrete. It is found that these parameters affect the external sulfate attack predominantly via the chemical reaction process.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Strategies for control and mitigation of efflorescence in metakaolin-based geopolymers

Efflorescence can be harmful to material performance as a consequence of microstructural changes due to leaching and carbonation of alkalis. This article identifies mechanisms of efflorescence in metakaolin-based geopolymers, and approaches to reduce free/mobile alkali cations and pore network connectivity, and hence reduce efflorescence. Mechanical, mass transport and microstructural properties are assessed in metakaolin-based geopolymer cements produced using different alkali concentrations in the alkali activator and substitution/addition of blast furnace slag, silica fume, calcium aluminate cement, silicone oil and a dispersive admixture. The most effective strategy to reduce efflorescence results from increasing Si/Al in the geopolymer gel by addition of soluble silicate, silica fume or silicone oil. Addition of calcium aluminate cement or a dispersive admixture also reduce efflorescence, but are less effective. These results confirm that efflorescence may be reduced by controlling the amount of soluble silicates and reducing free alkali cations in geopolymers, providing enhanced performance and durability.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Aqueous Ni-rich-cathode dispersions processed with phosphoric acid for lithium-ion batteries with ultra-thick electrodes

Lithium-ion battery (LIB) production can benefit both economically and environmentally from aqueous processing. Although these electrodes have the potential to surpass electrodes conventionally processed with N -methyl-2-pyrrolidone (NMP) in terms of performance, significant issues still exist with respect to ultra-thick cathodes ($\gg$4 mAh/cm 2 areal capacities). A major concern for these types of electrodes with high-nickel active material stems from lithium leaching from active material, which drives the pH of the dispersion in excess of 12 and subsequently corrodes the current collector interface. As this corrosion reaction proceeds, hydrogen generation at the interface creates bubbles which cause severe cracking in the dried electrode surface. When areal loadings are increased, this effect becomes more pronounced and is detrimental to both mechanical and electrochemical properties of these electrodes. In this work, a technique for mitigating corrosion at the current collector by adjusting the pH of the dispersion with the addition of phosphoric acid is investigated. Phosphoric acid was added in 0.5 wt% increments between 0.0 and 1.5 wt%, and effects on rheology, adhesion, corrosion, and electrochemical performance were investigated. A technique is reported for producing aqueous processed cathodes with areal loadings of 6–8 mAh/cm 2 with reduced surface cracking and superior high-rate discharge capacity (i.e. high-power performance) for this class of cathode loadings.

25 ENERGY STORAGE↗
DOE OSTI2023

Chemical durability and corrosion-induced microstructure evolution of compositionally complex titanate pyrochlore waste forms with uranium incorporation

Chemical durability of compositionally-complex rare-earth titanate pyrochlore solid solutions with or without uranium incorporation was investigated by semi-dynamic leaching testing. A Ti-enriched amorphous passivation film formed on the surface due to the surface alteration-reorganization mechanism with preferential release of the weakly oxygen-bonded rare earth elements. Elemental release was found to be strongly correlated with chemical disorder, with a negligible correlation with entropy. The release rate of the uranium gradually decreased with increasing numbers of components, implying a possibility of designing and optimizing waste form performance with enhanced chemical durability by controlling composition complexity and chemical disorder for effective nuclear waste management.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗