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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Mechanistic study of chemical looping reactions between solid carbon fuels and CuO

Copper (Cu) based chemical-looping combustion (CLC) is a promising process that utilizes solid carbon fuel such as coal and biomass. Understanding the reaction kinetics in this process can facilitate the industrial design of CLC units. Here, in this work, molecular dynamics (MD) simulations were performed to investigate the reaction kinetics of n-butane and two simplified solid carbon fuels (lignite and anthracite) with/without copper oxide (CuO) nanoparticle. In addition, experiments were conducted on the thermal characteristics, flammability, and flame speeds of CuO and solid carbon mixtures. For n-butane, oxidation on the CuO surface is the primary reaction since the activation energy of the surface reaction is much lower than that of oxygen (O 2 ) combustion (9.2 vs. 53.3 kcal/mol). On the other hand, for lignite, there is a smaller difference in the activation energy of O 2 combustion and surface reaction (23.04 vs. 6.34 kcal/mol). We hypothesize that some solid carbon fuels can have different reaction kinetics dependent upon temperature. This is proven by the case of a simplified anthracite coal: an Arrhenius plot shows that this solid carbon fuel has two different reaction kinetic regimes and the critical temperature for the change in kinetics is related to the oxygen uncoupling of the CuO nanoparticle. Like the modeling simulations, a change in activation energy is observed in the experimental results, where desorption of molecular oxygen from CuO becomes important.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Structural Dynamics of Strongly Segregated Block Copolymer Electrolytes

Polymer electrolytes are promising materials for high energy density rechargeable batteries. However, they have low ion transport rates and gradually lose electrode adhesion during cycling. These effects are dependent on polymer structure and dynamics. This motivates an investigation of diblock copolymer electrolyte dynamics. Structural and stress relaxations have been measured with X-ray photon correlation spectroscopy (XPCS) and rheology, respectively, as a function of salt concentration and temperature. The polymer electrolyte studied in this work is a mixture of poly(styrene-b-ethylene oxide), SEO, and lithium bistrifluoromethanesulfonimide (LiTFSI). Results from XPCS experiments showed hyperdiffusive motion for various lithium salt concentrations and at varying temperatures, which is indicative of soft glassy materials. This behavior is attributed to cooperative dynamics. The decay time was a weak, nonmonotonic function of salt concentration and decreased with increasing temperature, in an Arrhenius fashion. In contrast, the shear modulus decreased with increasing salt concentration and increasing temperature. The entanglement relaxation from rheological measurements followed Vogel-Fulcher-Tammann behavior. The structural decay time was slower than the entanglement relaxation time at temperatures above the glass transition temperature, but they were approximately equal at T g regardless of salt concentration. This may indicate a fundamental connection between cooperative structural motion and polymer chain motion in this material.

25 ENERGY STORAGE↗
DOE OSTI2019

Best practices and benchmarks for intact protein analysis for top-down mass spectrometry

One gene can give rise to many functionally distinct proteoforms, each of which has a characteristic molecular mass. Many laboratories, however, forgo the challenging mass analysis of intact proteins. Instead, these researchers resort to well-established methods for proteolytic digests. In this work, the Consortium for Top-Down Proteomics (CTDP) addresses the unmet need for robust protocols for obtaining intact protein mass spectra. We quantify and rationalize the signal suppression associated with common interfering substances. A decision tree, based upon sample composition and experimental goals, guides researchers to a given protocol. Cross-platform analytical benchmarks are provided to allow users to gauge their proficiency and to promote method standardization. This work should permit users at any experience level to obtain high-quality intact mass spectra of native and denatured proteins from mixtures of varying complexity, including intact antibodies and membrane proteins.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Measurements of He-Ar, He-N 2 , and He-air thermal creep slip and accommodation coefficients at high temperatures

Understanding gas flows in capillaries has many applications in modeling the transport of gases in nano-structured, porous, or fractured media. A network of capillaries can often approximate these media, and also information on gas-surface interactions obtained from capillary experiments can be used for modeling flows in these media. Experimental data on flows of different mixtures of He-Ar, He-N 2 , and He-air in the slip regime and in stainless steel capillaries at high temperatures were obtained by using a two-bulb apparatus. An accurate expression for the thermal creep slip coefficients with the Lennard-Jones potential parameters and diffuse-specular reflection gas-surface interaction conditions were then used to obtain the accommodation coefficients for the different gases. The experimental data are best described with values of accommodation coefficients in the range of 0.1–0.3 for He and 0.5–1.0 for Ar, N 2 , and air. Further, the use of values in this range is suggested for modeling gaseous flows in capillaries and nano-structured, porous, or fractured media if other direct measured values for a particular medium are unavailable.

42 ENGINEERING↗
DOE OSTI2017

Structural characteristics of a gas–liquid flow in a microchannel with a T-shaped mixer

The results of experimental studies of the structural characteristics of a nitrogen–water mixture flow in a horizontal microchannel provided with a T-shaped mixer are presented. The experiments are performed in a channel with a rectangular cross section of 250 × 315 μm under the conditions of a dominating influence of capillary forces. Structural characteristics of the flow are determined using the two-beam laser scanning and high-speed video capture at a distance of 500 calibers from the inlet in a wide range of reduced gas- and liquid-flow rates. A new method for the identification of flow regimes is proposed based on the statistical treatment of the laser-scanning data, and a map of flow patterns is constructed.

42 ENGINEERING↗
DOE OSTI2017

Toward Stabilizing Co 3 O 4 Nanoparticles as an Oxygen Reduction Reaction Catalyst for Intermediate-Temperature SOFCs

The oxygen reduction reaction (ORR) activity of a series of composite cathodes consisting of a porous Gd 0.20 Ce 0.80 O 2-δ (GDC) scaffold infiltrated with Sr-, Co-, and Y-nitrate solutions has been systematically investigated in this study. The results show that such infiltrated cathodes if calcined at low temperatures such as 350°C exhibit low polarization resistance (RP) in the temperature range of 450–700°C, even though XRD analysis reveals that the calcined product is virtually a mixture of Co 3 O 4 and SrCO 3 . A further study by design-of-experiment suggests that the true ORR-active species is Co 3 O 4 , whereas SrCO 3 serves as a sintering inhibitor to preserve the high surface area of Co 3 O 4 . The findings and understanding in this study present a new strategy for future development of active cathodes for intermediate-temperature solid oxide fuel cells (SOFCs).

36 MATERIALS SCIENCE↗
DOE OSTI2017

Monodispersed Zinc Oxide Nanoparticle-Dye Dyads and Triads

The overall energy conversion efficiency of photovoltaic cells depends on the combined efficiencies of light absorption, charge separation and charge transport. Dye-sensitized solar cells are photovoltaic devices in which a molecular dye absorbs light and uses this energy to initiate charge separation. The most efficient dye-sensitized solar cells (DSSCs) use nanocrystal titanium dioxide films to which are attached ruthenium complexes. Numerous studies have provided valuable insight into the dynamics of these and analogous photosystems, but the lack of site homogeneity in binding dye molecules to metal oxide films and nanocrystals (NCs) is a significant impediment to extracting fundamental details about the electron transfer across the interface. Although zinc oxide is emerging as a potential semiconducting component in DSSCs, there is less known about the factors controlling charge separation across the dye/ZnO interface. Zinc oxide crystallizes in the wurtzite lattice and has a band gap of 3.37 eV. One of the features that makes ZnO especially attractive is the remarkable ability to control the morphology of the films. Using solution deposition processes, one can prepare NCs, nanorods and nanowires having a variety of shapes and dimensions. This project solved problems associated with film heterogeneity through the use of dispersible sensitizer/ZnO NC ensembles. The overarching goal of this research was to study the relationship between structure, energetics and dynamics in a set of synthetically controlled donor-acceptor dyads and triads. These studies provided access to unprecedented understanding of the light absorption and charge transfer steps that lie at the heart of DSSCs, thus enabling significant future advances in cell efficiencies. The approach began with the construction of well-defined dye-NC dyads that were sufficiently dispersible to allow the use of state of the art pulsed laser spectroscopic and kinetic methods to understand the charge transfer events at a fundamental level. This was combined with the synthesis of a broad range of sensitizers that provide systematic variation of the energetics, excited state dynamics, structure and interfacial bonding. The key is that the monodisperse nature and high dispersibility of the ZnO NCs made these experiments reproducible; in essence, the measurements were on discrete molecular species rather than on the complicated mixtures that resulted from the typical fabrication of functional photovoltaic cells. The monodispersed nature of the NCs also allowed the use of quantum confinement to investigate the role of donor/acceptor energetic alignment in chemically identical systems. The results added significantly to our basic understanding of energy and charge transfer events at molecule-semiconductor interfaces and will help the R&D community realize zinc oxide's full potential in solar cell applications.

14 SOLAR ENERGY↗
NASA NTRS1973

Nonthermal metabolic response of rats to He-O2, N2-O2, and Ar-O2 at 1 atm.

Experiments were performed to describe qualitatively and quantitatively the nonthermal metabolic response of rats to normoxic mixtures of helium, nitrogen, or argon at 1 atm ambient pressure. Hypoxic mixtures were similarly tested to determine any differences in hypoxic response as a function of the diluent gas. Rats exposed to argon for 5 days had a reduced metabolic rate relative to nitrogen, as evidenced by oxygen and food consumption, CO2 production, and the catabolism of radiosubstrates. While some parameters indicated that helium increased metabolic rate, oxygen consumption did not significantly differ from that in nitrogen. The physiologic and metabolic response to an imposed hypoxia varied among the different environments. Certain indices suggested that the hypoxic effects were less severe in helium and more pronounced in argon than in nitrogen. The mechanisms by which the diluent gases produced the observed changes could not be identified, but some possibilities are discussed.

Schatte, C. L.↗
NASA NTRS1977

Extension of pulmonary O2 tolerance in man at 2 ATA by intermittent O2 exposure

To study extension of O2 tolerance by interruption of hyperoxic exposure, five healthy volunteers were exposed to oxygen at 2 ATA on an intermittent schedule of 20 min breathing O2, alternating with 5 min on a normoxic N2-O2 mixture. The cycle was repeated until symptoms or signs of O2 toxicity caused cessation of the experiment. Tracheal irritation and burning on inspiration occurred after 6-9 'oxygen hours' of exposure and progressed to severe tracheobronchial burning sensation, chest pain, and dyspnea after 11-15 h of O2. With intermittent O2 administration, nearly a doubling of the average duration of actual oxygen breathing was required to induce marked vital capacity change (more than 10%) as compared to the previous studies of continuous O2 exposure.

Hendricks, P. L.↗
NASA NTRS1979

Expansion cooled CO nuclear pumped laser

The paper describes a series of experiments designed to investigate the performance of a fission fragment excited CO laser with gasdynamic cooling. The experiments use a wall source of fission fragments to provide excitation of CO or CO gas mixtures. A separate investigation examines the effects on vibrational excitation distribution of CO or CO gas mixtures with the addition of UF6.

Davis, J. F.↗
NASA NTRS1981

Experiments on the abiotic amplification of optical activity

Experiments concerning the physical mechanisms for the abiotic generation and chemical mechanisms for the amplification of optical activity in biological compounds are reviewed. Attention is given to experiments involving the determination of the differential adsorption of racemic amino acids on d- and l-quartz, the asymmetric photolysis of racemic amino acids by circularly polarized light, and the asymmetric radiolysis of solid amino acids by longitudinally polarized electrons, and the enantiomeric enrichments thus obtained are noted. Further experiments on the amplification of the chirality in the polymerization of D, L-amino acid mixtures and the hydrolysis of D-, L-, and D, L-polypeptides are discussed. It is suggested that a repetitive cycle of partial polymerization-hydrolyses may account for the abiotic genesis of optically enriched polypeptides on the primitive earth.

Bonner, W. A.↗
NASA NTRS1990

Ultraviolet spectrum and chemical reactivity of the ClO dimer

The ClO dimer was prepared by photolysis (wavelength greater than 300 nm) of Cl2/Cl2O or Cl2/O3 mixtures or by photolysis of Cl2O alone. Temperatures were in the range 195-217 K, and experiments were carried out both in the gas phase and in the cryogenic solvents CF4, CO2, and N2O. Dimer cross sections in the range 190-400 nm are reported both in the gas phase and in the solvents. Results indicate that ClOOCl is the only dimer structure formed as a stable product. Upper limits of 1 x 10 to the -19th and 1 x 10 to the -20th cu cm/s are placed on the reactions of ClOOCl with O3 and with itself, respectively.

Demore, W. B.↗
NASA NTRS1991

Definition of two-phase flow behaviors for spacecraft design

Data for complete models of two-phase flow in microgravity are taken from in-flight experiments and applied to an adiabatic flow-regime analysis to study the feasibility of two-phase systems for spacecraft. The data are taken from five in-flight experiments by Hill et al. (1990) in which a two-phase pump circulates a freon mixture and vapor and liquid flow streams are measured. Adiabatic flow regimes are analyzed based on the experimental superficial velocities of liquid and vapor, and comparisons are made with the results of two-phase flow regimes at 1 g. A motion analyzer records the flow characteristics at a rate of 1000 frames/sec, and stratified flow regimes are reported at 1 g. The flow regimes observed under microgravitational conditions are primarily annular and include slug and bubbly-slug regimes. The present data are of interest to the design and analysis of two-phase thermal-management systems for use in space missions.

Reinarts, Thomas R.↗
NASA NTRS1994

Tele/Autonomous Robot For Nuclear Facilities

Fail-safe tele/autonomous robotic system makes it unnecessary for human technicians to enter nuclear-fuel-reprocessing facilities and other high-radiation or otherwise hazardous industrial environments. Used to carry out experiments as exchanging equipment modules, turning bolts, cleaning surfaces, and grappling turning objects by use of mixture of autonomous actions and teleoperation with either single arm or two cooperating arms. System capable of fully autonomous operation, teleoperation or shared control.

Backes, Paul G.↗
NASA NTRS1998

Experimental Investigation of Organic Synthesis in Hydrothermal Environments

Seafloor hydrothermal systems may be the most likely locations on the early Earth for the emergence of life. Because of the disequilibrium inherent in such dynamic, mixing environments, abundant chemical energy would have been available for formation of the building blocks of life. In addition, theoretical studies suggest that organic compounds in these conditions would reach metastable states, due to kinetic barriers to the formation of stable equilibrium products (CO2 and methane). The speciation of organic carbon in metastable states is highly dependent on the oxidation state, pH, temperature, pressure and bulk composition of the system. The goal of our research is to investigate the effects of a number external variables on the formation, transformation, and stability of organic compounds at hydrothermal conditions. We have begun experimental work to attempt to control the oxidation state of simulated hydrothermal systems by using buffers composed of mineral powders and gas mixtures. We are also beginning to test the stability of organic compounds under these conditions. The experiments are being performed using the hydrothermal bomb apparatus at the U.S. Geological Survey in Menlo Park, CA and the supercritical water oxidizer (SCWO) at NASA Ames Research Center in Moffet Field, CA. The amino acids decomposed rapidly. Even after the approximately 15 minutes between addition of the amino acids and the first sampling, no amino acids were detected in the PPM system by GC- MS, while in the FeFeO system the amino acids were present at a level of less than 50% of original. Carboxylic acids, ammonia, and CO2 were the main products, along with some unidentified compounds. The ratios of carboxylic acids and concentrations of other products seem to have remained stable during the experiments, consistent with observations of other metastable systems and theoretical predictions.

Shock, Everett L.↗
NASA NTRS2005

SOLID SOLUTION CARBIDES ARE THE KEY FUELS FOR FUTURE NUCLEAR THERMAL PROPULSION

Nuclear thermal propulsion uses nuclear energy to directly heat a propellant (such as liquid hydrogen) to generate thrust for space transportation. In the 1960 s, the early Rover/Nuclear Engine for Rocket Propulsion Application (NERVA) program showed very encouraging test results for space nuclear propulsion but, in recent years, fuel research has been dismal. With NASA s renewed interest in long-term space exploration, fuel researchers are now revisiting the RoverMERVA findings, which indicated several problems with such fuels (such as erosion, chemical reaction of the fuel with propellant, fuel cracking, and cladding issues) that must be addressed. It is also well known that the higher the temperature reached by a propellant, the larger the thrust generated from the same weight of propellant. Better use of fuel and propellant requires development of fuels capable of reaching very high temperatures. Carbides have the highest melting points of any known material. Efforts are underway to develop carbide mixtures and solid solutions that contain uranium carbide, in order to achieve very high fuel temperatures. Binary solid solution carbides (U, Zr)C have proven to be very effective in this regard. Ternary carbides such as (U, Zr, X) carbides (where X represents Nb, Ta, W, and Hf) also hold great promise as fuel material, since the carbide mixtures in solid solution generate a very hard and tough compact material. This paper highlights past experience with early fuel materials and bi-carbides, technical problems associated with consolidation of the ingredients, and current techniques being developed to consolidate ternary carbides as fuel materials.

Panda, Binayak↗
NASA NTRSDate not supplied

Effect of Pressure on Trace Element Activity Coefficients in Metal-Silicate Systems

The partitioning of trace elements between metal and silicate melts serves as the foundation for understanding the differentiation of a planetary body into a metallic core and silicate mantle. Element activity influences metal-silicate partitioning behavior. Activity coefficients are directly dependent on composition and temperature, and can be indirectly dependent on oxygen fugacity and pressure. Distinguishing the effect of pressure from other variables on the activity coefficients and partitioning is important for understanding the chemical evolution of different planetary bodies during differentiation. In this study, we investigated the influence of pressure on the activity coefficients of Cu, Mo, Pd, Pt, As, Sb, and Bi in Fe-Si metallic liquids. All of these elements exhibit moderate to high activity coefficients in Fe-Si liquids at low pressure, which significantly controls their metal-silicate partitioning behavior. Identifying whether this strong dependence persists at higher pressures is critical to modeling and understanding the chemical consequences of core formation. New experiments at 10 GPa were used to derive activity coefficients for these metals which can be compared to activity coefficients determined at 1 GPa. Experiments were conducted at 10 GPa and 2373K using a 10/5 assembly in the 880-ton multi-anvil press at NASA Johnson Space Center. The standard 10/5 COMPRES assembly was slightly modified to accommodate a sample capsule machined from single-crystal MgO that minimizes melt percolation out of the sample volume during the experiment. Experiment starting materials were comprised of 70 wt.% Knippa basalt and 30 wt.% metal. The metal mixture (~85 wt.% Fe) was created by adding the elements of interest (Cu, Mo, Pd, Pt, As, Sb, Bi) to Fe metal powder. Varied amounts of Si metal (0-10 wt.% Si) were added to the metal-silicate mixtures to generate a systematic series of starting materials. For each element, an epsilon interaction parameter in Fe-Si liquid was derived from the results of our 0-10 wt.% Si metal series. To investigate whether pressure influences the trace element activity coefficients in the 1-10 GPa pressure range, we compared our results at 10 GPa to those at 1-4 GPa [1-3]. Our results can also be directly compared to interaction parameters for Au, P, V, Mn, Ga, Zn, Cd, Sn, W, Pb, and Nb previously determined at 10 GPa and 2373K following the same methods [4]. Combined, this suite of interaction parameters will directly inform metal-silicate partitioning between 1 and 10 GPa, and assess whether these values can be extrapolated to modeling differentiation processes at pressures >10 GPa.

Kelsey Prissel↗
NASA NTRSDate not supplied

Effect of Pressure and Oxidation State on Pnictogen Metal-Silicate Partitioning

The partitioning of trace elements between metal and silicate melts serves as the foundation for understanding the differentiation of a planetary body into a metallic core and silicate mantle. Element activity influences metal-silicate partitioning behavior. Activity coefficients are directly dependent on composition and temperature, and can be indirectly dependent on oxygen fugacity and pressure. Distinguishing the effect of pressure from other variables on the activity coefficients and partitioning is important for understanding the chemical evolution of different planetary bodies during differentiation. In this study, we investigated the influence of pressure on the activity coefficients of Cu, Mo, Pd, Pt, As, Sb, and Bi in Fe-Si metallic liquids. All of these elements exhibit moderate to high activity coefficients in Fe-Si liquids at low pressure, which significantly controls their metal-silicate partitioning behavior. Identifying whether this strong dependence persists at higher pressures is critical to modeling and understanding the chemical consequences of core formation. New experiments at 10 GPa were used to derive activity coefficients for these metals which can be compared to activity coefficients determined at 1 GPa. Experiments were conducted at 10 GPa and 2373K using a 10/5 assembly in the 880-ton multi anvil press at NASA Johnson Space Center. The standard 10/5 COMPRES assembly was slightly modified to accommodate a sample capsule machined from single-crystal MgO that minimizes melt percolation out of the sample volume during the experiment. Experiment starting materials were comprised of 70 wt.% Knippa basalt and 30 wt.% metal. The metal mixture (~85 wt.% Fe) was created by adding the elements of interest (Cu, Mo, Pd, Pt, As, Sb, Bi) to Fe metal powder. Varied amounts of Si metal (0-10 wt.% Si) were added to the metal-silicate mixtures to generate a systematic series of starting materials. For each element, an epsilon interaction parameter in Fe-Si liquid was derived from the results of our 0-10 wt.% Si metal series. To investigate whether pressure influences the trace element activity coefficients in the 1-10 GPa pressure range, we compared our results at 10 GPa to those at 1-4 GPa [1-3]. Our results can also be directly compared to interaction parameters for Au, P, V, Mn, Ga, Zn, Cd, Sn, W, Pb, and Nb previously determined at 10 GPa and 2373K following the same methods [4]. Combined, this suite of interaction parameters will directly inform metal- silicate partitioning between 1 and 10 GPa, and assess whether these values can be extrapolated to modeling differentiation processes at pressures >10 GPa. [1] Righter et al. (2018) GCA 232, 101-123 [2] Righter et al. (2019) MaPS 54, 1379-1394 [3] Steenstra et al. (2020) Icarus, 335, 113391 [4] Righter et al. (2020) Geochem. Persp. Let. 15, 44-49

Kelsey Prissel↗