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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Influence of Ether-Functionalized Pyrrolidinium Ionic Liquids on Properties and Li + Cation Solvation in Solvate Ionic Liquids

Ionic liquids are tunable solvents composed entirely of ions that have properties desirable as electrolytes for lithium batteries such as non-flammability and a large electrochemical stability window. Solvate ionic liquids are a subclass of ionic liquids that consist of a glyme-based solvent and lithium salt in an equimolar ratio, where Li + cation-glyme solvation interactions result in ionic liquid-like properties. LiG4TFSi is a well-studied solvate ionic liquid consisting of equimolar amounts of lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) and tetraglyme (G4). In this work, pyrrolidinium ionic liquids with ether-functionalized side chains were synthesized containing either one ether (EO1) moiety or three ether (EO3) moieties and mixed with LiG4TFSI to form a new class of electrolyte mixtures. Their physical and transport properties, as well as ion solvation structures, were characterized by electrochemical, thermal, rheological, and spectroscopic measurements. The conductivity of the electrolyte mixture composed of EO1:LiTFSI:G4 in a 1:1:1 molar ratio is 2.54 mS/cm at 30 °C, compared to 1.53 mS/cm for LiG4TFSI, an increase of 67%. A significant decrease in the conductivity to 0.279 mS/cm is observed for the EO3:LiTFSI:G4 mixture in a 1:1:0.4 molar ratio. Pulsed-field gradient nuclear magnetic resonance (PFG-NMR) measurements revealed that the EO1 cation diffuses significantly faster than the EO3 cation in their respective mixtures. Liquid-state 13 C NMR experiments indicate that Li + cations preferentially coordinate with tetraglyme. Li + cations do not coordinate with the EO1 cation and only coordinate with EO3 ether side chains at lower concentrations of tetraglyme. We hypothesize that the oligoether EO3 cation competes with G4 and TFSI - for lithium cation solvation in G4 deficient compositions, leading to a largely adverse effect on the mass transport properties of the electrolyte.

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

Design and Validation of a High-Throughput Reductive Catalytic Fractionation Method

Reductive catalytic fractionation (RCF) is a promising method to extract and depolymerize lignin from biomass, and bench-scale studies have enabled considerable progress in the past decade. RCF experiments are typically conducted in pressurized batch reactors with volumes ranging between 50 and 1000 mL, limiting the throughput of these experiments to one to six reactions per day for an individual researcher. Here, we report a high-throughput RCF (HTP-RCF) method in which batch RCF reactions are conducted in 1 mL wells machined directly into Hastelloy reactor plates. The plate reactors can seal high pressures produced by organic solvents by vertically stacking multiple reactor plates, leading to a compact and modular system capable of performing 240 reactions per experiment. Using this setup, we screened solvent mixtures and catalyst loadings for hydrogen-free RCF using 50 mg poplar and 0.5 mL reaction solvent. The system of 1:1 isopropanol/methanol showed optimal monomer yields and selectivity to 4-propyl substituted monomers, and validation reactions using 75 mL batch reactors produced identical monomer yields. To accommodate the low material loadings, we then developed a workup procedure for parallel filtration, washing, and drying of samples and a 1H nuclear magnetic resonance spectroscopy method to measure the RCF oil yield without performing liquid-liquid extraction. As a demonstration of this experimental pipeline, 50 unique switchgrass samples were screened in RCF reactions in the HTP-RCF system, revealing a wide range of monomer yields (21-36%), S/G ratios (0.41-0.93), and oil yields (40-75%). These results were successfully validated by repeating RCF reactions in 75 mL batch reactors for a subset of samples. We anticipate that this approach can be used to rapidly screen substrates, catalysts, and reaction conditions in high-pressure batch reactions with higher throughput than standard batch reactors.

BIOMASS FUELS,INORGANIC, ORGANIC, PHYSICAL, AND AN↗
DOE OSTI2019

Structure and chemical stability in perovskite–polymer hybrid photovoltaic materials

Adding polymers to methylammonium lead iodide perovskite solar cell active layers has been previously shown to increase their chemical stability, but stabilization mechanisms in these hybrid materials are poorly understood. We report here on a structural and spectroscopic analysis in a number of perovskite–polymer hybrid materials and compare their stability. We observed that perovskite crystallite sizes decrease with the addition of polymers (polyethylene glycol, polyethyleneimine, poly(acrylic acid) and polyvinylpyrrolidone), and through the use of nanomechanical AFM showed phase contrast in the perovskite–polymer mixture. NMR and single-crystal growth experiments reveal that acid–base interactions, as well as facet-dependent interfacial interactions between perovskite and polymer, contribute to differences in stabilities of these hybrid materials. The polymers investigated tend to suppress the formation of a hydrate crystal phase that accelerates the degradation reaction, and we report that adding poly(acrylic acid) increases significantly the stability of perovskite films under humid air and ambient illumination. Under these controlled degradation conditions, perovskite–poly(acrylic acid) hybrid solar cells maintain stable efficiency for the first 3 days and then slowly degrade over the next 6 days under humid air and illumination, whereas control perovskite solar cells degrade entirely within the first 2 days. Furthermore, these results highlight the importance of choosing suitable functional groups in the polymer phase of perovskite hybrid solar cells to prolong their device lifetime.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Investigation of an ion-ion hybrid Alfven wave resonator

A theoretical and experimental investigation is made of a wave resonator based on the concept of wave reflection along the confinement magnetic field at a spatial location where the wave frequency matches the local value of the ion-ion hybrid frequency. Such a situation can be realized by shear Alfven waves in a magnetized plasma with two ion species because this mode has zero parallel group velocity and experiences a cut-off at the ion-ion hybrid frequency. Since the ion-ion hybrid frequency is proportional to the magnetic field, it is expected that a magnetic well configuration in a two-ion plasma can result in an Alfven wave resonator. Such a concept has been proposed in various space plasma studies and could have relevance to mirror and tokamak fusion devices. This study demonstrates such a resonator in a controlled laboratory experiment using a H{sup +}-He{sup +} mixture. The resonator response is investigated by launching monochromatic waves and impulses from a magnetic loop antenna. The observed frequency spectra are found to agree with predictions of a theoretical model of trapped eigenmodes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Ultrahigh pressure equation of state of tantalum to 310 GPa

The isothermal compression of transition metal tantalum ( Ta ) was studied in a diamond anvil cell by x-ray diffraction utilizing rhenium ( Re ) and gold ( Au ) as internal x-ray pressure standards. The Re pressure marker was employed during non-hydrostatic compression to pressures up to 310 GPa while the Au pressure marker was used during quasi-hydrostatic compression in a neon pressuretransmitting medium to 80 GPa. Two ultra-high pressure experiments were conducted on Ta and Re mixtures utilizing focused-ion beam machined toroidal diamond anvils with central flats varying from 8 microns to 16 microns in diameter. The Ta metal was observed to be stable in the body-centered-cubic phase to a volume compression V/V 0 = 0.581. The measured equations of state (EOS) of Ta using two different calibrations of the Re pressure marker are compared with the ambient temperature isotherm derived from shock compression data. We provide a detailed analysis of EOS fit parameters for Ta under quasi-hydrostatic and non-hydrostatic conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Collinear dual-pulse laser optical breakdown and energy deposition

A non-equilibrium model for laser-generated plasmas is used to represent collinear dual nano-second-pulse interactions. In the specific case considered, the breakdown is initiated with an ultraviolet (UV) laser pulse at 266 nm, which pre-ionizes the gas, and it is followed by a near-infrared (NIR) pulse at 1064 nm, which deposits significant energy into the ionized mixture. The model is validated against corresponding experiments, and simulation results are interrogated to understand key features of the plasma-kernel dynamics and the post-discharge hydrodynamics. The hydrodynamics of the non-equilibrium plasma is governed by the two-temperature Navier–Stokes equations accounting for both multiphoton ionization and inverse bremsstrahlung. The interaction between the laser beam and the plasma is modeled based on the radiative transfer equation. The temporal and spatial offsets of the two pulses can generate ionization kernels with different topology and dynamics. It is shown that the UV pre-ionization pulse can tailor the plasma region, leading to a larger ionized volume than would occur for a single-pulse breakdown, and it increases the efficiency of the energy deposition for the following NIR discharge. Vorticity in the early post-discharge phase is generated via baroclinic torque from the misalignment of the radial gradient of density (sudden gas expansion) and the strong pressure gradient (initiated by energy deposition from the laser beam). It is predicted that the collinear dual pulse can be designed to specify the plasma kernel size, shape, and maximum temperature in the breakdown phase, and the initial post-breakdown vorticity and plasma-core decay.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Two-dimensional mapping of absolute OH densities in an atmospheric pressure plasma effluent via planar laser-induced fluorescence: effects of He/H 2 O and He/O 2 mixtures in N 2 and air, with and without solid targets

Planar laser-induced fluorescence (LIF) was employed to measure the absolute density of hydroxyl radicals (OH) in the effluent of the COST Reference Microplasma Jet for two feed gas mixtures: He/H 2 O and He/O 2 . Experiments were conducted with the effluent propagating into air and N 2 environments. For the He/H 2 O case, measurements were also performed with the effluent impinging on a solid target at varying distances from the jet nozzle. Calibration of the OH-LIF signal from the COST-Jet was achieved by comparing it to a reference signal generated by the photofragmentation of H 2 O 2 . Results demonstrated that OH densities were sustained longer when the effluent propagates in a nitrogen environment compared to air, particularly with water added to the feed gas. The broader OH distribution in N 2 suggests slower consumption due to the absence of oxygen, which accelerates OH depletion in air via reactions involving O 2 and HO 2 . Even when water was not added to the feed, as in the He/O 2 case, appreciable OH densities were observed, due to gas impurities and reactive species interactions with atmospheric humidity, forming reaction fronts that delineate the gas flow. Two-dimensional fluid dynamics simulations elucidated the influence of atmospheric gas entrainment and solid targets on the OH distribution. Experimental trends were further compared with a zero-dimensional chemistry model to explore OH production and consumption mechanisms in air and nitrogen environments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Fluctuating hydrodynamics of multispecies nonreactive mixtures

In this study we discuss the formulation of the fluctuating Navier-Stokes equations for multispecies, nonreactive fluids. In particular, we establish a form suitable for numerical solution of the resulting stochastic partial differential equations. An accurate and efficient numerical scheme, based on our previous methods for single species and binary mixtures, is presented and tested at equilibrium as well as for a variety of nonequilibrium problems. These include the study of giant nonequilibrium concentration fluctuations in a ternary mixture in the presence of a diffusion barrier, the triggering of a Rayleigh-Taylor instability by diffusion in a four-species mixture, as well as reverse diffusion in a ternary mixture. Finally, good agreement with theory and experiment demonstrates that the formulation is robust and can serve as a useful tool in the study of thermal fluctuations for multispecies fluids.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Influence of quantum effects on the initiation of ignition and detonation

A theoretical analysis that allows one to quantify the quantum corrections to the rate constants of endothermic reactions associated with an increase in the high-energy tails of the momentum distribution functions at high pressures due to a manifestation of the uncertainty principle for the energy of the colliding particles at a high collision frequency is performed. The initiation of ignition of hydrogen-oxygen mixtures is investigated and special series of experiments on the initiation of detonation waves of condensation in carbon suboxide and acetylene at elevated pressures near the low-temperature limits have been carried out. The experimentally observed deviations in the Arrhenius dependences of the induction periods of the initiation of hydrogen ignition and detonation waves of condensation are shown to be well described by the proposed quantum corrections.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Ediesel: Diesel Additive production from ethanol and bio-diesel coproducts

This project has focused on supporting and expanding the U.S. ethanol industry by developing new conversion routes and products from ethanol and the byproducts made in ethanol fermentation. The work is relevant to the DOE program goals of developing high-margin chemical products in the biorefinery to economically support large-scale biofuel production. The higher alcohols from condensation of ethanol, alkylated amine compounds made by electrocatalytic alkyation, and fusel alcohols produced by modified fermentation microorganisms are all existing or potentially large-scale commodity or specialty chemicals with well-defined uses in industry. The formation of higher alcohols from ethanol in the condensed phase developed several catalysts, first in stirred batch autoclave reactors and then in a continuous flow reactor system, to achieve significant yields of n-butanol and higher alcohols. The best selectivity to higher alcohols exceeded 80% of theoretical at ethanol conversions of 30-40%. From the laboratory experiments and analysis of the phase equilibria of the species involved, a process concept was generated and simulated in AspenPlus to determine the specifications of the various equipment involved in the process. Results show that for the conversion and selectivity described above, the required n-butanol selling price of ~$1.60/kg is in the range of current n-butanol selling price in the marketplace. Several additional permutations of the process, along with evaluation of higher conversion and selectivities to desired alcohol products, showed that the production of n-butanol from ethanol should be competitive in the marketplace as the science and engineering behind the process improves with continued development. A second aspect of the project focused on producing fusel alcohols in increased quantities during ethanol fermentation. Fusel alcohols, which are composed primarily of isoamyl alcohol and minor quantities of C3-C6 alcohols, have potential as higher value feed stocks for specialty chemical production. Several strains of yeast were evaluated for fusel alcohol production, and the most efficient process for separating and purifying fusel alcohols was developed from both experiments and simulation. Finally, model fusel alcohol mixtures were subjected to condensation reactions with ethanol to prepare higher alcohols that again have potential for specialty chemical or solvent applications. In this preliminary work, measurable quantities of several species were observed, including some species that were previously unknown or uncharacterized in the literature. The third aspect of the project involved the electrocatalytic alkylation of amines with alcohols to form alkyl amines. Ethanol has been demonstrated to serve as an effective ethyl group transfer agent to the nitrogen centers of amines, a reaction with only water as a byproduct. Mild reaction conditions (60 °C, aqueous solution) are enabled by the novel use of simple, undivided electrochemical cell reactors that include long-lived, low cost catalytic electrodes. Direct polyalkylation of ammonia and isolation of the resulting triethylamine product was readily achieved in high yield. Though classical high temperature and pressure industrial scale alkylations reactions will likely continue to be used for production of simple product such as triethylamine, this approach has opened the door to the low cost, low waste use of ethanol and related primary and secondary alcohols to alkylate more delicate amines that were heretofore difficult to synthesize.

02 PETROLEUM↗
NASA NTRS1980

Development of biological and nonbiological explanations for the Viking label release data

The plausibility that hydrogen peroxide, widely distributed within the Mars surface material, was responsible for the evocative response obtained by the Viking Labeled Release (LR) experiment on Mars was investigated. Although a mixture of gamma Fe2O3 and silica sand stimulated the LR nutrient reaction with hydrogen peroxide and reduced the rate of hydrogen decomposition under various storage conditions, the Mars analog soil prepared by the Viking Inorganic Analysis Team to match the Mars analytical data does not cause such effects. Nor is adequate resistance to UV irradiation shown. On the basis of the results and consideration presented while the hydrogen peroxide theory remains the most, if not only, attractive chemical explanation of the LR data, it remains unconvincing on critical points. Until problems concerning the formation and stabilization of hydrogen peroxide on the surface of Mars can be overcome, adhere to the scientific evidence requires serious consideration of the biological theory.

Source record↗
NASA NTRS1980

Hot isostatic pressing of silicon nitride Sisub3n4 containing zircon, or zirconia and silica

A hydrothermal synthesis apparatus with a 10 KB cylinder was used to obtain a sintered body of silicon nitride. The sintering auxiliary agents used were zircon (ZrSiO4) and a mixture of zirconia (ZrO2) and silica (SiO2). Experiments were conducted with the amounts of ZrSi04 or ArO2 and SiO2 varying over a wide range and the results compared to discover the quantity of additive which produced sintering in silicon nitride by the hot pressing method.

Somiya, S.↗
NASA NTRS1985

High temperature oxidation of propene

An ignition delay correlation is established for propene-oxygen-argon mixtures on the basis of over 100 experiments with component concentrations being in the ranges of 0.6-1.6 percent for propene and 2.7-14.4 percent for oxygen diluted in argon. Temperatures in the range of 1274-1840 K were achieved, with average initial pressures ranging from 50 to 133 torr. Furthermore, standard numerical solutions were obtained using LSODE and CHEMEQ integration techniques, covering 59 reactions and 29 species. The partial agreement between the results indicates that the scheme used is adequate but incomplete. Two possible oxidative path-determining loops were identified, though neither was found conclusively superior to the other.

Burcat, A.↗
NASA NTRS1985

An experimental investigation of agglutinate melting mechanisms - Shocked mixtures of sodium and potassium feldspars

The results of an experiment designed to test the validity of the model for agglutinate formation involving fusion of the finest fraction or F3 are reported. Impact glasses were formed from various mixes of orthoclase and albite powders, which were used as analogs for soils with chemically constrasting coarse and fine fractions. The results showed that the single most important factor displacing the composition of a small-scale impact melt from the bulk composition of the source regolith is the fractionated composition of the finest soil fraction. Volatile loss and the amount of melting, which in turn are determined by the degree of shock, are also important. As predicted by the model, the lower pressure melts are the most fractionated, and higher pressure is accompanied by increased melting causing glass compositions to approach the bulk. In general, the systematics predicted by the model are observed; the model appears to be valid.

Simon, S. B.↗
NASA NTRS1990

Universal adsorption at the vapor-liquid interface near the consolute point

The ellipticity of the vapor-liquid interface above mixtures of methylcyclohexane (C7H14) and perfluoromethylcyclohexane (C7F14) has been measured near the consolute point T(c) = 318.6 K. The data are consistent with a model of the interface that combines a short-ranged density-vs height profile in the vapor phase with a much longer-ranged composition-versus-height profile in the liquid. The value of the free parameter produced by fitting the model to the data is consistent with results from two other simple mixtures and a mixture of a polymer and solvent. This experiment combines precision ellipsometry of the vapor-liquid interface with in situ measurements of refractive indices of the liquid phases, and it precisely locates the consolute point.

Schmidt, James W.↗
NASA NTRS2003

A First Attempt to Simulate the Natural Formation of Meteoritic Organics

Our working hypothesis in these experiments is that meteoritic organics are a mixture of materials made both in the interstellar medium and in the solar nebula that were further processed within meteorite parent bodies to produce what we see today. The material synthesized in the pre-solar environment is currently under study in several laboratories, though to our knowledge none are investigating the changes that might occur as the result of metamorphic processes on the parent body itself. Material made in the Solar Nebula results from a Fischer-Tropsch type (FTT) synthesis as CO and H2 react on grain surfaces to make methane, as well as more complex species. The products of these reactions using natural catalysts have been well-studied and a calculation of the potential efficiency of FTT reactions in the solar nebula demonstrates that they could contribute significantly to the composition of material near 3 AU.

Gardner, Kathryn↗
NASA NTRS2007

A Supersonic Argon/Air Coaxial Jet Experiment for Computational Fluid Dynamics Code Validation

A non-reacting experiment is described in which data has been acquired for the validation of CFD codes used to design high-speed air-breathing engines. A coaxial jet-nozzle has been designed to produce pressure-matched exit flows of Mach 1.8 at 1 atm in both a center jet of argon and a coflow jet of air, creating a supersonic, incompressible mixing layer. The flowfield was surveyed using total temperature, gas composition, and Pitot probes. The data set was compared to CFD code predictions made using Vulcan, a structured grid Navier-Stokes code, as well as to data from a previous experiment in which a He-O2 mixture was used instead of argon in the center jet of the same coaxial jet assembly. Comparison of experimental data from the argon flowfield and its computational prediction shows that the CFD produces an accurate solution for most of the measured flowfield. However, the CFD prediction deviates from the experimental data in the region downstream of x/D = 4, underpredicting the mixing-layer growth rate.

Clifton, Chandler W.↗