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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 1,135 records · Page 63
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Transport and Energetics of Carbon Dioxide in Ionic Liquids at Aqueous Interfaces

A major hurdle in utilizing carbon dioxide (CO 2 ) lies in separating it from industrial flue gas mixtures and finding suitable storage methods that enable its application in various industries. To address this issue, we utilized a combination of molecular dynamics simulations and experiments to investigate the behavior of CO 2 in common room-temperature ionic liquids (RTIL) when in contact with aqueous interfaces. Here, our investigation of RTILs, [EMIM][TFSI] and [OMIM][TFSI], and their interaction with a pure water layer mimics the environment of a previously developed ultrathin enzymatic liquid membrane for CO 2 separation. We analyzed diffusion constants and viscosity, which reveals that CO 2 molecules exhibit faster mobility within the selected ILs compared to what would be predicted solely based on the viscosity of the liquids using the standard Einstein–Stokes relation. Moreover, we calculated the free energy of translocation for various species across the aqueous–IL interface, including CO 2 and HCO 3 – . Free energy profiles demonstrate that CO 2 exhibits a more favorable partitioning behavior in the RTILs compared to that in pure water, while a significant barrier hinders the movement of HCO 3 – from the aqueous layer. Experimental measurement of the CO 2 transport in the RTILs corroborates the model. These findings strongly suggest that hydrophobic RTILs could serve as a promising option for selectively transporting CO 2 from aqueous media and concentrating it as a preliminary step toward storage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Aggregation of heteropolyanions in aqueous solutions exhibiting short-range attractions and long-range repulsions

Charged colloids and proteins in aqueous solutions interact via short-range attractions and long-range repulsions (SALR) and exhibit complex structural phases. These include homogeneously dispersed monomers, percolated monomers, clusters, and percolated clusters. We report the structural architectures of simple charged systems in the form of spherical, Keggin-type heteropolyanions (HPAs) by small-angle X-ray scattering (SAXS) and molecular dynamics (MD) simulations. Structure factors obtained from the SAXS measurements show that the HPAs interact via SALR. Concentration and temperature dependences of the structure factors for HPAs with –3e (e is the charge of an electron) charge are consistent with a mixture of nonassociated monomers and associated randomly percolated monomers, whereas those for HPAs with –4e and –5e charges exhibit only nonassociated monomers in aqueous solutions. Our experiments show that the increase in magnitude of the charge of the HPAs increases their repulsive interactions and inhibits their aggregation in aqueous solutions. MD simulations were done to reveal the atomistic scale origins of SALR between HPAs. As a result, the short-range attractions result from water or proton-mediated hydrogen bonds between neighboring HPAs, whereas the long-range repulsions are due to the distributions of ions surrounding the HPAs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Dielectric Properties of Organic Solvents in an Electric Field

The effect of an external electric field ( E ) on the dielectric constant (ε) of several pure solvents [propylene carbonate (PC), ethylene carbonate (EC), acetonitrile (MeCN), and dimethyl carbonate (DMC)] and for several EC/DMC mixtures is explored using classical molecular dynamics simulation. Force fields were chosen that accurately predict the density and zero-field dielectric constant with respect to experiment. The simulation results for ε( E ) for field strengths up to 0.4 V/Å are calculated and fit to the Booth model, which is a standard functional form for the dependence of the dielectric constant on electric field. For PC and DMC, the Booth model gives an excellent representation of the data at all electric fields studied. For EC and MeCN, the Booth model works well at lower field strengths (up to 0.15 and 0.2 V/Å, respectively), but at the higher electric fields, these systems are observed to crystallize, a phenomenon referred to as electrofreezing . In conclusion, this work will provide useful input data for the continuum modeling of devices, such as electric double-layer capacitors, that utilize organic electrolyte solvents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Experimental Investigation of Uranium and Iron Condensation from High-Temperature Plasma Conditions

We used a plasma flow reactor (PFR) to generate synthetic fallout nanoparticles from vapor-phase condensation of two different input concentrations of uranium and iron analytes (U/Fe = 1:1 and 1:2). Synthetic fallout from complex chemical matrices (e.g., mixtures of U and Fe) has not been generated in this setup before and allows for the observation of relative condensation and fractionation of nuclear debris. Experiments were conducted under two different temperature histories with variations in particle flow patterns along the PFR. Transmission electron microscopy (TEM) observation and analysis of the nanoparticles revealed variations in speciation of uranium oxides (UO 2 and α-UO 3 ) depending on the competition between flow mixing and oxygen sequestration by iron. A ternary metal oxide, UFeO 4 , was observed in addition to iron oxides (e.g., FeO and Fe 3 O 4 ), which suggests that fallout models should account for chemical speciation of ternary metal oxides (i.e., UFeO 4 ) and their relative condensation behaviors in addition to those of singular metal oxides (e.g., FeO and UO 2 ). X-ray Energy Dispersive Spectroscopy (EDS) elemental maps showed that some particles had Fe-rich cores surrounded by U-rich regions. This suggests that either condensed U oxides coagulate onto molten Fe oxides or that the increase in iron analyte concentration might drive the system toward a higher degree of supersaturation, leading to earlier formation of iron oxide particles and providing an energetically favored pathway for nucleation of uranium oxides around iron oxide particles.

and nuclear chemistry↗
DOE OSTI2018

Ice rule fragility via topological charge transfer in artificial colloidal ice

Artificial particle ices are model systems of constrained, interacting particles. They have been introduced theoretically to study ice-manifolds emergent from frustration, along with domain wall and grain boundary dynamics, doping, pinning-depinning, controlled transport of topological defects, avalanches, and memory effects. Recently such particle-based ices have been experimentally realized with vortices in nano-patterned superconductors or gravitationally trapped colloids. Here we demonstrate that, although these ices are generally considered equivalent to magnetic spin ices, they can access a novel spectrum of phenomenologies that are inaccessible to the latter. With experiments, theory and simulations we demonstrate that in mixed coordination geometries, entropy-driven negative monopoles spontaneously appear at a density determined by the vertex-mixture ratio. Unlike its spin-based analogue, the colloidal system displays a “fragile ice” manifold, where local energetics oppose the ice rule, which is instead enforced through conservation of the global topological charge. The fragile colloidal ice, stabilized by topology, can be spontaneously broken by topological charge transfer.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Transference Number of Electrolytes from the Velocity of a Single Species Measured by Electrophoretic NMR

Accurate measurement of the cation transference number is critical for designing batteries with a given electrolyte. A promising approach for measuring this parameter is electrophoretic NMR (eNMR). In the standard approach, the average cation, anion, and solvent velocities under an applied electric field are used to estimate the cation transference number with respect to the solvent velocity, ${t}_{+}^{0}.$ Here, in this study, we show that ${t}_{+}^{0}$ can be determined from measurements of the electric-field-induced velocities of individual species. The ${t}_{+}^{0}$ values obtained from eNMR experiments on a model electrolyte (LiTFSI/tetraglyme) based on single species velocities are consistent with the standard approach. An important parameter that enters into the analysis is the velocity of the electrode–electrolyte interface which must be finite in an eNMR experiment. Agreement is only obtained after accounting for this velocity. The single-species approach is particularly valuable when one or more components of the electrolytic mixture are not easily accessible by NMR, for example zinc and magnesium cations.

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

The in vivo structure of biological membranes and evidence for lipid domains

Examining the fundamental structure and processes of living cells at the nanoscale poses a unique analytical challenge, as cells are dynamic, chemically diverse, and fragile. A case in point is the cell membrane, which is too small to be seen directly with optical microscopy and provides little observational contrast for other methods. As a consequence, nanoscale characterization of the membrane has been performed ex vivo or in the presence of exogenous labels used to enhance contrast and impart specificity. Here, we introduce an isotopic labeling strategy in the gram-positive bacterium Bacillus subtilis to investigate the nanoscale structure and organization of its plasma membrane in vivo. Through genetic and chemical manipulation of the organism, we labeled the cell and its membrane independently with specific amounts of hydrogen (H) and deuterium (D). These isotopes have different neutron scattering properties without altering the chemical composition of the cells. From neutron scattering spectra, we confirmed that the B. subtilis cell membrane is lamellar and determined that its average hydrophobic thickness is 24.3 ± 0.9 Ångstroms (Å). Furthermore, by creating neutron contrast within the plane of the membrane using a mixture of H- and D-fatty acids, we detected lateral features smaller than 40 nm that are consistent with the notion of lipid rafts. These experiments—performed under biologically relevant conditions—answer long-standing questions in membrane biology and illustrate a fundamentally new approach for systematic in vivo investigations of cell membrane structure.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Dependence of calculated postshock thermodynamic variables on vibrational equilibrium and input uncertainty

The purpose of this article is to explore the dependence of calculated postshock thermodynamic properties in shock tube experiments upon the vibrational state of the test gas and upon the uncertainties inherent to calculation inputs. This paper first offers a comparison between state variables calculated according to a Rankine–Hugoniot–equation-based algorithm, known as FROSH, and those derived from shock tube experiments on vibrationally nonequilibrated gases. It is shown that incorrect vibrational relaxation assumptions could lead to errors in temperature as large as 8% for 25% oxygen/argon mixtures at 3500 K. Following this demonstration, this article employs the algorithm to show the importance of correct vibrational equilibration assumptions, noting, for instance, that errors in temperature of up to about 2% at 3500 K may be generated for 10% nitrogen/argon mixtures if vibrational relaxation is not treated properly. Lastly, this article presents an extensive uncertainty analysis, showing that postshock temperatures can be calculated with root-of-sum-of-square errors of better than ±1% given sufficiently accurate experimentally measured input parameters.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Status of experimental knowledge on the unbound nucleus 13 Be

The structure of the unbound nucleus 13 Be is important for understanding the Borromean, two-neutron halo nucleus 14 Be. The experimental studies conducted over the last four decades are reviewed in the context of the beryllium chain of isotopes and some significant theoretical studies. The focus of this paper is the comparison of new data from a 12 Be(d,p) reaction in inverse kinematics, which was analyzed using Geant4 simulations and a Bayesian fitting procedure, with previous measurements. Two possible scenarios to explain the strength below 1 MeV above the neutron separation energy were proposed in that study: a single p-wave resonance or a mixture of an s-wave virtual state with a weaker p- or d-wave resonance. Comparisons of recent invariant mass and the (d,p) experiments show good agreement between the transfer measurement and the two most recent high-energy nucleon removal measurements.

12Be↗
NASA NTRS1976

Two-phase turbine engines

A description is given of a two-phase turbine which utilizes a uniform mixture of gas and liquid accelerated in nozzles of the types reported by Elliott and Weinberg (1968). The mixture acts directly on an axial flow or tangential impulse turbine or is separated into gas and liquid streams which operate separately on a gas turbine and a hydraulic turbine. The basic two-phase cycles are examined, taking into account working fluids, aspects of nozzle expansion, details of turbine cycle operation, and the effect of mixture ratio variation. Attention is also given to two-phase nozzle efficiency, two-phase turbine operating characteristics and efficiencies, separator turbines, and impulse turbine experiments.

Elliott, D. G.↗
NASA NTRS1979

A gas chromatographic air analyzer fabricated on a silicon wafer

A miniature gas analysis system has been built based on the principles of gas chromatography (GC). The major components are fabricated in silicon using photolithography and chemical etching techniques, which allows size reductions of nearly three orders of magnitude compared to conventional laboratory instruments. The chromatography system consists of a sample injection valve and a 1.5-m-long separating capillary column, which are fabricated on a substrate silicon wafer. The output thermal conductivity detector is separately batch fabricated and integrably mounted on the substrate wafer. The theory of gas chromatography has been used to optimize the performance of the sensor so that separations of gaseous hydrocarbon mixtures are performed in less than 10 s. The system is expected to find application in the areas of portable ambient air quality monitors, implanted biological experiments, and planetary probes.

Terry, S. C.↗
NASA NTRS1986

A search for the prewetting line

This paper describes efforts to locate the prewetting line in a binary liquid system (isopropanol-perfluoromethylcyclohexane) at the vapor-liquid interface. Tight upper bounds were placed on the temperature separation (0.2 K) between the prewetting line and the line of bulk liquid phase separation. The prewetting line in systems at equilibrium was not detected. Experimental signatures indicative of the prewetting line occurred only in nonequilibrium situations. Several theories predict that the adsorption of one of the components (the fluorocarbon, in this case) at the liquid-vapor interface should increase abruptly, at a temperature sightly above the temperature at which the mixture separates into two liquid phases. A regular solution calculation indicates that this prewetting line should have been easily detectable with the instruments used in this experiment. Significant features of the experiment are: (1) low-gradient thermostatting, (2) in situ stirring, (3) precision ellipsometry from the vapor-liquid interface, (4) high resolution differential index of refraction measurements using a novel cell design, and (5) computer control.

Schmidt, J. W.↗
NASA NTRS1991

Oxygen tracer diffusion in single-crystal alumina

Oxygen tracer diffusion coefficients are determined in single-crystal alumina samples with differing dopant levels using the gas-exchange technique. The diffusion direction is parallel to the c-axis and the ambient PO2 is 1 atm (100,000 Pa) for all experiments except a single run with a low PO2, approximately 10 to the -15th atm (10 to the -10th Pa) produced by a CO/CO2 mixture. The diffusion is insensitive to both impurities and ambient PO2. The insensitivities are discussed in terms of point-defect clustering. Prior tracer studies are compared and discussed.

Cawley, James D.↗
NASA NTRS1993

Performance of high-recovery recycling reverse osmosis with wash water

Inclusion of a recycling loop for partially-desalted water from second-stage reverse-osmosis permeate has been shown useful for achieving high-recovery at moderate applied pressures. This approach has now been applied to simulated wash waters, to obtain data on retention by the membranes of solutes in a mixture comparable to anticipated spacecraft hygiene wastewaters, and to generate an estimate of the maximum concentration that can be expected without causing membrane fouling. A first experiment set provides selectivity information from a single membrane and an Igepon detergent, as a function of final concentration. A reject concentration of 3.1% Total Organic Carbon has been reached, at a pressure of 1.4 Mega Pascals, without membrane fouling. Further experiments have generated selectivity values for the recycle configuration from two washwater simulations, as a function of applied pump pressure. Reverse osmosis removal has also been tested for washwater containing detergent formulated for plant growth compatibility (containing nitrogen, phosphorous and potassium functional groups.)

Herrmann, Cal C.↗
NASA NTRS2021

Martian subsurface cryosalt expansion and collapse as trigger for landslides

On Mars, seasonal martian flow features known as recurring slope lineae (RSL) are prevalent on sun-facing slopes and are associated with salts. On Earth, subsurface interactions of gypsum with chlorides and oxychlorine salts wreak havoc: instigating sinkholes, cave collapse, debris flows, and upheave. Here, we illustrate (i) the disruptive potential of sulfate-chloride reactions in laboratory soil crust experiments, (ii) the formation of thin films of mixed ice-liquid water “slush” at −40° to −20°C on salty Mars analog grains, (iii) how mixtures of sulfates and chlorine salts affect their solubilities in low-temperature environments, and (iv) how these salt brines could be contributing to RSL formation on Mars. Our results demonstrate that interactions of sulfates and chlorine salts in fine-grained soils on Mars could absorb water, expand, deliquesce, cause subsidence, form crusts, disrupt surfaces, and ultimately produce landslides after dust loading on these unstable surfaces.

J. L. Bishop↗
DOE OSTI2017

Iron Behavior in Microcosms Simulating Bioreduction in Savannah River Site Sediments - 17389

An estimated 1.8 billion gallons of acidic low-activity waste solutions originating from the processing of uranium slugs and irradiated fuel at separation facilities at the Savannah River Site (SRS) were discharged to the unlined seepage basins located in the F/H-area. The acidic solutions of the basin influent (pH from 3.2 to 5.5) contaminated with a variety of radionuclides and dissolved metals caused groundwater contamination. In 2010, DOE funded a demonstration of the Enhanced Anaerobic Reductive Precipitation (EARP) process at the SRS F-Area that consisted of in-situ injections of a carbohydrate substrate to establish anaerobic reactive zones for metal and radionuclide remediation. The addition of the molasses substrate solution to groundwater was done to produce anaerobic conditions conducive to uranium reduction and then precipitation as uranium (IV). The SRS soil is highly weathered and features very low natural alkalinity. A microcosm study, prepared with sieved SRS sediments and augmented with a solution mixture containing molasses and sulfate, was designed to provide evidence of the capabilities of this remediation technology under SRS environmental conditions. The objective of these microcosm experiments was to replicate the anaerobic conditions created as a result of injections of molasses combined with sulfate ions, similar to the EARP process that was performed at SRS, and investigate if any mineralogical changes could occur in the soil due to the addition of molasses. Specifically, the study aimed to determine if solid phases of reduced iron such as siderite and pyrite would be formed, as this would indicate the potential to form a long-lasting bioreductive zone. An understanding of this technology will be useful in determining if it is a viable option for remediation. In the experiments, the media solution was amended with molasses and sulfate to stimulate sulfate-reducing bacteria. Sulfate reduction occurs extensively under the redox conditions occurring after iron reduction and before methanogenic conditions. These conditions are considered the second most reducing condition in natural groundwater systems. Microcosm tubes prepared in triplicate were kept inside an anaerobic glove box, which was continuously monitored to ensure that conditions remained anaerobic. The initial X-ray diffraction (XRD) analyses on the background sediment samples indicated the presence of quartz, kaolinite, montmorillonite, and goethite. In the molasses-treated samples there were no visible peaks for reduced forms of iron such as siderite and pyrite. The pH measurements suggest that all samples in either batch, including those that were brought to a neutral pH before the addition of the sediments, have followed a similar trend with a decline in the pH value to between 4 and 4.7. This can be attributed to the fermentation of molasses and the natural acidity of the SRS sediments used for the microcosm study. In the acidic iron-rich sediment, the microbial reduction of Fe (III) was the predominant electron-accepting process for oxidation of the organic substrate. The maximum iron concentration detected during the experiments was 13 mg/L. Analytical results showed that there was no sulfate reduction in any of the samples augmented with sulfate and the concentration remained level at 500 ppm as originally added to the initial solutions (518 - 542 mg/L). This is consistent with the absence of any indication of iron sulfide formation. Under the experimental conditions in these microcosms, the abundance of biologically available Fe (III) allows Fe (III)-reducers to out-compete sulfate-reducing bacteria using molasses as an electron donor. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2018

Sorption of Cationic Radionuclides on Chlorite and Sericite formed by the Hydrothermal Alteration - 18180

Chlorite and sericite formed by the hydrothermal alteration of granite distribute predominantly around the geological repository in deep underground. These minerals often cover the surface of a solid phase and fill the fracture of granite considered as the natural barrier to the migration of radionuclides leaching from radioactive waste. Therefore, to assess the practical performance of the natural barrier, it is necessary to clarify the interaction between radionuclides and these minerals. This study examined the sorption of cationic radionuclides by chlorite and sericite through batch experiments, whereby Cs{sup +}, Sr{sup 2+}, and Eu{sup 3+} were used as tracer ions. In these experiments, powder-form chlorite or sericite was mixed with the solutions of the tracer ions to a liquid/solid ratio of 10 ml/g, and the resulting mixture was allowed to incubate for 2-7 days. The concentration of tracer ions was set to 1 mM and that of NaCl to a specific value in the 0-0.6 M range. The solution pH was 3, 5, or 8. As a result, tracer ions were significantly adsorbed by chlorite and sericite, regardless of pH or NaCl concentration, except when NaCl concentration reached the high value of 0.6 M. The distribution coefficient for europium ions at pH 5 was estimated to be 2-7 mL/g in chlorite and 10{sup 3}-10{sup 4} mL/g in sericite. These values significantly exceeded that measured for feldspar (2-4 mL/g), the predominant component of granite before it undergoes any hydrothermal alteration. These results suggest that cationic radionuclides will be immobilized through sorption in chlorite and sericite filling granite fractures, even if these thermal-fluid-formed minerals cover the surface of granite. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Separation of polyethylene terephthalate from municipal waste plastics by froth flotation for recycling industry

Highlights: • Factors of NaOH treatment were studied by orthogonal and single factor experiments. • Mechanism of alkaline treatment for facilitating flotation was manifested. • Flotation separation of PET was achieved with high purity and efficiency. • A flow sheet of purification PET from MWP was designed. - Abstract: Recycling is an effective way to manage plastic wastes and receives considerable attention. Since plastic mixtures are difficult to recycle because of their intrinsic characteristics, separation of mixed plastics is the key problem for recycling. Separation of polyethylene terephthalate (PET) from municipal waste plastics (MWP) by froth flotation combined with alkaline pretreatment was investigated for recycling industry. The effect of process variables was estimated by L{sub 9} (3{sup 4}) orthogonal array of experiments and single factor experiments. The optimum conditions of alkaline pretreatment are 10 wt% sodium hydroxide, 20 min and 70 °C. After alkaline pretreatment under optimum conditions, flotation separation PET from acrylonitrile–butadiene–styrene, polystyrene, polycarbonate or polyvinyl chloride was achieved with high purity and efficiency. The purity of PET is up to 98.46% and the recovery is above 92.47%. A flow sheet of separation PET from MWP by a combination of froth flotation and sink float separation was designed. This study facilitates industrial application of plastics flotation and provides technical insights into recycling of waste plastics.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗