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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Leveraging operational information from wastewater injection wells to evaluate CO 2 injection performance for carbon storage applications in the Appalachian Basin

Abstract Geologic parameters, geophysical logging, injection testing, and operational metrics from wastewater injection wells were integrated to develop a preliminary design of a carbon storage facility in the Appalachian Basin. A scattered group of 10–20 commercial wastewater injection wells dispose off produced water from oil and gas wells in the region, utilizing a sequence of stacked deep saline formations for injection zones. These wastewater injection wells provide practical benchmarks for understanding the feasibility of carbon dioxide (CO 2 ) storage. Geologic models were developed based on characterization data from the wastewater injection wells. Reservoir simulations were calibrated according to injection testing and operational data from the wastewater injection wells. Long‐term operational data on injection flow rates and pressures measured in the wastewater injection wells were especially useful to evaluate the performance of carbon storage applications. The simulations were used to estimate injection pressures, radius of CO 2 saturation, and pressure response for industrial scale CO 2 storage applications. Results were also used to provide a design basis in terms of number of injection wells, well spacing, area of review, injection system components, monitoring plan, and CO 2 pipeline distribution system. The analysis demonstrates that there is sufficient injectivity in the deep saline formations in the west‐central Appalachian Basin to store commercial volumes of anthropogenic CO 2 . The geologic system appears suitable for supporting CO 2 injection rates of 0.5–1.0 million metric tons per year at injection pressures below formation fracture pressure in a single well. The long‐term operational data of wastewater injection wells within the study area suggested a lower permeability‐thickness values than indicated by initial reservoir tests. A workflow for developing realistic permeability values for input into reservoir simulations is presented. © 2020 Society of Chemical Industry and John Wiley & Sons, Ltd.

Valluri, Manoj↗
DOE OSTI2024

Ion Exchange Processes for CO 2 Mineralization Using Industrial Waste Streams: Pilot Plant Demonstration and Life Cycle Assessment

Abstract An attractive technique for removing CO 2 from the environment is sequestration within stable carbonate solids (e. g., calcite). However, continuous addition of alkalinity is required to achieve favorable conditions for carbonate precipitation (pH>8) from aqueous streams containing dissolved CO 2 (pH<4.5) and Ca 2+ ions. In this study, a pH‐swing process using ion exchange was demonstrated to process 300 L of produced water brine per day for CO 2 mineralization. Proton titration capacities were quantified for aqueous streams in equilibrium with gas streams at various concentrations of CO 2 (pCO 2 =0.03–0.20 atm) and at various flow rates (0.5–2.0 L min −1 ). Energy intensities for the process were determined to be between 30 and 65 kWh per tonne of CO 2 sequestered depending on the composition of the brine stream. A life cycle assessment was performed to analyze the net carbon emissions of the technology which indicated a net CO 2 reduction for pCO 2 ≥0.12 atm (−0.06–−0.39 kg CO 2 e per kg precipitated CaCO 3 ) utilizing calcium‐rich brines. The results from this study indicate the ion exchange process can be used as a scalable method to provide alkalinity necessary for the capture and storage of CO 2 in Ca‐rich waste streams.

Chemistry↗
DOE OSTI2021

Comparative geochemistry of flowback chemistry from the Utica/Point Pleasant and Marcellus formations

Flowback/Produced fluid samples were collected from several wells from two Utica/Point Pleasant (UPP) sites (UPPW and UPPS) in Ohio, and one Marcellus (Marcellus Shale Energy and Environment Laboratory (MSEEL)) site in West Virginia over a period of approximately two years. Although these formations have different ages, depositional environments, diagenetic histories, and geochemical and mineralogical compositions (i.e. the UPP is significantly more carbonate rich than the Marcellus which is more siliceous), analysis of trends in fluid species over time shows that, overall, the TDS and major solubilized elements (Na, Ca, Cl) in the UPP and Marcellus brines are remarkably similar. Total dissolved solutes (TDS) in these brines ranged from approximately 40 to 250 g/L salt, and in general, concentrations increased with time elapsed since natural gas well completion and stimulation. The behavior of Na, Br, and Cl suggests that the produced water signatures from these formations are largely derived from the native formational brines which display evidence of originating from evaporated seawater. There is a strong correlation between Cl and Br, indicating that both species behave conservatively, and the similarity among each of these brines suggests no appreciable contribution of salt from halite dissolution because Br is excluded from the halite structure. Cl/Br ratios in the brines range from ~80 to 120 (mg/L/mg/L). Other elements, such as K, which readily reacts between fluids and ion exchange sites on clays, generally exhibit conservative behavior for an individual site, but show significant variations among each of the different well pads. The concentrations of Sr and Ba vary dramatically among well sites, and increase with respect to Cl- over time, suggesting increasing solubilization, presumably from desorption from clay minerals or dissolution of carbonates or sulfates from the source formation(s). The UPPW well site has very low Ba due to high-sulfate input fluid, which resulted in precipitation of barite/celestite in the brines. In contrast the UPPS well site had elevated Sr (~ 3500 mg/L), presumably due to the use of Sr-rich recycled brine used in hydraulic fracturing. The Marcellus site had the highest Ba concentrations (up to 10 g/L) and highest Ba/Sr ratios in the fluids, due to the high concentration of barium in the Marcellus target (~ 1000 ppm, as compared to ~200 ppm in the UPP). These observations suggest that solutes in the FP fluids are derived from native brines, water-rock interactions that have occurred over geologic time scales, as well as some contribution from contemporaneous reactions in the subsurface. The results also show that the composition of the injected fluid can influence flowback fluid chemistry and possibly production efficiency.

58 GEOSCIENCES↗
DOE OSTI2024

Techno-economic feasibility of geothermal energy production using inactive oil and gas wells for district heating and cooling systems in Tuttle, Oklahoma

Oil and gas wells have been drilled in the United States and often encounter hot co-produced water possibly suitable for geothermal direct-use applications. Here this study evaluated geothermal resources, heating and cooling demand, and techno-economic potential of four oil and gas wells repurposed for geothermal energy production to serve two public schools and 250 nearby houses in Tuttle, Oklahoma, USA. Subsurface geology in the study area primarily consists of Permian to Mississippian sandstone and limestone formations approximately from 2 km to 3.5 km depth. With a geothermal gradient of 25.3 °C/km, the temperature of geothermal energy production was estimated as 68.2 °C at 2.1 km. The potential of calcite scaling within boreholes and pipes was minimal. Using the characterized reservoir properties, techno-economic analyses were conducted for evaluating levelized costs of geothermal energy production for direct-use heating and cooling and district heating systems with five different production scenarios. Heating and cooling demand in two schools and 250 houses and additional 0.3 MW and 0.6 MW base heating loads for potential geothermal direct-use applications in the study area were also incorporated in the modeling. Results indicated that the levelized cost of heating of geothermal district heating systems utilizing existing wells were significantly lower than those of conventional geothermal energy systems that include well drillings. The geothermal energy production with doublet and quartet configurations was generally sufficient to supply total annual heating demand in the district, while a peaking boiler was used to supply peak loads. Doublet configurations showed higher production temperature with a lower thermal drawdown than the quartet configurations. The doublet system at 2.1 km production depth with 9.3 kg/s flow rate represented the optimal levelized cost of $71/MWh and 91.2% utilization factor. These results imply that the Tuttle geothermal district heating system is techno-economically feasible and comparable to geothermal district heating systems in the United States and the regional natural gas rate for residentials by recycling inactive oil and gas wells with no drillings.

15 GEOTHERMAL ENERGY↗
DOE OSTI2025

Laboratory evaluation of cyclic underground hydrogen storage in the Temblor sandstone of the San Joaquin Basin, California

Underground Hydrogen Storage (UHS) in depleted oil and gas reservoirs could provide a cost-effective solution to balance seasonal fluctuations in renewable energy generation. However, data and knowledge on UHS at subsurface conditions are limited so it is difficult to estimate how effective this type of storage could be. In this study, we perform high pressure experiment to measure the effectiveness of cyclic hydrogen (H 2 ) storage in a specimen of Temblor sandstone retrieved from the San Joaquin Basin of California. Our experiment mimics reservoir pressure conditions to measure H 2 -brine relative permeability and fluid-rock interactions over the course of ten charging and discharging cycles. Initial gas breakthrough occurred at 15 % to 25 % H2 saturation in the specimen with 3 % NaCl brine as the resident fluid. Continuing injecting to 4 pore volumes (PV) of H 2 yielded an asymptotic H 2 saturation of 38 % to 41 %, a level often referred to as the irreducible gas saturation based on two-phase flow. The boundary condition in this study mimics the near wellbore region, which experiences bi-directional H 2 flow. This bi-directional flow led to evaporative drying of the specimen resulting in 94 % H 2 saturation at the end of 10th cycle. This indicates that cyclic flow and evaporative drying can lead to more efficient reservoir storage where a larger fraction of the reservoir porosity is usable to store H 2 . The produced gas stream consisted of H 2 mixed with 8 % to 22 % H 2 O, indicating formation dry-out by evaporation. Meanwhile, produced water chemistry indicated calcite and silicate dissolution, with calcite sourced from fossil fragments. This led to a loss of cementation and weakened the rock sample. Combined, our results indicate dry-out, compaction, increased H 2 saturation, rock weakening, and permeability loss during cyclic UHS. Overall, we anticipate that the combined effects should lead to higher than anticipated UHS storage efficiency per volume of sandstone reservoir rock.

08 HYDROGEN↗
DOE OSTI2020

Are we modeling the properties of unconventional shales correctly?

Technological advancements have led to impressive growth in hydrocarbon (HC) production from unconventional shale reservoirs. However, major limiting factors in shale gas development are i) low recovery of gas in place (<20%), (ii) a rapid decline in well productivity, iii) release of contaminants, despite the use of advanced hydraulic fracturing fluids and multiple fracturing stages. This is mainly due to a lack of understanding of the nanoscale physicochemical properties of shales, especially that of kerogen, the macromolecule that is not only the source of the majority of the HC’s in shales but also holds most of the HC’s in adsorbed state. Over the last few years, a large number of studies have been published on simulating the physicochemical properties of shale utilizing molecular models of kerogen. However, the molecular models of kerogen input into these simulations are based on the kerogen “type” derived from a very limited number of shale samples. In this paper, we examine the variations that can exist in kerogen structure within a particular kerogen “type” across different shale basins and single shale basin at similar thermal maturity levels. We propose that using kerogen “type” based structural models for molecular simulations could lead to inaccurate estimation of HC reserves, HC recovery, HC production, frackability, and quantity and quality of produced water. Our study highlights the need for developing a better classification of kerogen based on its “molecular structure” instead of “type” for a more accurate prediction of physicochemical properties of shales.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2023

Environmental impact of solution pH on the formation and migration of iron colloids in deep subsurface energy systems

Deep subsurface stimulation processes often promote fluid-rock interactions that can lead to the formation of small colloidal particles that are suspected to migrate through the rock matrix, partially or fully clog pores and microfractures, and promote the mobilization of contaminants. Thus, the goal of this work is to understand the geochemical changes of the host rock in response to reservoir stimulation that promote the formation and migration of colloids. Two different carbonate-rich shales were exposed to different solution pHs (pH = 2 and 7). In this study, iron and other mineral transformations at the shale-fluid interface were first characterized by synchrotron-based XRF mapping. Then, colloids that were able to migrate from the shale into the bulk fluid were characterized by synchrotron-based extended X-ray absorption structure (EXAFS), scanning electron microscopy (SEM), and single-particle inductively coupled plasma time-of-flight mass spectrometry (sp-icpTOF-MS). When exposed to the pH = 2 solution, extensive mineral dissolution and secondary precipitation was observed; iron-(oxyhydr)oxide colloids colocated with silicates were observed by SEM at the fluid-shale interfaces, and the mobilization of chromium and nickel with these iron colloids into the bulk fluid was detected by sp-icpTOF-MS. Iron EXAFS spectra of the solution at the shale-fluid interface suggests the rapid (within minutes) formation of ferrihydrite-like nanoparticles. Thus, we demonstrate that the pH neutralization promotes the mobilization of existing silicate minerals and the rapid formation of new iron colloids. These Fe colloids have the potential to migrate through the shale matrix and mobilize other heavy metals (such as Cr and Ni, in this study) and impacting groundwater quality, as well produced waters from these hydraulic fracturing operations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Synthesis and Blending of Two Poly(ethylene- co -vinyl alcohol) Polymers with Mixed 1,2-Diol Stereochemistry

Parallel pathways for the postpolymerization modification of double bonds in a polycyclooctene (PCOE) backbone generate vicinal 1,2-diol-containing polymers with mixed but opposite stereochemistry, depending on the trans:cis ratio of the C═C in PCOE. Beginning from the same batch of PCOE, epoxidation and subsequent ring-opening with sulfuric acid and water produce a polymer with the majority erythro diols, whereas an osmium-catalyzed dihydroxylation results in diols in the majority threo orientations. These postpolymerization modification approaches enable access to previously unexplored polymers with a mixture of erythro and threo diols, offering tunable diol stereochemistry to tailor material properties. The majority erythro diols lead to hexagonal crystallites with higher melting temperatures and overall crystallinity when compared to the majority threo diols that form monoclinic crystallites. When blended, the two diastereomers phase separate as evidenced by distinct melting endotherms and crystal structures corresponding to the two component polymers, suggesting a route to tune the barrier or mechanical properties. Furthermore, this investigation synthesized polymers with mixed stereochemical diols and elucidated the thermal and morphological properties of regioregular linear poly(ethylene-co-vinyl alcohols) and their blends.

1,2-diols↗
DOE OSTI2026

Membranes for Lithium Recovery From Conventional and Unconventional Sources

Lithium has been deemed a critical mineral of national importance that finds uses in a wide range of applications, and its demand has been rising significantly in recent years. The urgency of meeting this demand requires lithium extraction from various aqueous sources such as continental brines, geothermal brines, seawater, produced water, and battery waste. While direct lithium extraction (DLE) technologies such as adsorption, ion exchange, and solvent extraction have emerged as possible solutions, membrane technologies are also being investigated for various sources and at different stages of the recovery process. Here, we analyze the application of membranes for pretreatment of lithium source waters, bring management, lithium/magnesium separation, lithium/sodium separation, and lithium hydroxide conversion, and evaluate performance metrics for critical lithium separations from the literature. We explore the potential of membranes at every stage of the recovery process and describe their current status and future prospects. We describe hypothetical process trains with integrated membrane technologies for each source type and address their feasibility and challenges. The potential energy and water impacts of membrane-integrated and conventional DLE processes are also critically considered alongside performance and selectivity metrics, and this is illustrated using examples and calculated from published technical reports. This paper thus provides a comprehensive overview of the application of membranes along every stage of the lithium recovery process, emphasizing the versatility and potential of membrane technologies for critical mineral recovery.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Agentic workflow enables the recovery of critical materials from complex feedstocks via selective precipitation

We present a multi-agentic workflow for critical materials recovery that deploys a series of AI agents and automated instruments to recover critical materials from produced water and magnet leachates. This approach achieves selective precipitation from real-world feedstocks using simple chemicals, accelerating the development of efficient, adaptable, and scalable separations to a timeline of days, rather than months and years.

Ritchhart, Andrew J.↗
DOE OSTI2020

Resonant Inelastic X-Ray Scattering Reveals Hidden Local Transitions of the Aqueous OH Radical

Resonant inelastic x-ray scattering (RIXS) provides remarkable opportunities to interrogate ultrafast dynamics in liquids. In this work we use RIXS to study the fundamentally and practically important hydroxyl radical in liquid water, OH ( a q ) . Impulsive ionization of pure liquid water produced a short-lived population of OH ( a q ) , which was probed using femtosecond x-rays from an x-ray free-electron laser. We find that RIXS reveals localized electronic transitions that are masked in the ultraviolet absorption spectrum by strong charge-transfer transitions—thus providing a means to investigate the evolving electronic structure and reactivity of the hydroxyl radical in aqueous and heterogeneous environments. First-principles calculations provide interpretation of the main spectral features.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Predominance of Methanomicrobiales and diverse hydrocarbon–degrading taxa in the Appalachian coalbed biosphere revealed through metagenomics and genome–resolved metabolisms

Coalbed deposits are a unique subsurface environment and represent an underutilized resource for methane generation. Microbial communities extant in coalbed deposits are responsible for key subsurface biogeochemical cycling and could be utilized to enhance methane production in areas where existing gas wells have depleted methane stores, or in coalbeds that are unmined, or conversely be utilized for mitigation of methane release. Here we utilize metagenomics and metagenome-assembled genomes to identify extant microbial lineages and genome-resolved microbial metabolisms of coalbed produced water, which has not yet been explored in the Appalachian Basin. Our analyses resulted in the recovery of over 40 metagenome-assembled genomes (MAGs) from eight coalbed methane wells. The most commonly identified taxa among samples were hydrogenotrophic methanogens from the order Methanomicrobiales and these dominant MAGs were highly similar to one another. Conversely, low-abundance coalbed bacterial populations were taxonomically and functionally diverse, mostly belonging to a variety of Proteobacteria classes, and encoding various hydrocarbon solubilization and degradation pathways. Further, the data presented herein provides novel insights into Appalachian Basin coalbed microbial ecology, and our findings provide new perspectives on underrepresented Methanocalculus species and low-relative abundance bacterial assemblages in coalbed environments, and their potential roles in stimulation or mitigation of methane release.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Quantitative approaches for including equity in risk and resilience infrastructure planning analyses

Risk and resilience assessments for critical infrastructure focus on myriad objectives, from natural hazard evaluations to optimizing investments. Although research has started to characterize externalities associated with current or possible future states, incorporation of equity priorities at project inception is increasingly being recognized as critical for planning related activities. However, there is no standard methodology that guides development of equity-informed quantitative approaches for infrastructure planning activities. Here, to address this gap, we introduce a logic model that can be tailored to capture nuances about specific geographies and community priorities, effectively incorporating them into different mathematical approaches for quantitative risk assessments. Specifically, the logic model uses a graded, iterative approach to clarify specific equity objectives as well as inform the development of equations being used to support analysis. We demonstrate the utility of this framework using case studies spanning aviation fuel, produced water, and microgrid electricity infrastructures. For each case study, the use of the logic model helps clarify the ways that local priorities and infrastructure needs are used to drive the types of data and quantitative methodologies used in the respective analyses. The explicit consideration of methodological limitations (e.g., data mismatches) and stakeholder engagements serves to increase the transparency of the associated findings as well as effectively integrate community nuances (e.g., ownership of assets) into infrastructure assessments. Such integration will become increasingly important to ensure that planning activities (which occur throughout the lifecycle of the infrastructure projects) lead to long-lasting solutions to meet both energy and sustainable development goals for communities.

community-based↗
DOE OSTI2021

Pareto v1.0.0

An Optimization Framework for Produced Water Management and Beneficial Reuse

Beattie, KeithS↗
DOE OSTI2022

Microbial colonization and persistence in deep fractured shales is guided by metabolic exchanges and viral predation

Background: Microbial colonization of subsurface shales following hydraulic fracturing offers the opportunity to study coupled biotic and abiotic factors that impact microbial persistence in engineered deep subsurface ecosystems. Shale formations underly much of the continental USA and display geographically distinct gradients in temperature and salinity. Complementing studies performed in eastern USA shales that contain brine-like fluids, here we coupled metagenomic and metabolomic approaches to develop the first genome-level insights into ecosystem colonization and microbial community interactions in a lower-salinity, but high-temperature western USA shale formation. Results: We collected materials used during the hydraulic fracturing process (i.e., chemicals, drill muds) paired with temporal sampling of water produced from three different hydraulically fractured wells in the STACK (Sooner Trend Anadarko Basin, Canadian and Kingfisher) shale play in OK, USA. Relative to other shale formations, our metagenomic and metabolomic analyses revealed an expanded taxonomic and metabolic diversity of microorganisms that colonize and persist in fractured shales. Importantly, temporal sampling across all three hydraulic fracturing wells traced the degradation of complex polymers from the hydraulic fracturing process to the production and consumption of organic acids that support sulfate- and thiosulfate-reducing bacteria. Furthermore, we identified 5587 viral genomes and linked many of these to the dominant, colonizing microorganisms, demonstrating the key role that viral predation plays in community dynamics within this closed, engineered system. Lastly, top-side audit sampling of different source materials enabled genome-resolved source tracking, revealing the likely sources of many key colonizing and persisting taxa in these ecosystems. Conclusions: These findings highlight the importance of resource utilization and resistance to viral predation as key traits that enable specific microbial taxa to persist across fractured shale ecosystems. We also demonstrate the importance of materials used in the hydraulic fracturing process as both a source of persisting shale microorganisms and organic substrates that likely aid in sustaining the microbial community. Moreover, we showed that different physicochemical conditions (i.e., salinity, temperature) can influence the composition and functional potential of persisting microbial communities in shale ecosystems. Together, these results expand our knowledge of microbial life in deep subsurface shales and have important ramifications for management and treatment of microbial biomass in hydraulically fractured wells.

59 BASIC BIOLOGICAL SCIENCES↗