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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 1,243 records · Page 69
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Final Science Report of the Joint Center for Artificial Photosynthesis (JCAP)

The Joint Center for Artificial Photosynthesis (JCAP) was designated as the U.S. Department of Energy (DOE) Fuels from Sunlight Energy Innovation Hub on July 22, 2010, and began operations according to a cooperative agreement between the DOE and the California Institute of Technology on September 30, 2010. The cooperative agreement was renewed on September 30, 2015. This final science report outlines JCAP research activities from September 30, 2010 to September 30, 2021.

08 HYDROGEN↗
NASA NTRS1999

Combustion of Metals in Reduced-Gravity and Extra Terrestrial Environments

The combustion of metals is a field with important practical applications in rocket propellants, high-temperature flames, and material synthesis. Also, the safe operation of metal containers in high-pressure oxygen systems and with cryogenic fuels and oxidizers remains an important concern in industry. The increasing use of metallic components in spacecraft and space structures has also raised concerns about their flammability properties and fire suppression mechanisms. In addition, recent efforts to embark on unmanned and manned planetary exploration, such as on Mars, have also renewed the interest in metal/carbon-dioxide combustion as an effective in situ resource utilization technology. In spite of these practical applications, the understanding of the combustion properties of metals remains far behind that of the most commonly used fuels such as hydrocarbons. The lack of understanding is due to the many problems unique to metal- oxidizer reactions such as: low-temperature surface oxidation prior to ignition, heterogeneous reactions, very high combustion temperatures, product condensation, high emissivity of products, and multi-phase interactions. Very few analytical models (all neglecting the influence of gravity) have been developed to predict the burning characteristics and the flame structure details. Several experimental studies attempting to validate these models have used small metal particles to recreate gravity-free conditions. The high emissivity of the flames, rapid reaction, and intermittent explosions experienced by these particles have made the gathering of any useful information on burning rates and flame structure very difficult. The use of a reduced gravity environment is needed to clarify some of the complex interactions among the phenomena described above. First, the elimination of the intrusive buoyant flows that plague all combustion phenomena is of paramount importance in metal reactions due to the much higher temperatures reached during combustion. Second, a low-gravity environment is absolutely essential to remove the destructive effect of gravity on the shape of a molten metal droplet in order to study a spherically symmetric condition with large bulk samples. The larger size of the spherical metal droplet and the longer burning times available in reduced gravity extend the spatial and temporal dimensions to permit careful probing of the flame structure and dynamics. Third, the influence of the radiative heat transfer from the solid oxides can be studied more carefully by generating a stagnant spherical shell of condensed products undisturbed by buoyancy.

Branch, M.C.↗
DOE OSTI2021

Techno-economic analysis of long-duration energy storage and flexible power generation technologies to support high-variable renewable energy grids

As variable renewable energy penetration increases beyond 80%, clean power systems will require long-duration energy storage or flexible, low-carbon generation. Here, we provide a detailed techno-economic evaluation and uncertainty analysis of applicable technologies and identify challenges and opportunities to support electric grid planning. We show that for a 120-h storage duration rating, hydrogen systems with geologic storage and natural gas with carbon capture are the least-cost low-carbon technologies for both current and future capital costs. These results are robust to uncertainty for the future capital cost scenario, but adiabatic compressed air and pumped thermal storage could be the least-cost technologies in the current capital cost scenario under uncertainty. Finally, we present a new storage system using heavy-duty vehicle fuel cells that could reduce the levelized cost of energy by 13%–20% compared with the best previously considered storage technology and, thus, could help enable very high (>80%) renewable energy grids.

25 ENERGY STORAGE↗
DOE OSTI2021

Editorial: Bioconversion and Biorefinery of C1 Compounds

The past decade has seen significant progress in the field of metabolic engineering and synthetic biology. The exponentially growing multi-omics data and technological advances in the development of efficient genetic manipulation tools and techniques have allowed scientists to explore and expand their understanding of microbial metabolisms and further develop sophisticated engineering strategies to realize the use of industrial "workhorses" and non-conventional microorganisms for sustainable bioconversion and biorefinery. There is of great interest for the research community in using C1 compounds (i.e., CO 2 , CO/syngas, methane, methanol) as the next generation feedstocks for microbial cell factories and biocatalysts to promote the sustainable development of a green economy (Figure 1). Considering lowering input costs is also a main consideration for successful business ventures, the use of inexpensive, abundant, and widely accessible C1 compounds is envisioned as a promising route for the sustainable production of fine chemicals, fuels, and other high-value products. Many C1 compounds are waste gases from industrial activities and may have detrimental effects on climate change upon emission into the atmosphere. Therefore, promoting the use of C1 compounds as renewable carbon feedstocks can greatly contribute to the reduction of anthropogenic emission of air pollutants.

09 BIOMASS FUELS↗
DOE OSTI2023

Biochemical Conversion of Lignocellulosic Biomass to Hydrocarbon Fuels and Products: 2022 State of Technology and Future Research

The annual State of Technology (SOT) assessment is a key activity for biochemical platform research. It allows the impact of research progress (both directly achieved in-house at the National Renewable Energy Laboratory [NREL] and indirectly extrapolated from available public data) to be quantified in terms of economic improvements in the overall cellulosic biofuel production process for a particular conversion pathway. As such, initial benchmarks can be established for currently demonstrated performance and progress can be tracked toward out-year goals to ultimately demonstrate cost-competitive biofuel technology. Building upon efforts to progress NREL's biochemical platform R&D work toward ultimate 2030 goals to demonstrate less than $2.50/gallon gasoline equivalent (GGE) fuel selling prices, experimental and techno-economic analysis (TEA) activities have primarily focused on "advanced" biochemical processing strategies to fuels and coproducts, guided by TEA modeling to highlight key barriers and priorities toward achieving this goal across a number of potential bioconversion pathways. The purpose of the present effort is to benchmark the latest experimental developments for these pathways as quantified by modeled minimum fuel selling prices (MFSPs), as a measure of current status relative to those final targets. For this SOT, TEA models were run for two separate biological conversion pathways to fuels, based on available data for integrated biomass deconstruction and hydrolysate processing; namely carboxylic acids (primarily butyric acid) and diols (2,3-butanediol [BDO]), reflecting NREL's recently published 2018 biochemical design report focused on those two pathways. The models were run across two scenarios for lignin utilization, namely combustion and conversion to value-added coproducts.

09 BIOMASS FUELS↗
DOE OSTI2025

Computer-aided design of stability enhanced nicotinamide cofactor biomimetics for cell-free biocatalysis

Cell-free biocatalysis (CFB) is an efficient and environmentally friendly method to synthesize molecules such as pharmaceuticals, biochemicals, and biofuels through the in vitro use of enzyme cascades. These enzymes often require redox cofactors to drive chemical reactions. Natural redox cofactors (NAD(P)H) are expensive to isolate, motivating synthetic nicotinamide cofactor biomimetics (NCBs) as a cost-effective solution. A select handful of NCBs have been identified as potential NAD(P)H alternatives with comparable or improved redox capabilities, however, they display a tendency to degrade in common buffers. In this study, a library of 132 NCB candidates is systematically generated, over 85% of which have not been characterized in the literature, to expand the diversity of currently explored NCBs. The decomposition mechanism of NCBs in phosphate is evaluated using density functional theory (DFT), revealing protonation at the nicotinamide C5 position as a reporter of cofactor stability. Based on this result, we trained a linear regression model on DFT calculated descriptors to predict NCB stability in phosphate buffer, achieving mean absolute error (MAE) and root mean squared error (RMSE) values within computational accuracy. Analysis of key atomic descriptors and qualitative trends in our dataset informed the design of novel NCB candidates we propose with optimized stability. This work enables researchers to predict the relative stability of NCBs before synthesis, thereby streamlining the process to make CFB more affordable and viable at industry scales.

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

Consistent thermodynamic properties for alicyclic components of jet fuels: Experimental data, estimation methods, and homologous series trends

Alkylcycloalkanes represent a significant fraction of jet fuel components. An evaluation of their thermodynamic properties, enthalpies of formation in liquid and gas phases and enthalpies of vaporization, was conducted. A combination of available experimental data, up-to-date group-contribution methods, high-level quantum-chemical calculations, and homologous series trends was used to identify outliers and to recommend the most reliable values. The group-contribution approach was found to work well for the enthalpies of vaporization. Its performance for the enthalpies of formation in the liquid and gas phases was found to be substantially less effective, especially considering notable differences in this property among stereoisomers. Computationally affordable high-level ab initio results and homologous series trend analysis appeared more reliable. In conclusion, the recommended property values for 212 individual compounds and their isomeric mixtures were provided.

09 BIOMASS FUELS↗
DOE OSTI2025

Rheology and engine performance of very low sulfur fuel oil blended with 10% fast pyrolysis and hydrothermal liquefaction oils in a 2-stroke crosshead engine

The performance and emissions for a downscaled single-cylinder 2-stroke crosshead engine were determined for a very low sulfur fuel oil (VLSFO) when blended with 10 wt.% fast pyrolysis (FP) or hydrothermal liquefaction (HTL) bio-intermediates. The FP and HTL oils were derived from biomass and were observed to contain lower molecular weight (MW) hydrocarbons than neat VLSFO (which was evaluated as a baseline comparison). The addition of either biofuel reduced the overall viscosity of the VLSFO. Aging tests at 50, 90, and 120°C showed that the dynamic viscosity of VLSFO increased with exposure time up to two weeks. Similar trends were observed for the FP and HTL blends, but a pronounced spike in viscosity occurred for these fuels during the early period of exposure. None of the viscosity increases exceeded the operational limits of fuel system pumps. Engine performance studies were conducted under low, medium and high load operational settings. The relative performance of the test fuels was highly dependent on operating condition. In general, the engine results for the three test fuels were similar, but modest improvements in brake thermal efficiency and brake specific fuel consumption were observed, which may be attributed to the heightened reactivity of low molecular weight fraction of the FP and HTL oils.

09 BIOMASS FUELS↗
DOE OSTI2023

Tribocorrosion of stainless steel sliding against graphite in FLiNaK molten salt

The molten salt reactor (MSR) concept recently gained renewed interest in developing Generation IV nuclear reactors. One MSR design uses fluoride molten salts to cool tri-structural isotropic particle fuel encapsulated by a carbon matrix into spherical pebbles, which would inevitably contact the reactor's stainless steel container wall during salt circulation. Characterizing this interaction is crucial for reactor safety. Here, in this work, we report the tribocorrosion behavior of graphite sliding against Type 316H stainless steel lubricated by a FLiNaK (LiF:NaF:KF; 46.5:11.5:42 mol %) molten salt in an argon environment. Accelerated wear loss was observed at a higher temperature because of a lower molten salt viscosity and a higher corrosion rate. The graphite had a more rapid material loss at a higher sliding speed than stainless steel because of its higher vulnerability to vibration-induced microfracture. The salt-starved condition caused more material loss than either the no-salt or the salt-flooded condition because neither a graphite transfer film nor stable boundary lubrication could be established at salt starvation. An interesting dual-layer surface film was discovered on the stainless steel worn surface: a chromium-rich top film and a nickel-accumulated but chromium-depleted interlayer. The film composition and structure provide fundamental insights to the mechanochemical interactions between stainless steel and graphite in a molten salt environment.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Effect of Solvent on the Interaction of Lignin with a Zeolite Nanosheet in the Condensed Phase

Lignin is the essential building block of lignocellulosic biomass, an excellent renewable source of different aromatic monomers for the polymer and biofuel industry. The depolymerization of lignin into value-added chemicals and fuels through the catalytic process poses a significant challenge due to the complex structure of lignin. Understanding lignin’s conformational diversity and dynamics in the liquid phase is crucial to designing an effective depolymerization process. Here, we conducted all-atom molecular dynamics simulations to understand the conformation and dynamics of softwood lignin on the all-silica zeolite nanosheet based on the MFI topology in a binary mixture of water–methanol at three different molar compositions (0%, 50%, and 100% methanol). We observed that the methanol–surface interaction is stronger than the water–surface interaction, and methanol readily diffused into the MFI core. Lignin surface contacts decrease with increasing methanol composition due to higher solubility and dynamics. Lignin dynamics on the surface in neat water is an order of magnitude smaller than methanol. Here, we also found that lignin adopts a slightly extended conformation when it stays on the surface than in the bulk solution phase for the pure water case, whereas for pure methanol and the binary solution structures are statistically similar.

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

Performance and Durability of Pure-Water-Fed Anion Exchange Membrane Electrolyzers Using Baseline Materials and Operation

Water electrolysis powered by renewable electricity produces green hydrogen and oxygen gas, which can be used for energy, fertilizer, and industrial applications and thus displace fossil fuels. Pure-water anion-exchange-membrane (AEM) electrolyzers in principle offer the advantages of commercialized proton-exchange-membrane systems (high current density, low cross over, output gas compression, etc.) while enabling the use of less-expensive steel components and nonprecious metal catalysts. AEM electrolyzer research and development, however, has been limited by the lack of broadly accessible materials that provide consistent cell performance, making it difficult to compare results across studies. Further, even when the same materials are used, different pretreatments and electrochemical analysis techniques can produce different results. Here, we report an AEM electrolyzer comprising commercially available catalysts, membrane, ionomer, and gas-diffusion layers operating near 1.9 V at 1 A cm –2 in pure water. After the initial break in, the performance degraded by 0.67 mV h –1 at 0.5 A cm –2 at 55 °C. We detail the key preparation, assembly, and operation techniques employed and show further performance improvements using advanced materials as a proof-of-concept for future AEM-electrolyzer development. Here, the data thus provide an easily reproducible and comparatively high-performance baseline that can be used by other laboratories to calibrate the performance of improved cell components, nonprecious metal oxygen evolution, and hydrogen evolution catalysts and learn how to mitigate degradation pathways.

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

Tandem Electrocatalytic CO 2 Reduction with Efficient Intermediate Conversion over Pyramid-Textured Cu–Ag Catalysts

If combined with renewably generated electricity, electrochemical CO 2 reduction (E-CO 2 R) could be used as a sustainable source of chemicals and fuels. Tandem catalysis approaches are attractive for providing the product selectivity, which would be required for commercial applications. Here, we demonstrate a two-step tandem electrocatalytic E-CO 2 R with efficient conversion of the intermediate species. The catalyst scaffold is Si(100), which is etched to form a textured surface consisting of micron-sized pyramid structures with the {111} facets. Two metals are used in the electrocatalytic cascade: Ag is employed to perform a two-electron reduction of CO 2 to the intermediate CO, and Cu performs conversion to more reduced products. Using high-angle physical vapor deposition, we form separated, micron-scale areas of the two electrocatalysts on opposite sides of the pyramids, with their relative surface coverages being tunable with the deposition angle. Compared to the textured scaffolds with blanket Ag and Cu used as controls, bimetallic pyramid tandem catalysts have higher current densities and much lower faradic efficiencies (FE) for CO. These effects are due to efficient conversion of the CO formed on Ag to more reduced products on Cu. Methane is the main product to be enhanced by the cascade pathway: a bimetallic catalyst with approximately equal coverages of Ag and Cu produces methane with a FE of 62% at -1.1 V RHE , corresponding to a partial current density of 12.7 mA cm -2 . We estimate an intermediate conversion yield for the CO intermediate of 80-90%, which is close to the mass-transport limited value predicted by reaction-diffusion simulations.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Lignin-Derived Methoxyterephthalates for Performance-Advantaged Polymers and Plasticizers

Lignin-derived aromatic carboxylic acids can be produced from oxidative catalytic processes and are promising building blocks for performance-advantaged bioproducts that leverage their inherent heteroatom functionalities. Here, we synthesize 2-methoxyterephthalate and 2,6-dimethoxyterephthalate derivatives by electrochemical carboxylation of guaiacyl- and syringyl-derived lignin monomers obtained from the oxidative deconstruction of lignin. These methoxylated terephthalates are evaluated as comonomers in poly(ethylene terephthalate) (PET) and as plasticizers that could replace petrochemically-derived isophthalate and phthalate, respectively. Specifically, we copolymerize 2-methoxy- and 2,6-dimethoxyterephthalate with dimethyl terephthalate to form several PET copolymers, both of which enable the properties of PET to be tuned, with an incorporation beyond 25% producing amorphous polyesters. At 10 mol % loading in the copolymers, we demonstrate that the bioderived comonomers exhibit comparable behavior to isophthalic acid, a commonly used comonomer in PET, by lowering the crystallinity and melting temperature. Moreover, methoxyterephthalate esters (2-ethylhexyl and butyl) are compared to phthalate and terephthalate ester counterparts used as poly(vinyl chloride) (PVC) plasticizers. The bioderived plasticizers are comparable to the petroleum-derived incumbents in reducing the glass transition temperature and increasing the thermal stability of PVC. Furthermore, the dimethoxyterephthalic esters are expected to have an extended lifetime in the polymer matrix due to their lower volatility and lower diffusion coefficients calculated by molecular dynamic simulations. These results demonstrate that the isophthalate and phthalate components in polyesters and plasticizers, respectively, could be substituted with biobased methoxyterephthalate derivatives.

09 BIOMASS FUELS↗
DOE OSTI2025

Acetolysis for Epoxy-Amine Carbon Fibre-Reinforced Polymer Recycling

Carbon fibre-reinforced polymers (CFRPs) are used in many applications in the global energy transition, including for lightweighting aircraft and vehicles and in wind turbine blades, shipping containers and gas storage vessels1,2,3,4. Given the high cost and energy-intensive manufacture of CFRPs5,6,7, recycling strategies are needed that recover intact carbon fibres and the epoxy-amine resin components. Here we show that acetic acid efficiently depolymerizes both aliphatic and aromatic epoxy-amine thermosets used in CFRPs to recoverable monomers, yielding pristine carbon fibres. Deconstruction of materials from multiple sectors demonstrates the broad applicability of this approach, providing clean fibres from 2 h reactions. The optimal conditions were scaled to 80.0 g of post-consumer CFRPs, and demonstrative composites were fabricated from the recycled carbon fibres, which were recycled two more times, maintaining their strength throughout. Process modelling and techno-economic analysis, with feedstock cost informed by wind turbine blade waste generation8, indicates this method is cost effective, with a minimum selling price of US$1.50 per kg for recycled carbon fibres whereas life cycle assessment shows process greenhouse gas emissions around 99% lower than virgin carbon fibre production. Overall, this approach could enable recycling of industrial CFRPs as it provides clean, mechanically viable recycled carbon fibres and recoverable resin monomers from the thermoset.

09 BIOMASS FUELS↗
DOE OSTI2025

Integration of Metabolic and Bioprocess Engineering for the Production of B-Ketoadipic Acid from Glucose and Xylose by Pseudomonas Putida

..beta..-Ketoadipic acid is a common intermediate in aerobic microbial aromatic catabolism that can be used as a monomer in performance-advantaged biopolymers. Here, we engineered Pseudomonas putida KT2440 to produce ..beta..-ketoadipate from glucose and xylose, the most prevalent carbohydrates derived from lignocellulosic polysaccharides. With the top-performing strain, P. putida GR038, we conducted bioprocess development using glucose and xylose as substrates in a 2 : 1 molar ratio to mimic lignocellulosic hydrolysate. Fed-batch cultivations achieved a titer of 65.8 g L-1 and a rate of 0.69 g L-1 h-1, with a C-mol yield of 0.52. Application of adsorptive in situ product recovery further improved the effective titer to 92.0 g L-1 and the rate to 0.83 g L-1 h-1, while also improving the downstream purity of ..beta..-ketoadipate from 88.3 wt% to 99.0 wt%. These results show promise towards industrial production of ..beta..-ketoadipate from lignocellulosic sugars.

09 BIOMASS FUELS↗