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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Transmission Interconnection Roadmap: Transforming Bulk Transmission Interconnection by 2035

The U.S. electricity system is amid a rapidly occurring and widespread energy transition. Regional, Tribal, state, and customer demand for new energy resources, combined with favorable policies, is driving a rapid rise of interconnection requests. Interconnection processes will need to evolve to handle this larger number of requests today and into the future, as policy and economic drivers continue to motivate significant resource development. This roadmap identifies and organizes nearer- and longer-term solutions to enable transmission interconnection processes to meet this expected demand, and it is intended for a diverse audience of stakeholders participating within transmission interconnection processes. The roadmap is a result of the Interconnection Innovation e-Xchange (i2X) program launched by the U.S. Department of Energy (DOE) in June 2022 to convene stakeholders and address interconnection challenges. The roadmap is organized into four primary goal areas, each important to the overall i2X mission to enable a simpler, faster, and fairer interconnection of clean energy resources while enhancing the reliability, resiliency, and security of our electric grid. The first goal aims to improve interconnection data transparency, to aid interconnection customers’ ability to screen and site potential projects, better enable third-party modeling, facilitate more process automation, enhance competition while ensuring equitable outcomes, and enable benchmarking, tracking, and auditing of interconnection processes and reforms. The second goal covers solutions to improve queue management practices, affected system studies, fair processes, and workforce development. The third goal incorporates solutions that aim to improve cost allocation, reduce costs to electricity consumers, enhance the coordination between transmission planning and the interconnection process, and optimize the rightsizing of transmission investment through improvements in interconnection studies. The fourth and final goal aims to reduce the performance issues not identified during interconnection studies by updating technical requirements within interconnection studies, models, and tools while also improving industry interconnection standards.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Real-time observation of the exchange process between H 2 O and NO in the metal–organic framework Ni-MOF-74

Molecular exchange is a common step occurring in many technological processes such as competitive adsorption, chemical separation, capture, delivery, and release. However, the underlying principle is not fully understood, especially in nanoconfined environments where the energetics and kinetics of such processes can deviate from that on flat surfaces. In this study, we unravel the mechanism of a molecular exchange process by studying the displacement of NO by H 2 O in Ni-MOF-74 in real-time using in situ infrared spectroscopy combined with ab initio calculations. We show that weakly bound H 2 O gradually displaces strongly bound NO on the metal sites by first weakening the M–N bond through forming H-bond and then moving the NO away so that it eventually desorbs. Interestingly, we further find that additional water facilitates this exchange by significantly lowering the kinetic barrier associated with this process as well as the overall energy of the final state. Although our study focuses on Ni-MOF-74, we believe that our finding and explanation of unexpected exchange phenomena—where strongly adsorbed molecules are apparently easily displaced by much weaker bound H 2 O—is applicable to a much larger group of frameworks and will be helpful in designing and improving MOFs for real-world applications where humidity is often present.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Synergistic Thermo-Microbial-Electrochemical (T-MEC) Approach for Drop-In Fuel Production from Wet Waste

This project successfully developed and demonstrated the synergistic thermo-microbial-electrochemical (T-MEC) process, converting food waste into sustainable biofuels while achieving self-sustaining wastewater treatment and hydrogen production. By integrating hydrothermal liquefaction (HTL) and microbial electrolysis cells (MECs), the project advanced waste-to-fuel technology and expanded the understanding of sustainable waste valorization. It established a scalable framework for achieving high carbon efficiency, effective pollutant removal, and energy recovery, showcasing the potential of combining biological, thermal, and electrochemical systems to optimize resource recovery and reduce environmental impacts. The project demonstrated the technical effectiveness of the T-MEC process, achieving over 50% improvement in carbon efficiency and reducing waste processing costs by more than 25% compared to anaerobic digestion (AD). The HTL pilot reactor processed food waste at 90 kg/h, producing up to 200 L/day of biocrude oil with high conversion efficiency. A critical desalting step in pretreatment prevented catalyst fouling, enabling efficient hydrotreating with 100% deoxygenation and denitrogenation and sulfur reduction to <15 ppm. This positioned the kerosene fraction as a strong candidate for sustainable aviation fuel (SAF). The MECs achieved rapid startup, 86.4% COD removal, and hydrogen production rates of 1.8 L H 2 /L cat /day, among the highest recorded for pilot-scale systems. The integrated process achieved 65% carbon efficiency to biocrude and 58% to finished fuels, outperforming AD's 41% and 33% efficiencies for biogas and natural gas vehicle fuels. System analysis highlighted economic potential, with minimum fuel selling prices (MFSP) decreasing from $\$$25/GGE at 5 tpd to $\$$10/GGE at 500 tpd due to economies of scale. Future work will focus on reducing MEC material and membrane costs, enhancing performance through higher current densities, and creating tailored operational strategies for diverse feedstocks. Optimization of the integrated system will improve scalability and feasibility, positioning the T-MEC process as a competitive solution for converting wet waste into sustainable fuels and clean water. Beyond its technical and economic achievements, the project offers significant public benefits. The T-MEC process provides a sustainable alternative to landfilling and incineration, reducing greenhouse gas emissions and conserving resources. Converting waste into SAF and renewable fuels supports decarbonization in the transportation sector, advancing energy independence and reducing reliance on fossil fuels. Additionally, the process minimizes environmental pollutants, transforming them into valuable products like hydrogen and fuels, contributing to a cleaner and more sustainable future.

09 BIOMASS FUELS↗
DOE OSTI2023

A Limit to Accelerated Free-Sintering: Nano-Phase Separation Interferes With Organic Debinding

Nano-phase separating Ni–12 at. pct Ag powders are processed via high-energy ball milling and brought into a supersaturated state with a reduction of the grain size to the nanocrystalline scale, a combination that is designed to encourage rapid densification by phase separation upon heating. This unstable powder is then characterized by dilatometry, in-situ x-ray diffraction, thermogravimetry and microstructure analysis for sintering cycles up to 940 °C. However, these powder compacts exhibit excessive pore evolution and significant macroscopic swelling caused by removal of the organic process additives. This competition of organic removal with densification is known in nanocrystalline metals, but the present study adds an additional dimension of phase separation, which shifts the dominant swelling mechanism as the formation of the second phase traps the volatilizing organics and hinders the debinding process. The creep swelling and overall loss in relative density is then dominated by the creep deformation of the second Ag phase. The interference between organic removal and low-temperature onset of consolidation represents a new challenge to efforts aimed at rapid free sintering and should guide the design of rapidly sintering alloys; specifically, the present work emphasizes the need to select alloys that have their sintering-accelerating phase separation temperature above the range where gases are evolved.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Techno‐economic feasibility analysis of engineered energycane‐based biorefinery co‐producing biodiesel and ethanol

Abstract High feedstock cost and low oil yields per unit of land from temperate oilseed crops limit the growth of commercial‐scale biodiesel production. Recently, highly productive crops, such as sugarcane and energycane, have been engineered to accumulate triacylglycerides (TAGs) that allow the production of far more industrial vegetable oil than previously possible. A proof‐of‐concept suggests that biodiesel production from engineered energycane will be possible. However, before making efforts for scale‐up, it is critical to understand the commercial feasibility and economic competitiveness of this process. This study performs techno‐economic analysis of a unique biorefinery processing energycane to co‐produce biodiesel and ethanol. Comprehensive process simulation models were developed for two scenarios: (i) biodiesel from TAGs and ethanol from fermentation of sugars in juice and (ii) biodiesel from TAGs and ethanol from fermentation of sugars in juice and hydrolysis of carbohydrates in bagasse. Based on the target levels, the analysis was performed for energycane containing 0%, 5%, and 7.7% TAGs (d.b.). The biodiesel from engineered energycane was found economically viable and competitive to soybean biodiesel. Although the capital investment is higher compared to the soybean biodiesel plant, the biodiesel production costs ($0.66–$0.9/L) were lower than soybean biodiesel ($0.91/L). Biorefinery‐scenario‐1 processing energycane containing 7.7% TAG produces biodiesel with profitability (IRR 7.84) slightly lower than soybean biodiesel (IRR 8.3), but yields five times of biodiesel per unit land and is self‐sustainable for energy requirements. The surplus electricity can displace fossil electricity and provide environmental benefits. Monte Carlo simulation indicated that biorefinery is profitable with a 29%–65% probability (NPV > 0) which is largely controlled by feedstock composition and biodiesel market price. It is important to note that energycane can be grown on the marginal rainfed lands in S.E. USA, where soybean would not be viable. Biodiesel from engineered energycane would therefore be complementary to soydiesel in the United States.

09 BIOMASS FUELS↗
DOE OSTI2021

Effective CH4/N2 Separation using NU-1000 at High Pressures

Separation of methane (CH4) from other gases is of significant importance to reducing greenhouse gas emissions. In particular, the development and discovery of efficient adsorbents under pressure swing adsorption (PSA) conditions is a focus many research papers. We evaluated the potential of CH4/N2 separation performance using four adsorbents, including zirconium-based metal organic frameworks (NU-1000, UiO-66, and UiO-67) and a conventional adsorbent, zeolite-13X. Among them, NU-1000 presented high CH4/N2 selectivity (2.8) at 15 bar through ideal adsorbed solution theory because it has micro- and mesopores coupled with the large surface area, and a polar hydroxyl group along the pore surface. NU-1000 has a large CH4 working capacity (4.79) under PSA processes. These results demonstrated that NU-1000 is a sufficiently competitive adsorbent in PSA processes for CH4/N2 separation.

MOFs, NU-1000, separation↗
DOE OSTI2026

Biomanufacturing and Scale-Up: Pathways to Biochemicals, Biofuels, and Biomaterials

Advancing the bioeconomy requires the development of large-scale microbial bioprocesses capable of converting waste carbon streams into biofuels, biochemicals, and biomaterials at industrially relevant scales. While biomanufacturing has been successfully demonstrated at the laboratory scale for a wide range of chemicals, only a few have reached industrial-scale production. This is partly due to the inherent complexity of microbial systems, which rely on living cells with intricate metabolic pathways that are highly sensitive to environmental changes, making large-scale production difficult to optimize and predict. As a result, scaling-up bioprocesses remains a high-stakes challenge that requires deeper exploration. This involves integrating feedstock and microbial selection, upstream and downstream processes, and computational modelling, among other research efforts. Bulk and specialty chemicals derived from biological processes also face competition from fossil-based production routes, which have been refined through decades of technological advancements. While biologically derived molecules may offer more environmentally friendly production pathways than traditional chemical manufacturing, their widespread adoption depends on achieving cost parity-or superiority-relative to fossil-based methods. This emphasizes the importance of holistic research, including techno-economic analyses and life cycle assessments, to ensure both economic viability and environmental sustainability. This editorial and special issue explores state-of-the-art strategies for converting waste carbon sources into valuable products. It discusses how enzymes, single microbes (e.g., extremophiles), and microbiomes (e.g., through division of labor) can be integrated with upstream and downstream process innovations-such as consolidated bioprocessing and in situ product recovery-to improve the efficiency and scalability of biomanufacturing. The editorial further highlights the role of computational modelling in understanding, predicting, and controlling bioprocess performance across scales, and concludes by emphasizing the importance of techno-economic modelling to identify technologies that can move to market.

09 BIOMASS FUELS↗
DOE OSTI2020

Intensified Co-electrolysis Process for Syngas Production from Captured CO 2

CO 2 reduction to syngas provides a way of ameliorating carbon footprint and storing energy in high-energy-density and versatile feedstock. This current work explores the isothermal integration of CO2 capture with an intensified unit operation for the reduction of CO2 and capture media regeneration. Intensified captured CO2 co-electrolysis (ICC) to syngas (H2:CO ratio of 2) with low CO2 content (<10%) was demonstrated with over 70% CO2 conversion at a current density up to 0.20 A/cm2 for 14 hours of operation. Integration of the co-electrolysis unit with CO2 capture was performed feeding pure and diluted CO2, for which CO2 conversions >65% were observed. Performance of the capture unit becomes critical to maintain syngas ratios (SR). Technology feasibility was assessed through comparative techno-economic and life cycle analysis showing that process intensification enables competitive performance, even at the higher energy consumption featured at the current state of the technology. This because several unit operations can be avoided. LCA also showed that based on the current US electricity mix the reduction of life cycle CO2 emissions is possible at scenarios observed with 0.15 A/cm2 to accomplish a carbon-negative technology.

08 HYDROGEN↗
DOE OSTI2025

Revealing Parallel Inter‐ and Intra‐Ligand Charge Transfer Dynamics in [Ru(L) 2 (dppz)] 2+ Molecular Lightswitch with N K‐Edge X‐Ray Absorption Spectroscopy

In photoactive metal complexes the localization of photoexcited charges dictates the site of chemical reactivity, but few studies measure the charge redistribution in these systems with spatial precision. Herein, we track the inter- and intra-ligand charge transfer processes that underpin light-driven charge separation in the well-studied “molecular lightswitch” [Ru(bpy) 2 dppz] 2+ (aqueous [Ruthenium II (2,2′-bipyridine)2(dipyrido[3,2-a:2′,3′-c]phenazine)] 2+ [Cl − ] 2 ) by probing the electronic structure of ligand nitrogen atoms in real-time using ultrafast X-ray absorption spectroscopy and first principles calculations. We confirm the localization of excited electron density on the phenazine N atoms of dppz and we newly identify two parallel electron transfer pathways to populate this state. Sub-70 fs electron transfer to the phenazine portion of dppz is observed and attributed to intra-ligand electron transfer following Ru-to-dppz metal-to-ligand charge transfer (MLCT) excitation. This fast charge transfer was not reported in prior ultrafast studies. The slower (ca. 2 ps) charge transfer reported extensively in time-resolved optical absorption and emission studies is reassigned here to inter-ligand electron “hopping” between nearly isoenergetic ligand moieties following Ru-to-bpy MLCT excitation. In conclusion, the results demonstrate much faster charge separation than previously identified in this well-studied system, highlighting how extended azaacene ligand motifs promote the competitive charge transfer processes needed to drive light-driven electron transfer chemistry.

Donor-acceptor systems↗
DOE OSTI2024

One-loop analysis of β decays in SMEFT

We perform a loop-level analysis of charged-current (CC) processes involving light leptons and quarks within the Standard Model Effective Field Theory (SMEFT). This work is motivated by the high precision reached in experiment and Standard Model calculations for CC decays of mesons, neutron, and nuclei, and by a lingering tension in the Cabibbo universality test. We identify the SMEFT operators that induce the largest loop-level contributions to CC processes. These include four-quark and four-fermion semileptonic operators involving two third-generation quarks. We discuss the available constraints on the relevant effective couplings and along the way we derive new loop-level bounds from K → πν$\overline{v}$ on four-quark operators involving two top quarks. We find that low-energy CC processes are quite competitive with other probes, set constraints that do not depend on flavor-symmetry assumptions, and probe operators involving third-generation quarks up to effective scales of Λ ≃ 8 TeV. Finally, we briefly discuss single-field ultraviolet completions that could induce the relevant operators.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Lipid production from non-sugar compounds in pretreated lignocellulose hydrolysates by Rhodococcus jostii RHA1

Valorization of all carbon sources from biorefinery wastes to biofuels and bioproducts is an attractive but challenging strategy to improve the carbon efficiency of the entire biorefinery process for economic competitiveness. Rhodococcus jostii RHA1 is considered as a promising candidate for conversion of non-sugar compounds in pretreated lignocellulose hydrolysate, which contain aromatic monomers, furans and acids derived from biomass. However, the insufficient understanding of the strain’s complex metabolism network limits its application. In this study, furans (furfural, 5-hydroxymethylfurfural), phenols (vanillin, vanillate), and organic acids (acetic acid), which mimic the complex components of the non-sugar compounds in pretreated biomass hydrolysate, were mixed with benzoate or used individually as carbon sources to investigate the growth and lipid accumulation of R. jostii RHA1. Fermentation kinetics, specific growth rates (h-1) and lipid yield (g(g) -1, g(mmol)-1), for each selected biomass-derived compound were compared for lipid production. The order of the specific growth rates (h-1) was benzoate > acetic acid > vanillate > vanillin. Higher consumption rate of benzoate than that of vanillate, as well as different lipid yield from them, suggested the preference of strain employing two branches of ß-ketoadipate pathway and plausibly distinct carbon routing to lipid biosynthesis. And acetic acid showed the lowest lipid yield (g(mmol)-1) indicating less carbon contributed to lipid production. The highest lipid content (0.46 g lipid/g CDW) was achieved using benzoate as a main carbon source in the presence of 5-hydroxymethylfurfural (5-HMF). The generated lipids predominantly contained C16:0 and C17:0 fatty acids. The concentration of furfural and 5-HMF in fermentation broth decreased individually or simultaneously with benzoate catabolism. NMR results revealed the oxidation of furfural and 5-HMF by R. jostii RHA1. This study provides new insights into the catabolism and metabolism of non-sugar compounds derived from biomass by Rhodococcus in terms of growth and lipid production, facilitating its application to 2nd generation biofuel production.

Li, Xiaolu↗
DOE OSTI2025

Borate-assisted alkaline extraction of hemicellulose from switchgrass with enhanced structural stability and purity

Valorization of non-cellulosic polysaccharides is crucial for enhancing the economic competitiveness of biorefinery processes. In this study, a mixture of boric acid and sodium hydroxide was employed to efficiently extract hemicellulose from holocellulose switchgrass. Borate-assisted alkaline extraction resulted in a higher xylan content (59.5 %) compared to conventional alkaline extraction. Here, the hemicellulose fractions derived from the borate-alkaline treatment exhibited a higher molecular weight (M w = 51.2 kDa) and a relatively lower degree of polydispersity (1.28), indicating improved structural stability. The presence of borate had a protective effect against chain scission, preserving glucuronic acid residues and increasing galactose content. Additionally, borate improved hemicellulose purity, with up to 74.1 % of the extracted hemicellulose being suitable for further enzymatic applications. Extended extraction time further enhanced hemicellulose recovery, reaching 97.9 % under NaOH/boric acid conditions while maintaining structural integrity, as confirmed by SEM, FTIR and 2D HSQC NMR analyses. These findings provide insights into the role of borate in optimizing hemicellulose extraction and improving its potential for bioconversion processes.

Borate alkaline↗
DOE OSTI2020

Model for photothermal ionization and molecular recombination during pulsed ablation of polyethylene

The surface erosion of polyethylene is studied under conditions characteristic of extremely high-rate heating expected in laser-driven and high energy density experiments. A coupled model for photoionization and volumetric photothermal degradation of polyethylene is developed that includes finite rate chemistry and molecular recombination of radicals. First, the model is used to explore the evolution of radicals and hydrocarbons during isochoric heating, for which it is found that polyethylene is not in chemical equilibrium for rates >108K/s. Then, the model is used to explore the cooperativity between photoionization and photothermal ionization during one-dimensional ablation from a pulsed heating source, accounting for coupled energy deposition, thermokinetics, thermochemistry, hydrodynamics, mechanics, and thermal conduction in the ALEGRA multi-physics code. The ablation depth per energy pulse is found to agree with an analytical model for instantaneous energy deposition and absent molecular recombination or photoionization. Otherwise, molecular recombination of radicals reduces the depth of ablation per pulse, owing to thermal stabilization on forming branched molecules. Radical formation through photoionization can be compensated for by recombination, but it accelerates ablation at high enough photoionization rates. Finally, the influence of molecular recombination on the ablation depth is found to decrease for long pulses, owing to decreased recombination reaction rates at lower vapor densities near the ablated surface. These and other findings highlight competition between the processes of scission, recombination, and photoionization during pulsed ablation of polyethylene.

Moore, N. W. (ORCID:0000000272259674)↗
DOE OSTI2023

Operator Relaxation and the Optimal Depth of Classical Shadows

Classical shadows are a powerful method for learning many properties of quantum states in a sample-efficient manner, by making use of randomized measurements. Here we study the sample complexity of learning the expectation value of Pauli operators via “shallow shadows,” a recently proposed version of classical shadows in which the randomization step is effected by a local unitary circuit of variable depth t. Here we show that the shadow norm (the quantity controlling the sample complexity) is expressed in terms of properties of the Heisenberg time evolution of operators under the randomizing (“twirling”) circuit—namely the evolution of the weight distribution characterizing the number of sites on which an operator acts nontrivially. For spatially contiguous Pauli operators of weight k, this entails a competition between two processes: operator spreading (whereby the support of an operator grows over time, increasing its weight) and operator relaxation (whereby the bulk of the operator develops an equilibrium density of identity operators, decreasing its weight). From this simple picture we derive (i) an upper bound on the shadow norm which, for depth t~log⁡(k), guarantees an exponential gain in sample complexity over the t=0 protocol in any spatial dimension, and (ii) quantitative results in one dimension within a mean-field approximation, including a universal subleading correction to the optimal depth, found to be in excellent agreement with infinite matrix product state numerical simulations. Our Letter connects fundamental ideas in quantum many-body dynamics to applications in quantum information science, and paves the way to highly optimized protocols for learning different properties of quantum states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Competitive Furfural Production: Producing Additional Revenue From Waste

The competitive furfural synthesis process converts a low-value byproduct of corn ethanol production into a high-value chemical and a high-value feed residue. This easily implemented process may be incorporated alongside existing work flows to create additional revenue streams.

09 BIOMASS FUELS↗
DOE OSTI2021

Recycled Paper as a Source of Renewable Jet Fuel in the United States

Converting biomass into jet fuel involves more than the core chemical process. The overall process includes the logistics of harvesting and transporting the biomass, handling and preparing the material for processing, and processing and disposal of waste. All of these activities contribute to cost. Controlling cost involves more than developing efficient process chemistry. Choice of feedstock also has a significant impact on process economics. We consider chemical conversion of paper from municipal solid waste as a feedstock for the production of jet fuel and diesel. Paper has a significantly higher cellulose content than raw lignocellulosic biomass such as corn stover, so it requires less pretreatment to convert it into hydrocarbons than lignocellulosic biomass. Our techno-economic analysis showed that the cost of converting paper waste into jet fuel is about $1.00/gal less than jet fuel produced from corn stover. Although the cost of recycling paper into jet fuel is less than producing it from corn stover, the process is not competitive with petroleum. We estimated a minimum selling price of $3.97/gal for paper-derived jet fuel. Our sensitivity studies indicated that the biggest economic obstacle is the cost of cellulose hydrolysis. Direct hydrogenation of paper to sugar alcohols combined with increased economy of scale could make recycling paper jet fuel competitive.

09 BIOMASS FUELS↗
DOE OSTI2021

A critical review on the progress and challenges to a more sustainable, cost competitive synthesis of adipic acid

Adipic acid is a key organic diacid intermediate used in nylon manufacturing. It is primarily produced by an industrial process that can form nitrous oxide as a byproduct. Nitrous oxide has a 300-fold higher global warming potential than carbon dioxide, and an estimated 10% of its annual global emissions are a result of adipic acid production. These concerns have led to significant efforts for the development of nitrous oxide mitigation technologies as well as more environmentally friendly routes for adipic acid production. New processes include both advanced chemical and biotechnological routes. Here in this review, we discuss key recent developments in mitigation as well as new technologies. We also provide a critical look at the potential of new technologies to compete with the incumbent process and highlight key remaining technical challenges to the development of greener (environmentally sustainable) and cost competitive (commercially sustainable) processes for adipic acid manufacture.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

Cross sections for the formation of Rb84m,g, Rb83, and Rb82m in Sr86(d,x) reactions up to deuteron energies of 49 MeV: Competition between α-particle and multinucleon emission processes

Cross sections of Sr86(d,x) reactions leading to the products Rb84m,g, Rb83, and Rb82m were measured by the stacked-sample activation technique up to deuteron energies of 49 MeV. Nuclear model calculations were performed using the codes talys and empire, which combine the statistical, precompound, and direct interaction components. In all cases, the empire results were much higher than the talys calculation. Fairly good agreement was obtained between measured data and the talys calculation after some optimization of the input model parameters. Insight into competition between α-particle and multinucleon emission in the Y88 compound-nucleus system was also gained.

59 ≤ A ≤ 89↗