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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 1,315 records · Page 73
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

TiO{sub 2}-based photocatalytic disinfection of microbes in aqueous media: A review

The TiO{sub 2} based photocatalyst has great potential for the disinfection/inactivation of harmful pathogens (such as E.coli in aqueous media) along with its well-known usefulness on various chemical pollutants. The disinfection property of TiO{sub 2} is primarily attributed to surface generation of reactive oxygen species (ROS) as well as free metal ions formation. Furthermore, its disinfection capacity and overall performance can be significantly improved through modifications of the TiO{sub 2} material. In this review, we provide a brief survey on the effect of various TiO{sub 2} materials in the disinfection of a wide range of environmentally harmful microbial pathogens (e.g., bacteria, fungi, algae, and viruses) in aqueous media. The influencing factors (such as reactor design, water chemistry, and TiO{sub 2} modifications) of such processes are discussed along with the mechanisms of such disinfection. It is believed that the combined application of disinfection and decontamination will greatly enhance the utilization of TiO{sub 2} photocatalyst as a potential alternative to conventional methods of water purification. - Highlights: • The advent of industrialization jeopardized the quality of drinking water. • TiO{sub 2} photocatalysis holds promise both in the degradation of pollutants and for disinfection. • The applicability of TiO{sub 2}-based decontamination is explored for microbial disinfection. • Here we provide a comprehensive review on titania-based photocatalysts for disinfection.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Challenges for tree officers to enhance the provision of regulating ecosystem services from urban forests

Urbanisation and a changing climate are leading to more frequent and severe flood, heat and air pollution episodes in Britain's cities. Interest in nature-based solutions to these urban problems is growing, with urban forests potentially able to provide a range of regulating ecosystem services such as stormwater attenuation, heat amelioration and air purification. The extent to which these benefits are realized is largely dependent on urban forest management objectives, the availability of funding, and the understanding of ecosystem service concepts within local governments, the primary delivery agents of urban forests. This study aims to establish the extent to which British local authorities actively manage their urban forests for regulating ecosystem services, and identify which resources local authorities most need in order to enhance provision of ecosystem services by Britain's urban forests. Interviews were carried out with staff responsible for tree management decisions in fifteen major local authorities from across Britain, selected on the basis of their urban nature and high population density. Local authorities have a reactive approach to urban forest management, driven by human health and safety concerns and complaints about tree disservices. There is relatively little focus on ensuring provision of regulating ecosystem services, despite awareness by tree officers of the key role that urban forests can play in alleviating chronic air pollution, flood risk and urban heat anomalies. However, this is expected to become a greater focus in future provided that existing constraints – lack of understanding of ecosystem services amongst key stakeholders, limited political support, funding constraints – can be overcome. Our findings suggest that the adoption of a proactive urban forest strategy, underpinned by quantified and valued urban forest-based ecosystem services provision data, and innovative private sector funding mechanisms, can facilitate a change to a proactive, ecosystem services approach to urban forest management. - Highlights: • British urban forests are managed reactively, in response to risks and complaints. • Tree officers are aware of urban forests’ delivery of regulating ecosystem services. • Limited funding and lack of political support are obstacles to a proactive approach. • Awareness raising via ecosystem service valuation and strategic planning is needed. • Research into a public-private urban forest funding model would be beneficial.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Rhenium Isotope Reconnaissance of Uranium Ore Concentrates

Exploration of natural isotopic variations of the element rhenium (Re) is in its infancy, with initial studies revealing isotopic fractionation in a variety of geological materials. Here, in this work, we investigate Re isotope variation as a new geochemical tool, given its redox-sensitive properties and affinity for organic matter and sulfides. In this work, Re abundance and isotope ratio data were collected from uranium ore concentrates (UOCs) across a variety of depositional ages, locations, geologic settings, and deposit types. Ore types from which the UOC were derived include sandstone, unconformity, and quartz-pebble (QP) conglomerate. To isolate Re from the U-rich matrix of UOCs, a new purification method utilizing DGA ion exchange resin was developed. We found that UOCs exhibit a wide range of Re isotope ratios, with sandstone ore-derived UOCs having the isotopically lightest values, QP conglomerate ore-derived UOCs having the heaviest, and unconformity ore-derived UOCs in between (with some overlap with sandstone UOCs). The Re isotope ratio range observed in UOCs extends previously reported values by more than a factor of two. Industrial processing (e.g., incomplete recovery of Re from ore, contamination, fractionation during processing) may play a role in the isotopic variability in the UOCs. However, systematic differences between ore types suggest that the depositional setting is a significant factor. For nuclear forensic investigations, Re isotopic compositions combined with data from other isotopic systems provide geochemical signatures that can aid in provenance assessment of UOCs. Regardless of the specific causes for the wide range of Re isotope ratios in UOCs, these initial data indicate Re is a promising tool for nuclear forensic investigations on samples from early in the nuclear fuel cycle.

58 GEOSCIENCES↗
DOE OSTI2025

Microwave-driven synthesis and modification of nanocarbons and hybrids in liquid and solid phases

Over the past 20 years, nanocarbons have become more significant as nanostructured fillers in composites and, more recently, as functional elements in a brand-new class of hybrid materials. Microwave-assisted synthesis and processing is a burgeoning subject matter in materials research with significant strides in the realm of nanocarbon during the last decade. Here, the review examines recent approaches to producing various nanocarbons using microwaves as energy sources, the characterization of such materials for various applications, and their results. The underlying factors supporting the increased performance of such materials or their composites are analyzed and reaction mechanisms are presented wherever necessary. In particular, the recently developed and verified approaches to produce porous carbon materials, CNTs and fibers, carbon nanospheres, carbon dots, CQDs, reduced graphene oxide, nanocarbon hybrid materials, and the purification and modification of CNTs are discussed. The reduction of graphene oxide and the preparation of graphene derivative hybrids using solid-state and liquid-state routes such as polyopl, mixed solvents, ionic liquids, and microwave-assisted hydrothermal/solvothermal methods are analyzed in detail. In addition, the principles of microwave heating in liquid and solid states, the use of metals particles as arcing agents or catalysts, and carbonaceous materials as internal or external susceptors during synthesis and modifications are presented in detail.

25 ENERGY STORAGE↗
DOE OSTI2019

Accessing sequence specific hybrid peptoid oligomers with varied pendant group spacing

The synthesis of β-peptoids (i.e., N-substituted β-alanine oligomers) 10 or more residues in length has proven challenging owing to poor coupling efficiency even after extended reaction times, resulting in the substantial generation of deletion sequences and consequently making purification of the target oligomer challenging. To overcome the limitations of conventional approaches, in this report we examine a synthetic method to rapidly yield sequence specific β- and γ-peptoids with 4–20 repeat units in high purity via alternating monomer addition and deprotection reactions using Fmoc-protected, N-substituted β-alanine- and γ-aminobutyric acid-based monomers in conjunction with microwave-assisted automated solid phase synthesis. By decoupling the secondary amine generation and the oligomer synthesis, this approach circumvents the relatively low reaction efficiency of primary amine alkylation with halogenated propionic or butyric acid to afford secondary amines while retaining the pendant group chemical diversity offered by α-peptoids. We establish the compatibility of this technique with conventional Fmoc-peptide and ‘submonomer’ peptoid syntheses by fabricating several hybrid oligomer sequences including long β- and γ-peptoid oligomers in addition to hybrid α/β, β/peptide, and α/β/γ-systems, thereby confirming the capacity for this approach to yield oligomers with a backbone spacing of three or more atoms between any two residues. Additionally, we demonstrate that mixtures of aromatic amine- and aldehyde-bearing β-peptoids undergo rapid dynamic covalent assembly to afford oligomeric molecular ladders.

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

Polymerizations of 2-(Trimethylsilyl)ethanesulfonyl-activated aziridines

A novel N-sulfonyl aziridine, N-((2-(trimethylsilyl)ethyl)sulfonyl)-2-methyl-aziridine (SES-MeAz) was synthesized, and its controlled anionic ring-opening polymerization to form poly(SES-MeAz) studied. The desulfonylation of poly(SES-MeAz)s can be achieved under mild conditions, with tetrabutylammonium fluoride (TBAF) to form polypropylene imine (PPI), although purification of the PPI was not completely successful. The block copolymer p(pTs-MeAz)-b-p(SES-MeAz), (pTs-MeAz = N-para-tosyl-2-methyl-aziridine) was prepared by a sequential polymerization. The desulfonylation of the block copolymer is the first example of the selective removal of a sulfonyl protecting group from a poly(sulfonylazirdine) block copolymer and this is the first formation of a polysufonylaziridine-block-polypropylene imine copolymer. Three-armed star-shaped poly(SES-MeAz)s were also successfully synthesized and exhibited improved solubility compared with linear poly(SES-MeAz)s.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Determination of origin and intended use of plutonium metal using nuclear forensic techniques

Nuclear forensics techniques, including micro-XRF, gamma spectrometry, trace elemental analysis and isotopic/chronometric characterization were used to interrogate two, potentially related plutonium metal foils. These samples were submitted for analysis with only limited production information, and a comprehensive suite of forensic analyses were performed. Resulting analytical data was paired with available reactor model and historical information to provide insight into the materials’ properties, origins, and likely intended uses. Both were super-grade plutonium, containing less than 3% 240 Pu, and age-dating suggested that most recent chemical purification occurred in 1948 and 1955 for the respective metals. Additional consideration of reactor modelling feedback and trace elemental observables indicate plausible U.S. reactor origin associated with the Hanford site production efforts. In conclusion, based on this investigation, the most likely intended use for these plutonium foils was 239 Pu fission foil targets for physics experiments, such as cross-section measurements, etc.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Recovery of DNA from fired and unfired cartridge casings: comparison of two DNA collection methods

For over 10 years, various studies have attempted to increase the recovery of DNA from ammunition by modifying the DNA collection, extraction, purification, and amplification procedures, with varying levels of success. This study focused on the “soaking” method of Montpetit & O’Donnell [1] and the “rinse-and-swab" method of Bille et al. [2]. First, testing for the presence of exogenous DNA, 210 boxed cartridges (brass, steel, and nickel-plated) from nine manufacturers were swabbed and DNA was extracted, concentrated, and quantified. Extracts that quantified > 0 ng/µL (44 of 210) were amplified and genotyped with GlobalFiler™. Of those, only one extract yielded two alleles indicating that the manufacturing and packaging of ammunition was virtually DNA free. Next, to obtain a baseline comparison of two DNA collection methods on a non-metallic substrate and identify a suitable number of cells to spot on cartridges, different DNA input amounts of primary human adult epidermal keratinocytes (HEKa) were tested. Thereafter, 300 brass and 300 nickel-plated, cartridges were spotted with HEKa cells containing ~5 ng of DNA, fired or unfired, and processed with either method. Finally, five methods representing hybrids of the soaking and rinse-and-swab methods were tested to determine if variations of those methods could be used to increase DNA yield and recovery. The results show that the soaking method consistently yielded more DNA than the rinse-and-swab method from a non-metallic substrate. However, the comparison study demonstrated that both methods performed comparably for cartridges. On average, the soaking method recovered 0.25 ng of DNA (5.1% recovery) and the rinse-and-swab method recovered 0.28 ng (5.8% recovery). However, average recoveries were significantly different among three analysts and considerable variation in yields were observed, possibly due to storage time. Furthermore, consistent with prior reports, the DNA recovered from brass casings was only 16% of that recovered from nickel-plated casings and the average yield of DNA from fired casings was reduced to 67% of unfired casings. Moreover, DNA extracts from brass or nickel-plated casings did not appear to contain amplification inhibitors and only 30/596 appeared severely degraded. Finally, both the published rinse-and-swab and soaking methods yielded more DNA than all modifications of the two methods. Overall, both methods yielded equivalent DNA quantities. Additionally, recovery of DNA from any given cartridge casing may be dependent on storage time as well as the skill, proficiency, and experience of the analyst and may reflect stochastic effects, particularly for casings containing low copy and/or degraded DNA.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2012

Comparison of direct transesterification of algal biomass under supercritical methanol and microwave irradiation conditions

In this comparative study, direct conversion of algal biomass into biodiesel using supercritical methanol (SCM) and microwave-assisted (MW) transesterification methods was investigated. Wet algal biomass was used as feedstock in the supercritical methanol process and dry algal biomass for the microwaveassisted transesterification. Experimental runs were designed using a response surface methodology and the process parameters such as wet/dry algae to methanol ratio, reaction temperature, reaction time and catalyst concentrations were optimized for both processes. The microwave-assisted approach improves extractions of algae significantly, with a higher efficiency, reduced extractive- ransesterification time and increased yield. While the non-catalytic supercritical methanol method produces highly purified extracts (free of harmful solvents and catalyst residues), and reduces energy consumption in separation and purification steps. The algal biodiesel samples from SCM and MW processes were compared using FT-IR and TGA analysis methods to identify the functional group attributions and thermal stability of the biofuel samples, respectively. The transmission electron microscopy (TEM) analysis of algal biomass and lipid extracted algae (LEA) and energy requirements for the two processes are also presented.

09 BIOMASS FUELS↗
DOE OSTI2022

Non-equilibrium molecular dynamics simulation to evaluate the effect of confinement on fluid flow in silica nanopores

The flow of fluids in nano-confinement has applications in separations, water purification, medical systems and in the recovery of fluids in petroleum systems. It is believed that fluids do not obey continuum laws when flowing in nanopores (or in confinement). This paper attempts to shed light on various nano confinement effects such as fluid-wall interactions, pore size and molecular geometry, using molecular dynamic simulation. Here, water, hexane, and methanol flow behaviors were simulated for pore diameters ranging from 1 to 8 nm. In addition to the density analysis of the confined fluids, the fluid flows in saturated nanopores were simulated by the sectional flow method. Water and methanol molecules were completely stabilized in the 1 nm pore. Hexane molecules could not enter the 1 nm pore, due to geometric considerations. For the 2 – 8 nm pores, all fluids showed reduced flow rate compared to the Hagen–Poiseuille flow, due to an interfacial molecular layer stabilized at the pore surface. Flow reduction observed in these studies is contrary to significant flow enhancements observed for fluid flow in carbon nanotubes of similar dimensions. Water flow showed almost constant stick length for all the pore sizes. Methanol flow had the largest stick length. Hexane flow was reduced because of overcrowding of molecules at the pore surface. The effect of confinement diminished with an increase in pore diameter.

42 ENGINEERING↗
DOE OSTI2018

Evaluation of getters for methane and ammonia decomposition

Getters are used in many tritium purification systems for impurity removal. One getter material, SAES® ST909, can be used to decompose various impurities (methane, carbon oxides, ammonia and others), and release the hydrogen bound in these compounds for further processing. Because, ST909 absorbs eight to nine percent of its initial weight in nitrogen, alternate materials may provide greater operational flexibility to accommodate variable operating carrier gases. The gettering capability of ST909 is related to the tri-metallic alloy (zirconium, manganese, and iron) composition. However, simply using a material with the same composition may not provide similar methane and ammonia decomposition conversion efficiency. For this testing, alternative materials to ST909 are compared to track methane and ammonia decomposition performance. Bench scale tests were performed at elevated temperature using various gas mixtures. Changes in methane and ammonia decomposition performance were tracked using RGA analysis during bench scale testing. Analytical comparisons of chemically equivalent materials to ST909 were also performed and correlated to bench scale test results. Characterization testing performed to evaluate chemically equivalent materials included: X-ray fluorescence, X-ray diffraction, and inductively coupled plasma-mass spectrometry (ICP-MS). Results are expounded upon and differences in gettering capability of alternate materials are highlighted.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Highly efficient phosphorescence from cyclometallated iridium(III) compounds: Improved syntheses of picolinate complexes and quantum chemical studies of their electronic structures

In this work, we report a new method to make heteroleptic cyclometallated iridium(III) complexes that employs 1,2-dimethoxyethane (DME) instead of the commonly used 2-ethoxyethanol for the addition of ancillary ligands to chloro-bridged dimeric iridium species. Thus, picolinic acid was quickly and cleanly added to [(F 2 ppy)2Ir(Cl)]2 (where F 2 ppy=2-(4',6'-difluorophenyl)pyridinato) with base under DME reflux to afford (F 2 ppy) 2 Ir(picolinate) (FIrpic) in excellent yield. The high purity of the products obviates the need for further purification, an improvement over the common route in which column chromatography is required. We prepared eleven picolinate complexes by this route, eight of which were characterized by single crystal x-ray diffraction. The complexes possess the same distorted octahedral geometry with two bidentate phenylpyridine ligands and one bidentate 2-picolinate ligand. All of the compounds exhibited efficient phosphorescence with colors ranging from blue to orange; photophysical measurements revealed emission quantum yields as high as 0.92, while most surpassed 0.5. Time-dependent density functional theory calculations, coupled with the use of natural transition orbitals (NTOs), allowed a detailed interpretation of the electronic structures for the complexes. The nature of the acceptor orbital for the lowest-energy triplet state NTO was discovered to be an important predictor for the emission spectra of FIrpic and its congeners.

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

A green degumming approach for lignocellulosic kenaf bast using ethanolamine deep eutectic solvent

Traditional chemical degumming methods for lignocellulosic bast fibers pose substantial challenges, especially when dealing with kenaf bast, which has a high lignin content. Here, these challenges include severe pollution and low efficiency, etc. Therefore, this study developed a novel, green, and efficient degumming approach for lignocellulosic kenaf bast, leveraging choline chloride-ethanolamine (ChCl-ETA) alkaline deep eutectic solvent (DES). The efficacy of the ChCl-ETA DES based degumming method was validated through comprehensive chemical composition analysis, scanning electron microscopy (SEM), Fourier transform infrared (FT-IR) spectroscopy, X-ray diffraction (XRD), thermogravimetric analysis (TG), and two-dimensional (2D) nuclear magnetic resonance (NMR) spectroscopy. Subsequently, the optimal degumming conditions, with a choline chloride to ethanolamine ratio of 1:6 and a degumming temperature of 120 °C, were determined based on the results of the residual gum content. Significantly, the recycled ChCl-ETA DES mixtures could maintain a degumming capacity (revealed by the residual gum content of degummed fibers) comparable to that of the conventional double-boiling method for at least five degumming cycles without purification. Given its low-pollution process and high efficiency, this developed method holds great potential for industrial-scale applications of lignocellulosic bast fibers.

Choline chloride↗
DOE OSTI2024

Isotope exchange of ND 3 on Pt catalyst-loaded 13X molecular sieve

During D-T fusion operations the capture, purification, and recycling of unburned tritium will be crucial, as the formation of tritium containing molecules require additional processing. Here, removing the tritium can require costly processing to be unbound from the tritium-containing molecules and improvements to these processes will be necessary moving forward. Existing techniques using sorbent material beds to remove tritium-containing molecules from process gas streams undergo repeated high-heat cycling which leads to diminished bed lifespans, necessitating replacement and associated downtime. This work demonstrates the capture and isotopic exchange technique of deuterated ammonia (ND3), used as a surrogate for tritium, at ambient temperature using a Pt catalyst-loaded 13X molecular sieve. Unmodified 13X molecular sieve is capable of adsorbing and retaining the ND3 however, incorporation of a catalyst facilitates the isotopic exchange of the hydrogen isotopes. The effluent gas streams were analyzed in conjunction with desorbed ammonia isotopologues post-exchange to verify these results. Isotopically exchanging and removing heavier hydrogen isotopes using this technique provides an alternative to traditional removal methods.

08 HYDROGEN↗
DOE OSTI2026

Effects of gas purity on backgrounds of collision reaction cell-equipped MC-ICP-MS

The advent of multi-collector inductively coupled plasma mass spectrometry (MC-ICP-MS) instruments equipped with collision reaction cells (CRCs) facilitates interference removal/mitigation via online gas phase separations. This approach has proven effective for high intensity ion beams measured on Faraday collectors; however, it has been observed that introduction of gas in the CRC can result in significant background signals relative to the more sensitive ion counters. These backgrounds hinder use of these instruments for low level concentration and isotopic ratio measurements when employing a reaction gas. Here, this work directly evaluates the effect of gas purity on backgrounds of CRC-MC-ICP-MS instruments. Introducing high-purity research grade O 2 (99.999%) into the CRC produces complex background spectra with intensities >10 4 cps observed at most masses across the measured mass range (7-300 m / z ). Some features of the observed spectra (i.e., positive mass defects) can be attributed to molecular compounds comprised of significant hydrogen. Additionally, some specific molecular species can be identified (i.e., MoO x H y + ) and appear to be derived from molybdenum rods comprising the CRC. Further purifying the gas reduces the intensity of these backgrounds by several orders of magnitude, to <10 2 cps in many cases, and reduces complexity of the resulting spectra. This reduction in background appears to be in part driven by removal of impurities (i.e., H 2 O) from the gas. This work demonstrates that additional purification of reaction gases prior to introduction into the CRC significantly reduces backgrounds detected, potentially expanding the utility of CRC-MC-ICP-MS for making low level measurements using inline gas phase ion separations.

Schlieder, Tyler D. [Pacific Northwest National La↗
DOE OSTI2023

Acceleration of Pd-V intermetallic diffusion by hydrogen

Vanadium-based membranes have great potential for hydrogen purification due to their perfect selectivity, high permeability, and relatively low cost. With appropriate surface cleaning, V efficiently permeates hydrogen at elevated temperature, but performance declines due to its affinity to absorb impurities. Here, the application of palladium thin films maintains a clean surface that catalyzes hydrogen dissociation and recombination. Hydrogen permeation in Pd-V-Pd membranes initially reach theoretical permeability, but declines due to Pd-V interdiffusion. The objective of this work was to quantify the intermetallic diffusion process as a function of temperature and ambient. Pd-V composites were subjected to various annealing treatments and characterized using Auger electron spectroscopy, X-ray diffraction, and energy dispersive X-ray spectroscopy, as well as correlated to measurements of membrane permeability. In an inert environment Pd-V interdiffusion was observable as low as 300 °C, and the diffusion coefficient had an activation energy of 44 kJ/mol. Furthermore, the presence of hydrogen at partial pressures > 10 kPa accelerated interdiffusion six-fold at T = 400 °C. Membrane performance degraded with an activation energy 75 kJ/mol, suggesting that intermetallic diffusion leads to both a loss of catalytic activity and as well as degradation of bulk permeability. These findings provide a baseline for evaluating hydrogen permeable interdiffusion barriers to overcome these challenges.

08 HYDROGEN↗