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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Informed Critical Mineral Recovery from Fossil Energy Waste Feedstocks

Critical minerals (CM), such as rare earth elements (REE), cobalt, nickel, and lithium, have important uses in modern energy and technologies, yet are vulnerable to potential supply chain disruptions. One potential domestic CM source is fossil energy wastes, such as coal combustion ash, acid mine drainage (AMD) and treatment solids (AMD solids), and Oil and Gas (O&G) drilling wastes (drill cuttings and produced waters). CM recovery from these feedstocks is promising due to their abundant quantity and fast availability as waste products. To develop informed and effective CM recovery, DOE’s National Energy Technology Laboratory (NETL) have collected and analyzed CM data for aforementioned fossil energy wastes, and utilized advanced geochemical characterization (e.g., synchrotron microprobe, sequential extraction and geochemical modeling) to identify the CM speciation and binding environments. Novel methods that recover multiple CMs while co-producing other valuable byproducts from these feedstocks have been developed. Successful examples include: (1) the discovery of easily mobile REE phases in Ca-rich coal combustion ash resulted in a patented REE recovery process from the ash feedstock while producing zeolite sorbents from the extraction wastes; (2) the successful identification of REE/Co/Ni/Zn hosting phases in acid mine drainage treatment solids (AMD solids) has informed the sequential CM recovery from AMD solids and has inspired lithium sorbent development from the extraction wastes; (3) the recovery potential of Li and other CMs in O&G produced waters and drill cuttings has been explored while the extraction residuals have been demonstrated to support plant growth as soil supplements. The innovations driven by characterization information have the potential to maximize CM recovery revenue, offset the cost of waste management and wastewater treatments while reducing the cost and environmental footprint of CM extraction.

characterization and extraction of rare earth elem↗
DOE OSTI2025

Enhancing the Value of Wasted and Stranded Natural Gas Resources Through Conversion Into Aromatics Using Microwaves

Natural gas flaring results in the waste of significant amounts of valuable domestic energy resources while also producing undesirable environmental impacts. Transforming natural gas into value-added chemicals via direct nonoxidative reactions presents a compelling alternative to flaring. However, traditional thermal reactor systems face challenges due to thermodynamic limitations and poor catalyst stability. Microwave-assisted reactions offer a sustainable, on-demand approach for chemical production from natural gas, suitable for compact, flexible reactor systems at the well-site that can be powered by renewable energy. This method offers a novel, non-traditional approach in catalyst activation and product selectivity compared to a conventional thermal method, potentially leading to faster rates, higher selectivities, and higher conversion efficiencies. Despite these advantages, challenges exist, such as the low microwave-sensitivity of the state-of-the-art zeolite catalyst that is highly active for the methane dehydroaromatization reaction. This presentation will discuss recent research from the National Energy Technology Laboratory concerning microwave-assisted natural gas conversion directly into aromatics. It will address the difficulties with microwave heating of traditional thermochemical catalysts, and the application of Multiphysics modeling to understand temperature and field strength in the reactor, to enhance chemical conversion. The presentation will also cover how heating aids can mitigate heating challenges and transform microwave catalysis into a quasi-thermal kinetic problem. Additionally, catalyst activation and deactivation under microwave conditions will be examined, along with the future outlook and needs for microwave enhanced catalysis applications.

catalysis↗
DOE OSTI2025

Influence of Mo- and Ga-Supported HZSM-5 Co-Catalyst Configuration in Microwave-Assisted Methane and Ethane Dehydroaromatization

Microwave (MW)-assisted dehydroaromatization (DHA) using an Mo-supported HZSM-5 catalyst (Mo/HZSM-5) enhances the value of natural gas resources by converting stranded or underutilized natural gas into value-added chemicals in modular microwave reactor systems. This approach offers the potential to generate economic value. However, natural gas mixtures often contain multiple components, including ethane (C2H6) and propane (C3H8), which complicate the reaction pathways. Ga-supported HZSM-5 (Ga/HZSM-5) catalysts are generally inactive toward CH4 but exhibit higher activity toward C2H6 and C3H8. Therefore, investigating the combination of Mo/HZSM-5 and Ga/HZSM-5 in various catalyst bed configurations is essential. This study explores different co-catalyst bed configurations and CH4/C2H6 feed compositions to determine the most effective way for enhanced natural gas conversion and benzene production.

cocatalyst bed configuration↗
DOE OSTI2024

Evaluating Compliance Inspection Data to Understand Emissions from Marginal Conventional Oil & Gas Wells in New York State

It is estimated that over half (~66%) of active oil and gas wells are marginally productive, producing less than 15 barrels of oil equivalent per day. This presentation showcases an evaluation of New York State compliance inspection reports and discusses the current capabilities of machine learning to identify high-risk MCWs that could be targeted during methane emission reduction efforts and future model deployments. Findings are valuable to the New York Department of Environmental Conservation and other state oil and gas regulatory agencies seeking to prioritize the spending of Methane Emission Reduction Program funds to plug marginal conventional wells with emissions.

compliance inspection data↗
DOE OSTI2026

NG-CT Peaker Upgrades with Bottoming Cycle: Preliminary Analysis

The National Energy Technology Laboratory (NETL) has conducted a preliminary analysis exploring a significant opportunity to increase the nation's power grid capacity and reliability. The study focuses on retrofitting under-utilized natural gas combustion turbines (NG-CTs), often called "peaker" plants, with a bottoming cycle to capture waste heat and generate additional electricity. This analysis shows that upgrading these existing assets could add approximately 26,250 MW of new power capacity across the United States. A detailed study of the PJM Interconnection, the nation's largest grid operator, confirmed the benefits of these upgrades. Key findings for the PJM region include: - A median increase in the plants' capacity factor by 17 percentage points. - A projected 36.2% median reduction in the levelized cost of electricity (LCOE) for the upgraded plants, with nearly 88% of them expected to break even. - An average reduction in the regional wholesale price of electricity by approximately 3.0% in the year 2030. - A significant boost to grid reliability, with a 46% reduction in projected Loss of Load Hours (LOLH). These findings suggest that retrofitting peaker plants is a promising and economically viable strategy to enhance grid performance, reduce electricity costs, and meet future demand without the challenges associated with building entirely new facilities.

bottoming cycle↗
DOE OSTI2026

Two-Way Coupled CFD/DEM Simulation of Electromagnetic Heating in a Fluidized Bed Reactor

A set of tools has been developed to couple a multiphase reacting computational fluid dynamics solver (MFIX) with two computational electromagnetic solvers (COMSOL and Elmer). In contrast to several recent investigations, which calculate a single static EM field prior to the CFD calculation, in the present work the electromagnetic field is periodically updated during the simulation. This enables the EM field and associated EM heating predictions to reflect the effects of evolving material properties (temperature, composition, size etc.) and the evolving distribution of material in the system. The present work uses effective medium theory (EMT) for the electromagnetic field calculations since the goal is to apply the tool for industrial scale reacting systems. Predictions using MFIX/COMSOL and MFIX/Elmer are compared to in bed thermocouple measurements from a fluidized bed experiment and recent simulation predictions and recent experiments performed at NETL. The NETL experiments also include packed bed operating conditions. Coupled MFIX/COMSOL simulations at these conditions are compared with similar simulations using only COMSOL to measure errors due to the solver coupling approach.

CFD↗
DOE OSTI2025

Fabrication and Scale-Up of Porous Polybenzimidazole (PBI) Supports for Gas Separation Composite Membranes

Industrial gas separation often uses thin film composite (TFC) membranes comprising a porous support overlaid with a single-/multi-layer gas-selective thin film. An optimal porous support should possess high surface porosity to minimize gas transport resistance and nano-sized pores to ease pore penetration occurring during the thin film coating process. Good chemical and thermal stabilities are essential to withstand the aggressive solvents and heat required for the thin film coating and curing. However, few porous membranes satisfy all these requirements. This study presents a scalable membrane formation method of making highly porous polybenzimidazole (PBI) supports via non-solvent induced phase separation. This presentation also details the scale-up fabrication of PBI supports using a custom roll-to-roll membrane casting machine.

gas separation↗
DOE OSTI2026

Two-Way Coupled CFD/DEM Simulation of Electromagnetic Heating in a Fluidized Bed Reactor - Extended Abstract

A set of tools has been developed to couple a multiphase reacting computational fluid dynamics solver (MFIX) with two computational electromagnetic solvers (COMSOL and Elmer). In contrast to several recent investigations, which calculate a single static EM field prior to the CFD calculation, in the present work the electromagnetic field is periodically updated during the simulation. This enables the EM field and associated EM heating predictions to reflect the effects of evolving material properties (temperature, composition, size etc.) and the evolving distribution of material in the system. The present work uses effective medium theory (EMT) for the electromagnetic field calculations since the goal is to apply the tool for industrial scale reacting systems. Predictions using MFIX/COMSOL and MFIX/Elmer are compared to in bed thermocouple measurements from a fluidized bed experiment and recent simulation predictions and recent experiments performed at NETL. The NETL experiments also include packed bed operating conditions. Coupled MFIX/COMSOL simulations at these conditions are compared with similar simulations using only COMSOL to measure errors due to the solver coupling approach.

CFD↗
DOE OSTI2025

A real-time distributed solid oxide electrolysis cell (SOEC) model for cyber-physical simulation

System integration and dynamic operability between SOEC and balance-of-plant (BoP) components are major technical challenges before realizing rapid load following of SOEC systems. Cyber-physical simulation (CPS) is a leading-edge digital engineering approach and is regarded as the next step beyond Digital Twins. CPS approach can be used to research SOEC system integration and develop dynamic controls prior to actual pilot testing without using a real SOEC. To seamlessly couple with BoP hardware and access non-observable operational parameters (e.g., local temperature gradient) during transients, a distributed one-dimensional (1D) real-time SOEC model was developed. Its real-time execution was demonstrated for 20 to 640 nodes at the fixed time step of 5 ms. A higher excess air ratio enabled smaller local temperature gradients on SOEC solid materials and faster transients upon current density step change from 0.15 to 0.55 A cm -2 . During the transients, the magnitude of the peak temperature gradient nearly doubled in 10 s from -3.5 to -5.9 °C cm -1 . This represents a significant operating risk that can impact the dynamic operability of SOEC systems. In addition, the local temperature gradient was found to change directions on all nodes in SOEC solid materials, with the greatest impact on the upstream nodes. The SOEC model was also tested at the thermal neutral voltage using actual process air flow parameters as variable model inputs. Variable process air temperatures were found to induce alternating local temperature gradients on SOEC solid materials. These are new operational mechanisms for SOEC degradation relevant for load following operational modes yet distinct from previous reports. To mitigate these unfavorable features, the SOEC can be operated at voltages that are slightly (±20 mV) deviated from the thermal neutral voltage. Here, the corresponding net thermal energy change was less than 1.6% of the electric power consumption. This 1D real-time SOEC model established the basis of cyber-physical simulation of SOEC hybrid systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Selective recovery of native copper from basalt tailings using alkaline glycinate solution

Mafic and ultramafic rocks present an intriguing pathway for CO 2 capture through strategic enhancements to the natural silicate weathering cycle. Simultaneously, these rock types are often hosts to appreciable amounts of metals critical to U.S. energy independence, particularly in the context of alkaline mine tailings from historical metal mining. The research and scientific prerogative, then, is to identify promising mafic and ultramafic feedstocks and conduct exploratory studies to effectively recover these critical minerals while preserving the potential for mineral carbonation. The Keweenaw Peninsula of Michigan hosts the largest native Cu reservoir within basalt in the world and experienced a rich history of Cu production spanning from pre-historic times to the mid-1900s. Today, much of the Cu mining legacy remains as mine waste tailings. In this study, we examined the Cu extractability from Keweenaw Basalt tailings using a sodium glycinate solution, in comparison with acid and sodium hydroxide leaching. Experimental results showed an 85 % Cu extraction rate using sodium glycinate as the extraction solution with negligible release of other cations from the basalt. The kinetic and extraction mechanisms of Cu selective recovery using glycinate solution were discussed using time-resolved experimental data and kinetic geochemical modeling. Theoretical estimation of carbon mineralization potential of all the existing basalt waste tailings (∼500 million tons) can reach 85.5 MMT CO 2 . A total of 0.786 MMT Cu can be recovered with sodium glycinate, with a value of 7.7 billion USD. In conclusion, this novel application of alkaline glycinate for selective Cu recovery from basalt mine tailings demonstrates the viability of selective metal recovery using a non-hazardous chemical while preserving CO 2 capture potential and presents a potential pathway toward reducing energy-related emissions and providing an unconventional domestic source of critical minerals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Beta-Amino Carboxylate (BAC) non-aqueous physical solvents for enhanced CO2 separations in pre-combustion carbon capture, industrial CO 2 capture, and biogas upgrading processes

Novel beta-amino carboxylate (BAC) solvents have been synthesized and tested to efficiently capture carbon dioxide (CO 2 ) from process gas streams with CO 2 partial pressure intermediate between pre-combustion and post-combustion capture. The BAC solvents have molecular structures characterized by alkyl-substituted amides or esters containing a secondary amine functional group on the second carbon from the carbonyl carbon (referred to as the beta “β” carbon). The ester or amide functional group combined with optimal steric crowding around the amine nitrogen by proximate alkyl groups are tailored to modify the strength of CO 2 binding in the solvent. The solvents possess high CO 2 solubilities and high gas selectivity including good CO 2 /H 2 O selectivity and can be utilized for CO 2 absorption over a range of partial pressures. Due to low volatility, many of the solvents can be operated at or above ambient temperature which eliminates solvent chilling and allows regeneration using low grade waste heat. These novel solvents offer an opportunity for efficient carbon capture for a range of applications including biogas upgrading, hydrogen production, and pre-combustion carbon capture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Disentangling the gap between pure and mixed-gas performance of thin film composite membranes through improved cell design and testing methods

Testing thin film composite (TFC) membrane coupons at low stage-cuts (≤5%) in a sweep-gas permeation system is a common practice to obtain mixed-gas separation properties for benchmarking performance and making scale-up decisions. However, even under these idealized conditions, mixed-gas permeance and selectivity can be more than 30% lower than their pure-gas values, partially due to concentration polarization, an effect that typically intensifies with increased membrane permeance. This study investigates the effect of cell design on mixed-gas testing using PolyActive TM TFC membranes with pure-gas CO 2 permeance of 1700 – 3100 gas permeance unit (GPU), covering the permeance range of most state-of-the-art CO 2 /N 2 separation membranes. Here, we designed and 3D-printed a counter-current permeation cell with enhanced feed and sweep flow efficiency, resulting in a 33 – 41% increase in mixed-gas CO 2 permeance compared to traditional permeation cells. Furthermore, we compared sweep-gas and vacuum permeation methods using traditional permeation cells, revealing that the latter delivers 41% higher mixed-gas CO 2 permeance, because vacuuming effectively minimizes the downstream concentration polarization. These findings highlight the importance of cell design and permeation apparatus selection in lab-scale mixed-gas testing, with strong implications for module design and process optimization at the industrial scale.

mixed gas performance↗
DOE OSTI2026

Insights from Initial Engineering Designs of Point Source Capture at Industrial Facilities

Initial engineering design studies examining the application of state-of-the-art carbon capture technology at industrial plants contain generally overlooked real-world design considerations for near-term deployment of point source capture (PSC). The implementation of PSC across a wide range of industrial applications presents unique challenges associated with fluctuating CO<sub>2</sub> concentrations, flue gas composition, and utility and land availability. In this article, seven recent industrial retrofit PSC projects are reviewed to investigate the impact of site-specific factors on project design and cost. Across the seven projects, three capture technology classes and four industrial applications are considered, allowing insight into industry-specific opportunities for PSC technology synergy. Common challenges across projects and proposed design solutions are highlighted to propagate ideas and solutions to close the technology gaps and accelerate learning rates.

FEED Studies↗
DOE OSTI2025

Vacancy-Dependent Diffusion Mechanism in Oxygen-Defective SrFeO 3 Perovskite Materials: First-Principles Density Functional Theory and Experimental Approach

Understanding oxygen diffusion at the atomic scale in SrFeO 3−δ perovskites is crucial for developing oxygen storage materials with optimal performance. Such materials are required to have high stability, corrosion resistance, and acceptable oxygen storage capacity at moderate operating temperatures and pressures. Here, in this study, we used first-principles density functional theory and thermogravimetric analysis to study the vacancy-dependent oxygen diffusion in oxygen-deficient SrFeO 3−δ (δ = 0, 0.065, 0.125, 0.25, 0.5) perovskites. The electronic structures, including the partial- and spin-resolved density of states, for different SrFeO 3−δ phases were calculated and compared with available experimental and theoretical results. By mapping the migration pathways, we investigated diffusion mechanisms and calculated the energy barriers for oxygen diffusion in cubic, orthorhombic, and brownmillerite phases of SrFeO 3−δ perovskites. Using the calculated energy barriers, we deduced the diffusion time scales and diffusion coefficients within SrFeO 3−δ . A diffusion coefficient on the order of 10 –8 m 2 /s was obtained for SrFeO 2.875 . We experimentally investigated the roles of temperature and oxygen partial pressures on the redox kinetics and deduced the kinetics rate and diffusion density, which agreed well with the calculated values for the density of diffusing oxygen vacancy in the lattice. Our results showed that the energy barrier tends to reduce at higher oxygen concentrations. Our results serve as an important guideline for designing oxygen storage materials with optimal redox kinetics.

chemical looping with oxygen uncoupling (CLOU)↗
DOE OSTI2025

Novel anaerobic selenium oxyanion reducers native to FGD wastewater for enhanced selenium removal

Biological treatment is a recognized approach for removing selenate and selenite oxyanions present in flue gas desulfurization (FGD) wastewater. However, the knowledge of the specific microbial species or communities responsible for reducing water-soluble selenium oxyanions to insoluble elemental selenium remains limited. In addition, the selenium oxyanion reduction genes and pathways have yet to be understood in these wastewaters. This study characterizes selenium oxyanion-reducing bacteria (SeRB) native to FGD wastewater, and the resulting elemental selenium particles formed. By selecting native SeRB microbes in a defined media, a novel resolution of these organisms has been achieved. This research identifies previously unrecognized selenium oxyanion-reducing capabilities in Anaerosolibacter, alongside predominant SeRB from Mesobacillus and Tepidibacillus genera. This work encompasses both 16S and metagenomic techniques to recover novel metagenome-assembled genomes, distinct to this environment. The biogenic selenium produced by these organisms was predominantly of elemental selenium, either amorphous or with a hexagonal structure. This study identifies the SeRB present in FGD wastewater and characterizes their selenium products, offering crucial insights to enhance the efficiency of biological treatment strategies and the potential of selenium recovery from this industrial waste.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Phase-field modeling of orientation-dependent crack growth in ductile single crystals with anisotropic elasticity

Crack growth in ductile single crystals (DuSCs) is orientation dependent due to the anisotropies of crystal plasticity and elastic tensor. This study develops a phase-field model incorporating both crystal plasticity and crack growth and proposes a general method to decompose the elastic energy into compressive and tensile parts to prevent crack growth under compression in the phase-field description. The phase-field model, in combination with three Euler angles, is employed to simulate orientation-dependent crack growth in DuSCs. The contributions from crystal plasticity and anisotropic elasticity are compared, and the former is found to dominate in the anisotropy of crack growth in copper single crystals. Furthermore, the simulation results demonstrate that crystal orientation strongly affects the heterogeneous distribution of plastic strain and the interaction between plastic strain and crack growth. High-throughput phase-field simulations are performed with exhaustive crystal orientations, and the results are explained based on the anisotropy of the Taylor factor.

Computational Solid Mechanics↗