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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 649 records · Page 36

Highly Selective Oxygen Reduction to Hydrogen Peroxide on a Carbon-Supported Single-Atom Pd Electrocatalyst

Selective electrochemical two-electron oxygen reduction is a promising route for renewable and on-site H 2 O 2 generation as an alternative to the anthraquinone process. In this study, we report a high-performance nitrogen-coordinated single-atom Pd electrocatalyst, which is derived from Pd-doped zeolitic imidazolate frameworks (ZIFs) through one-step thermolysis. High-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) combined with X-ray absorption spectroscopy verifies atomically dispersed Pd atoms on nitrogen-doped carbon (Pd-NC). The single-atom Pd-NC catalyst exhibits excellent electrocatalytic performance for two-electron oxygen reduction to H 2 O 2 , which shows ~95% selectivity toward H 2 O 2 and an unprecedented onset potential of ~0.8 V versus revisable hydrogen electrode (RHE) in 0.1 M KOH. Density functional theory (DFT) calculations demonstrate that the Pd-N 4 catalytic sites thermodynamically prefer *–O bond breaking to O–O bond breaking, corresponding to a high selectivity for H 2 O 2 production. This work provides a deep insight into the understanding of the catalytic process and design of high-performance 2e– ORR catalysts.

36 MATERIALS SCIENCE↗

NaOH-assisted direct reduction of Ring of Fire chromite ores, and the associated implications for processing

As part of a broader programme to fully characterize the chromite ores discovered in the 'Ring of Fire' region of northern Ontario, NRCan and private research facilities in Canada have performed extensive test work over the past six years. The studies focused on developing alternative approaches for producing ferrochrome at lower temperatures and with fewer greenhouse gas emissions. The use of various fluxes or catalysts for accelerated direct reduction had yielded promising results, particularly with caustic soda (NaOH). Here, the initial work had been protected by a patent known as the 'KWG process'. The most recent work by NRCan has confirmed that the addition of NaOH to chromite ores in carefully controlled amounts leads to high degrees of metallization at much lower temperatures than would be achieved by conventional smelting technologies, at greatly accelerated reactions rates.

58 GEOSCIENCES↗

End-to-end gene fusions and their impact on the production of multifunctional biomass degrading enzymes

Highlights: Black-Right-Pointing-Pointer Multifunctional enzymes offer an interesting approach for biomass degradation. Black-Right-Pointing-Pointer Size and conformation of separate constructs play a role in the effectiveness of chimeras. Black-Right-Pointing-Pointer A connecting linker allows for maximal flexibility and increased thermostability. Black-Right-Pointing-Pointer Genes with functional similarities are the best choice for fusion candidates. -- Abstract: The reduction of fossil fuels, coupled with its increase in price, has made the search for alternative energy resources more plausible. One of the topics gaining fast interest is the utilization of lignocellulose, the main component of plants. Its primary constituents, cellulose and hemicellulose, can be degraded by a series of enzymes present in microorganisms, into simple sugars, later used for bioethanol production. Thermophilic bacteria have proven to be an interesting source of enzymes required for hydrolysis since they can withstand high and denaturing temperatures, which are usually required for processes involving biomass degradation. However, the cost associated with the whole enzymatic process is staggering. A solution for cost effective and highly active production is through the construction of multifunctional enzyme complexes harboring the function of more than one enzyme needed for the hydrolysis process. There are various strategies for the degradation of complex biomass ranging from the regulation of the enzymes involved, to cellulosomes, and proteins harboring more than one enzymatic activity. In this review, the construction of multifunctional biomass degrading enzymes through end-to-end gene fusions, and its impact on production and activity by choosing the enzymes and linkers is assessed.

60 APPLIED LIFE SCIENCES↗

Cadmium retention and distribution in contaminated soil: effects and interactions of soil properties, contamination level, aging time and in situ immobilization agents

As soil cadmium (Cd) contamination becomes a serious concern and one of the significant environmental pollution issues all over the world, knowledge of the basic chemistry, origin, inputs, sources, quantity, chemical forms, reactions, as well as the fate and transport of Cd in different types of soil is crucial for better understanding Cd bioavailability, health risks and remedial options. This study aimed to increase the current knowledge on the complex interdependence between the factors affecting behavior, transport and fate of Cd in the soil and to test and compare the performance of the stabilization agents in different soil types. Soils demonstrated various sorption affinity and capacity for Cd accumulation, which proved to be positively correlated with soil pH and the cation exchange capacity (CEC). With increasing levels of contamination, sequential extraction analysis showed the highest increase of relative Cd amounts in the exchangeable fraction regardless of the soil properties, suggesting that added Cd is principally associated with the easily accessible and mobile fraction. For different initial Cd concentrations and soil types, Cd sorption reached the quasi-equilibrium within 24 h of contact. Prolonged aging (two months) influenced the natural stabilization of Cd in all types of soil, but only at low contamination level. The application of both, conventional (slaked lime Ca(OH) 2) and alternative phosphate-rich (annealed bovine bones B 400) amendments, resulted in Cd relocation and reduction of exchangeable Cd content. Although the effect was smaller when apatite amendment was utilized, observed re-distribution of Cd to more stable soil fractions is preferable for achieving long-term stabilization. Cd concentrations extracted in exchangeable and acid soluble fractions after the treatments of contaminated soil samples suggest that the practical applicability of in situ immobilization depends on the soil properties and the level of contamination, as well as that effect, should be monitored for the possible re-mobilization of Cd. © 2019 Elsevier Inc.

02 PETROLEUM↗

A percolating path to green iron

About 1.9 gigatons of steel is produced every year, emitting 8% (3.6 gigatons) of global CO 2 in the process. More than 50% of the CO 2 emissions come from a single step of steel production, known as ironmaking. Hydrogen- based direct reduction (HyDR) of iron oxide to iron has emerged as an emission-free ironmaking alternative. However, multiple physical and chemical phenomena ranging from nanometers to meters inside HyDR reactors alter the microstructure and pore networks in iron oxide pellets, in ways that resist gaseous transport of H 2 /H 2 O, slow reaction rates, and disrupt continuous reactor operation. Using synchrotron nano X-ray computed tomography and percolation theory, we quantify the evolution of pores in iron oxide pellets and demonstrate how nanoscale pore connectivity influences micro- and macroscale flow properties such as permeability, diffusivity, and tortuosity. Our modeling framework connects disparate scales and offers opportunities to accelerate HyDR.

hydrogen↗

A mononuclear nonheme {FeNO} 6 complex: synthesis and structural and spectroscopic characterization

While the synthesis and characterization of {FeNO} 7,8,9 complexes have been well documented in heme and nonheme iron models, {FeNO} 6 complexes have been less clearly understood. Herein, we report the synthesis and structural and spectroscopic characterization of mononuclear nonheme {FeNO} 6 and iron(III)–nitrito complexes bearing a tetraamido macrocyclic ligand (TAML), such as [(TAML)Fe III (NO)] - and [(TAML)Fe III (NO 2 )] 2- , respectively. First, direct addition of NO (g) to [Fe III (TAML)] - results in the formation of [(TAML)Fe III (NO)] - , which is sensitive to moisture and air. The spectroscopic data of [(TAML)Fe III (NO)] - , such as 1 H nuclear magnetic resonance and X-ray absorption spectroscopies, combined with computational study suggest the neutral nature of nitric oxide with a diamagnetic Fe center (S = 0). We also provide alternative pathways for the generation of [(TAML)Fe III (NO)] - , such as the iron–nitrite reduction triggered by protonation in the presence of ferrocene, which acts as an electron donor, and the photochemical iron–nitrite reduction. To the best of our knowledge, the present study reports the first photochemical nitrite reduction in nonheme iron models.

36 MATERIALS SCIENCE↗

Photochemical separation of plutonium from uranium

Photochemical reduction and separation of plutonium from uranium in acidic solutions is described as a potential alternative to conventional separations that employ harsh chemical redox agents.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Lithium, a path to make fusion energy affordable

In this tutorial article, we review the technological, physics, and economic basis for a magnetic fusion device utilizing a flowing liquid lithium divertor (molten metal velocity in the range of cm/s) and operating in a low-recycling plasma regime. When extrapolated to magnetic fusion reactor scale, the observed effects of a liquid lithium boundary on recycling reduction, confinement increase, and anomalous heat transport mitigation may offer a fundamentally distinct and promising alternative route to fusion energy production. In addition, this lithium-driven low recycling regime could accelerate fusion’s commercial viability since such a device would be smaller, dramatically decreasing plant and electricity costs if all technological complexities are solved. First, the theoretical basis of the energy confinement and fusion performance as well as the related possibilities of low recycling regimes driven by flowing lithium plasma-facing components are reviewed. Then the paper emphasizes the technological obstacles that need to be overcome for developing the necessary systems for such a flowing liquid lithium solution at reactor scale and details how many of these have been overcome at laboratory and/or proof-of-concept scale. Finally, the current and planned scientific and engineering endeavors being performed at the University of Illinois at Urbana-Champaign regarding this alternative reactor option are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Tc removal from the waste treatment and immobilization plant low-activity waste vitrification off-gas recycle

Vitrification of Low Activity Waste in the Hanford Waste Treatment and Immobilization Plant generates a condensate stream from the off-gas processes. Components in this stream are partially volatile and accumulate to high concentrations through recycling, which impacts the waste glass loading and facility throughput. The primary radionuclide that vaporizes and accumulates in the stream is 99 Tc. This program is investigating Tc removal via reductive precipitation with stannous chloride to examine the potential for diverting this stream to an alternate disposition path. As a result, research has shown stannous chloride to be effective, and this paper describes results of recent experiments performed to further mature the technology.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Earth Observatory Satellite system definition study. Report no. 4: Management approach recommendations

A management approach for the Earth Observatory Satellite (EOS) which will meet the challenge of a constrained cost environment is presented. Areas of consideration are contracting techniques, test philosophy, reliability and quality assurance requirements, commonality options, and documentation and control requirements. The various functional areas which were examined for cost reduction possibilities are identified. The recommended management approach is developed to show the primary and alternative methods.

Source record↗

Riblets for aircraft skin-friction reduction

Energy conservation and aerodynamic efficiency are the driving forces behind research into methods to reduce turbulent skin friction drag on aircraft fuselages. Fuselage skin friction reductions as small as 10 percent provide the potential for a 250 million dollar per year fuel savings for the commercial airline fleet. One passive drag reduction concept which is relatively simple to implement and retrofit is that of longitudinally grooved surfaces aligned with the stream velocity. These grooves (riblets) have heights and spacings on the order of the turbulent wall streak and burst dimensions. The riblet performance (8 percent net drag reduction thus far), sensitivity to operational/application considerations such as yaw and Reynolds number variation, an alternative fabrication technique, results of extensive parametric experiments for geometrical optimization, and flight test applications are summarized.

Walsh, Michael J.↗

Complement activation promotes muscle inflammation during modified muscle use

Modified muscle use can result in muscle inflammation that is triggered by unidentified events. In the present investigation, we tested whether the activation of the complement system is a component of muscle inflammation that results from changes in muscle loading. Modified rat hindlimb muscle loading was achieved by removing weight-bearing from the hindlimbs for 10 days followed by reloading through normal ambulation. Experimental animals were injected with the recombinant, soluble complement receptor sCR1 to inhibit complement activation. Assays for complement C4 or factor B in sera showed that sCR1 produced large reductions in the capacity for activation of the complement system through both the classical and alternative pathways. Analysis of complement C4 concentration in serum in untreated animals showed that the classical pathway was activated during the first 2 hours of reloading. Analysis of factor B concentration in untreated animals showed activation of the alternative pathway at 6 hours of reloading. Administration of sCR1 significantly attenuated the invasion of neutrophils (-49%) and ED1(+) macrophages (-52%) that occurred in nontreated animals after 6 hours of reloading. The presence of sCR1 also reduced significantly the degree of edema by 22% as compared to untreated animals. Together, these data show that increased muscle loading activated the complement system which then briefly contributes to the early recruitment of inflammatory cells during modified muscle loading.

NASA Discipline Musculoskeletal↗

Simpler Alternative to an Optimum FQPSK-B Viterbi Receiver

A reduced-complexity alternative to an optimum FQPSK-B Viterbi receiver has been invented. As described, the reduction in complexity is achieved at the cost of only a small reduction in power performance [performance expressed in terms of a bit-energy-to-noise-energy ratio (Eb/N0) for a given bit-error rate (BER)]. The term "FQPSK-B" denotes a baseband-filtered version of Feher quadrature-phase-shift keying, which is a patented, bandwidth-efficient phase-modulation scheme named after its inventor. Heretofore, commercial FQPSK-B receivers have performed symbol-by-symbol detection, in each case using a detection filter (either the proprietary FQPSK-B filter for better BER performance, or a simple integrate-and-dump filter with degraded performance) and a sample-and-hold circuit.

Lee, Dennis↗

TPSAS-NF1676L-18116-DND

Generational improvement in transport aircraft led to aggressive reductions in noise, emissions, and fuel burn. Technological advances needed across many fronts (aerodynamics, propulsion, alternative fuels, acoustics, structures). Broad structures-centric goals (for wings): stabilize flexibility in minimum-weight wings; and exploit flexibility to reduce wing loading/drag via load redistribution and wing shaping.

Bret K Stanford↗

Faceting of Nanoscale Pt and Au Particles for Applications in Catalysis

In an effort to reduce the world's dependence on fossil fuels as well as lower green house gas emissions, proton exchange membrane fuel cells (PEMFC) have been considered by many as a prime candidate for both mobile and stationary alternative energy sources. The principal limiting factor for efficiency in fuel cells is the oxygen reduction reaction (ORR) which is driven by platinum based catalyst materials. Numerous methods have been developed to synthesize particles that make more efficient use of the active surfaces by tuning shapes, sizes and facets. For example, it was recently demonstrated that selectivity can be tuned by controlling particle shape in the case of promoting trans olefin isomerization to their cis counterparts using close-packed Pt (111), Pt (557) and Pt (100) surfaces as opposed to a more open Pt (110), which favored the trans-counterparts. Furthermore, it has been reported that certain facets exhibit improved ORR activity while others may decrease activity at the bulk phase single crystal level. Here, we will present a study of various wet chemical reduction methods targeting specific morphologies and the resulting electrochemical activity. Determining the effects of synthetic parameters on the final product via transmission electron microscopy (TEM), small angle x-ray scattering (SAXS) and wide angle x-ray scattering (WAXS) provides mechanistic insight on growth kinetics, while electrochemical studies correlate physical properties to performance. Understanding structure and activity relationships will allow us to intuitively design next generation materials with enhanced properties.

30 DIRECT ENERGY CONVERSION↗

Uncertainty Quantification in Reduced Order Modeling

Presentation describes research to analyze radiation transport using reduced order modeling as an alternate approach to Monte Carlo-based methods, with a goal of developing a variance reduction method that increases computing efficiency.

97 MATHEMATICS AND COMPUTING↗

Bioenergy: A Pathway to Decarbonization

An overview of BETO’s efforts to help engineer carbon reduction and decarbonize the atmosphere with improved carbon conversion technologies, along with bio-based alternatives to fossil fuels and petrochemical-related products.

biofuels, bioproducts, greenhouse gas, carbon foot↗

Computational Study of an Iron(II) Polypyridine Electrocatalyst for CO 2 Reduction: Key Roles for Intramolecular Interactions in CO 2 Binding and Proton Transfer

A solar-driven conversion of CO 2 into fuels by artificial photosynthesis would not only mitigate the greenhouse effect but also provide an alternative to obtain fuels in a renewable fashion. To this end, the new iron polypyridine catalyst [Fe(bpy NHEt PY2Me)L 2 ] 2+ (L = H 2 O, CH 3 CN) was recently developed for the electrochemical reduction of CO 2 to CO. Here, we performed density functional theory (DFT) electronic structure calculations to shed light on a possible pathway for CO 2 reduction and the origin of the selectivity between CO 2 reduction versus the hydrogen evolution reaction. The metal center remains Lewis acidic throughout the reduction process due to ligand loss and mainly ligand-based reduction stabilized by antiferromagnetic coupling to a high-spin Fe(II) center. This results in a high barrier for hydride formation but a facile addition and activation of CO 2 via an η 2 coordination and stabilizing hydrogen bonding by the amine group. The second unoccupied equatorial coordination site opens up the possibility for an intramolecular protonation with a coordinated water ligand. This facilitates protonation because not only CO 2 but also the proton source H 2 O is activated and properly aligned for a proton transfer due to the Fe-OH 2 bond; consequently, both protonation steps are facile. The moderate ligand field allows a rapid ligand exchange for a second intramolecular protonation step and facilitates an exergonic CO release. The lower selectivity of the related [Fe(bpy OH PY2Me)L 2 ] 2+ complex can be related to its more acidic second coordination sphere, which enables an intramolecular proton transfer that is kinetically competitive with CO 2 addition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗