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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Magnetic iron oxide nanoparticles for the collection and direct measurement of adsorbed alpha-emitting radionuclides from environmental waters by liquid scintillation analysis

Radioactive contamination in the environment, be it from accidental or intentional release, can create an urgent need to assess water and food supplies, the environment, and monitor human health. Alpha-emitting radionuclides represent the most ionizing, and therefore the most damaging, form of radiation when internalized. Additionally, because of its ease of energy attenuation in solids or liquids, alpha emissions cannot be reliably monitored using non-destructive means. In the event of such an emergency, rapid and efficient methods will be needed to screen scores of samples (food, water, and human excreta) within a short time window. Unfortunately, the assay of alpha-emitting radionuclides using traditional radioanalytical methods is typically labor intensive and time consuming. The creation of analytical counting sources typically requires a series of chemical treatment steps to achieve well performing counting sources. In an effort to devise radioanalytical methods that are fast, require little labor, and minimize the use of toxic or corrosive agents, researchers at PNNL have evaluated magnetite (Fe3O4) nanoparticles as extracting agents for alpha-emitting radionuclides from chemically unmodified aqueous systems. It is demonstrated that bare magnetic nanoparticles exhibit high affinity for representative α-emitting radionuclides (241Am and 210Po) from representative aqueous matrices: river and ground water. Furthermore, use of the magnetic properties of these materials to concentrate the sorbed analyte from the bulk aqueous solution has been demonstrated. The nanoparticle concentrate can be either directly dispensed into scintillation cocktail, or first dissolved and then added to scintillation cocktail as a solution for alpha emission assay by liquid scintillation analysis. Despite the extreme quench caused by the metal oxide suspensions, the authors have demonstrated that quench correction features available on modern liquid scintillation analyzers can be employed to assure that quench-induced analytical biases can be avoided.

actinide↗
DOE OSTI2013

Capacitance enhancement via electrode patterning

The necessity of increasing the energy density in electric double layer capacitors to meet current demand is fueling fundamental and applied research alike. We report here molecular dynamics simulation results for aqueous electrolytes near model electrodes. Particular focus is on the effect of electrode patterning on the structure of interfacial electrolytes, and on the potential drop between the solid electrodes and the bulk electrolytes. The latter is estimated by numerically integrating the Poisson equation using the charge densities due to water and ions accumulated near the interface as input. We considered uniform and patterned electrodes, both positively and negatively charged. The uniformly charged electrodes are modeled as graphite. The patterned ones are obtained by removing carbon atoms from the top-most graphene layer, yielding nanoscopic squares and stripes patterns. For simplicity, the patterned electrodes are effectively simulated as insulators (the charge remains localized on the top-most layer of carbon atoms). Our simulations show that the patterns alter the structure of water and the accumulation of ions at the liquid-solid interfaces. Using aqueous NaCl solutions, we found that while the capacitance calculated for three positively charged electrodes did not change much, that calculated for the negatively charged electrodes significantly increased upon patterning. We find that both water structure and orientation, as well as ion accumulation affect the capacitance. As electrode patterning affects differently water structure and ion accumulation, it might be possible to observe ion-specific effects. These results could be useful for advancing our understanding of electric double layer capacitors, capacitive desalination processes, as well as of fundamental interfacial electrolytes properties.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Coarse-grained model of water diffusion and proton conductivity in hydrated polyelectrolyte membrane

Using dissipative particle dynamics (DPD), we simulate nanoscale segregation, water diffusion, and proton conductivity in hydrated sulfonated polystyrene (sPS). We employ a novel model [Lee et al. J. Chem. Theory Comput. 11(9), 4395-4403 (2015)] that incorporates protonation/deprotonation equilibria into DPD simulations. The polymer and water are modeled by coarse-grained beads interacting via short-range soft repulsion and smeared charge electrostatic potentials. The proton is introduced as a separate charged bead that forms dissociable Morse bonds with the base beads representing water and sulfonate anions. Morse bond formation and breakup artificially mimics the Grotthuss mechanism of proton hopping between the bases. The DPD model is parameterized by matching the proton mobility in bulk water, dissociation constant of benzenesulfonic acid, and liquid-liquid equilibrium of water-ethylbenzene solutions. The DPD simulations semi-quantitatively predict nanoscale segregation in the hydrated sPS into hydrophobic and hydrophilic subphases, water self-diffusion, and proton mobility. As the hydration level increases, the hydrophilic subphase exhibits a percolation transition from isolated water clusters to a 3D network. The analysis of hydrophilic subphase connectivity and water diffusion demonstrates the importance of the dynamic percolation effect of formation and breakup of temporary junctions between water clusters. The proposed DPD model qualitatively predicts the ratio of proton to water self-diffusion and its dependence on the hydration level that is in reasonable agreement with experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1974

Theoretical investigation of nonlinear three-dimensional instabilities in liquid rockets with real nozzles

An approximate analytical technique has been developed for the solution of nonlinear three-dimensional, transverse and axial combustion-instability problems that are frequently observed in liquid-propellant rocket motors. This theory is an extension and generalization of previous analyses, which could analyze either transverse or axial instabilities in liquid combustors with quasi-steady nozzles, to the practical situations of three-dimensional instabilities in combustors with conventional DeLaval nozzles. Unlike the quasi-steady nozzle, the presence of a conventional nozzle imposes restrictions upon the behavior of both the amplitudes and phases of the oscillations at the nozzle entrance plane. The applicability of the solution technique, which is based on the Galerkin method, is demonstrated by analyzing the nonlinear stability of a cylindrical liquid-rocket combustor with uniform injection of propellants at one end and a conventional nozzle at the other end. Crocco's pressure-sensitive time-lag model is used to describe the unsteady combustion process.

Powell, E. A.↗
NASA NTRS2009

Gas-Liquid Supersonic Cleaning and Cleaning Verification Spray System

NASA Kennedy Space Center (KSC) recently entered into a nonexclusive license agreement with Applied Cryogenic Solutions (ACS), Inc. (Galveston, TX) to commercialize its Gas-Liquid Supersonic Cleaning and Cleaning Verification Spray System technology. This technology, developed by KSC, is a critical component of processes being developed and commercialized by ACS to replace current mechanical and chemical cleaning and descaling methods used by numerous industries. Pilot trials on heat exchanger tubing components have shown that the ACS technology provides for: Superior cleaning in a much shorter period of time. Lower energy and labor requirements for cleaning and de-scaling uper.ninih. Significant reductions in waste volumes by not using water, acidic or basic solutions, organic solvents, or nonvolatile solid abrasives as components in the cleaning process. Improved energy efficiency in post-cleaning heat exchanger operations. The ACS process consists of a spray head containing supersonic converging/diverging nozzles, a source of liquid gas; a novel, proprietary pumping system that permits pumping liquid nitrogen, liquid air, or supercritical carbon dioxide to pressures in the range of 20,000 to 60,000 psi; and various hoses, fittings, valves, and gauges. The size and number of nozzles can be varied so the system can be built in configurations ranging from small hand-held spray heads to large multinozzle cleaners. The system also can be used to verify if a part has been adequately cleaned.

Parrish, Lewis M.↗
DOE OSTI2012

Nanolitre-scale crystallization using acoustic liquid-transfer technology

Acoustic droplet ejection achieves precise, tipless, non-invasive transfer of diverse aqueous solutions, enabling nanolitre-scale crystallization trials. The rapid and scalable technique demonstrated successful crystal growth with diverse targets in drop volumes as small as 20 nl. Focused acoustic energy allows accurate and precise liquid transfer on scales from picolitre to microlitre volumes. This technology was applied in protein crystallization, successfully transferring a diverse set of proteins as well as hundreds of precipitant solutions from custom and commercial crystallization screens and achieving crystallization in drop volumes as small as 20 nl. Only higher concentrations (>50%) of 2-methyl-2, 4-pentanediol (MPD) appeared to be systematically problematic in delivery. The acoustic technology was implemented in a workflow, successfully reproducing active crystallization systems and leading to the discovery of crystallization conditions for previously uncharacterized proteins. The technology offers compelling advantages in low-nanolitre crystallization trials by providing significant reagent savings and presenting seamless scalability for those crystals that require larger volume optimization experiments using the same vapor-diffusion format.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1976

Computer program grade 2 for the design and analysis of heat-pipe wicks

This user's manual describes the revised version of the computer program GRADE(1), which designs and analyzes heat pipes with graded porosity fibrous slab wicks. The revisions are: (1) automatic calculation of the minimum condenser-end stress that will not result in an excess-liquid puddle or a liquid slug in the vapor space; (2) numerical solution of the equations describing flow in the circumferential grooves to assess the burnout criterion; (3) calculation of the contribution of excess liquid in fillets and puddles to the heat-transport; (4) calculation of the effect of partial saturation on the wick performance; and (5) calculation of the effect of vapor flow, which includes viscousinertial interactions.

Eninger, J. E.↗
DOE OSTI2016

Growth, structure, and properties of GaAs-based (GaAs){sub 1–x–y}(Ge{sub 2}){sub x}(ZnSe){sub y} epitaxial films

The possibility of growing the (GaAs){sub 1–x–y}(Ge{sub 2}){sub x}(ZnSe){sub y} alloy on GaAs substrates by the method of liquid-phase epitaxy from a tin solution–melt is shown. X-ray diffraction shows that the grown film is single-crystal with the (100) orientation and has the sphalerite structure. The crystal-lattice parameter of the film is a{sub f} = 0.56697 nm. The features of the spectral dependence of the photosensitivity are caused by the formation of various complexes of charged components. It is established that the I–V characteristic of such structures is described by the exponential dependence I = I{sub 0}exp(qV/ckT) at low voltages (no higher than 0.4 V) and by the power dependence J ∼ V{sup α}, where the exponent α varies with increasing voltage at high voltages (V > 0.5 V). The results are treated within the framework of the theory of the drift mechanism of current transfer taking into account the possibility of the exchange of free carriers within the recombination complex.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Ion Correlations Decrease Particle Aggregation Rate by Increasing Hydration Forces at Interfaces

The connection between solution structure, particle forces, and emergent phenomena at solid–liquid interfaces remains ambiguous. In this case study on boehmite aggregation, we established a connection between interfacial solution structure, emerging hydration forces between two approaching particles, and the resulting structure and kinetics of particle aggregation. In contrast to expectations from continuum-based theories, we observed a nonmonotonic dependence of the aggregation rate on the concentration of sodium chloride, nitrate, or nitrite, decreasing by 15-fold in 4 molal compared to 1 molal solutions. These results are accompanied by an increase in repulsive hydration forces and interfacial oscillatory features from 0.27–0.31 nm in 0.01 molal to 0.38–0.52 nm in 2 molal. Moreover, molecular dynamics (MD) simulations indicated that these changes correspond to enhanced ion correlations near the interface and produced loosely bound aggregates that retain electrolyte between the particles. In conclusion, we anticipate that these results will enable the prediction of particle aggregation, attachment, and assembly, with broad relevance to interfacial phenomena.

36 MATERIALS SCIENCE↗
NASA NTRS1924

The problem of liquid fuels (for aircraft engines)

The crisis which troubles the world market for liquid fuel in general and for carburants in particular is doubtless one of the most serious ever experienced by modern industry. It is a national crisis of economic and political independence for countries like Italy and France. The solutions suggested for meeting the lack of liquid fuel may be summed up under two general headings: the economical use of the petroleum now available; creation of petroleum substitutes from natural sources within the country. The process of cracking is described at length.

FUELS↗
DOE OSTI2023

Decomposition of liquid-liquid extraction organic phase structure into critical and pre-peak contributions

Solution nanostructure induced by amphiphile self-association plays an important role in various chemical and physical processes, including liquid-liquid extraction (LLE). Small angle scattering techniques are an essential means of probing this structure, but, due to non-uniqueness of scattering patterns, their interpretation is not trivial. Here, in this study, we decompose small angle x-ray scattering (SAXS) patterns for a range of binary LLE organic phases into two components: Ornstein-Zernike and pre-peak contributions resulting from, respectively, critical concentration fluctuations and packing of the amphiphilic extractant molecules in the nonpolar aliphatic diluent. While we previously applied Ornstein-Zernike scattering models to similar organic phases, including the pre-peak explicitly in the fit allows us to measure weak fluctuations at high extractant concentration and simultaneously obtain information on the position and intensity of the correlation peak related to amphiphile packing. Scattering patterns and partial structure factors calculated from molecular dynamics simulations support this interpretation. We demonstrate how this minimal scattering model describes nanostructuring for a large number of extractant types over their entire extractant/diluent composition ranges, suggesting simple and universal behavior. The straightforward assignment of these structural contributions facilitates the comparison of these features between different classes of extractant molecules and will enable further studies of organic phase aggregation. Applicability to more complex, process-relevant organic phases is illustrated with post-contact organic phases containing significant quantities of extracted lanthanide nitrate salt, which we find are readily described by this model.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

Containing Tc-99 Using a Multi-sorbing Barrier Material - 18249

Immobilization of Tc-99 is a challenge at on-site waste disposal facilities in the DOE complex because the oxyanion pertechnetate (TcO{sub 4}{sup -}) binds weakly (if at all) to the surface of mineral solids and other conventional barrier materials (distribution coefficient, Kd<2 mL/g). The study described herein evaluated TcO{sub 4}{sup -} uptake from aqueous solutions using a multi-sorbing organo-clay barrier material synthesized from sodium-bentonite (Na-B) exchanged with hexadecyltrimethylammonium (HDTMA). The exchange transformed the negatively charged surface of Na-B to a positively charged surface to bind TcO{sub 4}{sup -}. Batch tests were conducted to evaluate sorption of TcO{sub 4}{sup -} onto the multi-sorbing clay barrier material using ammonium-pertechnetate solutions with activity ranging from 1000 to 2,000,000 pCi/L. Tests were conducted with a solid-to-liquid ratio of 1:100 in 50-mL centrifuge tubes rotated at 30 rpm for 24 hr. Solutions were created by dissolving ammonium-pertechnetate in DI water or synthetic low-level radioactive waste leachate. Solids were separated from the test solution by centrifugation at 4000 rpm for 10 min. A liquid scintillation counter was used to measure the Tc-99 in solution. Isotherms from the batch tests show that the multi-sorbing barrier material is very effective in removing Tc-99, with Kd > 2900 mL/g. Using this high capacity sorbent in engineered barriers may provide a sustainable solution to control release of Tc-99 and other anions of concern from on-site disposal facilities. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Fractionating and Purifying Softwood Kraft Lignin with Aqueous Renewable Solvents: Liquid–Liquid Equilibrium for the Lignin–Ethanol–Water System

Hot ethanol–water solutions can be used to simultaneously fractionate and purify softwood Kraft lignin through the Aqueous Lignin Purification with Hot Agents (ALPHA) process, using the regions of liquid–liquid equilibrium (LLE) that form at selected temperatures and solvent-to-lignin feed (S/F) ratios. Lignin, ethanol, and water compositions are measured for the solvent-rich (SR) and lignin-rich (LR) liquid phases in mutual equilibrium, as well as the lignin and metals mass distributions between the two phases. As depicted in quasi-ternary diagrams for clarity, both temperature and S/F ratio can be used to grow, merge, and even split the regions of LLE, giving significant control over both molecular weight (MW) and lignin purity. For example, a solvent comprising 45:55 EtOH/H 2 O at 75 °C and an S/F ratio of 6:1 enables recovery of an ultrapure (95 % of Na removed), higher MW (M n =8400 Da) lignin fraction in the LR phase. On the other hand, 95:5 EtOH/H 2 O at 45 °C and S/F=3:1 enables recovery of an ultrapure, low MW (1500 Da) lignin in the SR phase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

Multi-dimensional analysis of combustion instabilities in liquid rocket motors

A three-dimensional analysis of combustion instabilities in liquid rocket engines is presented based on a mixed finite difference/spectral solution methodology for the gas phase and a discrete droplet tracking formulation for the liquid phase. Vaporization is treated by a simplified model based on an infinite thermal conductivitiy assumption for spherical liquid droplets of fuel in a convective environment undergoing transient heating. A simple two parameter phenomenological combustion response model is employed for validation of the results in the small amplitude regime. The computational procedure is demonstrated to capture the phenomena of wave propagation within the combustion chamber accurately. Results demonstrate excellent amplitude and phase agreement with analytical solutions for properly selected grid resolutions under both stable and unstable operating conditions. Computations utilizing the simplified droplet model demonstrate stable response to arbitrary pulsing. This is possibly due to the assumption of uniform droplet temperature which removes the thermal inertia time-lag response of the vaporization process. The mixed-character scheme is sufficiently efficient to allow solutions on workstations at a modest increase in computational time over that required for two-dimensional solutions.

Grenda, Jeffrey M.↗
DOE OSTI2016

Evaluation of long-term surface-retrieved cloud droplet number concentration with in situ aircraft observations

A new cloud-droplet number concentration (NDROP) value added product (VAP) has been produced at the Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) site for the 13 years from January 1998 to January 2011. The retrieval is based on surface radiometer measurements of cloud optical depth from the multi-filter rotating shadow-band radiometer (MFRSR) and liquid water path from the microwave radiometer (MWR). It is only applicable for single-layered warm clouds. Validation with in situ aircraft measurements during the extended-term aircraft field campaign, Routine ARM Aerial Facility (AAF) CLOWD Optical Radiative Observations (RACORO), shows that the NDROP VAP robustly reproduces the primary mode of the in situ measured probability density function (PDF), but produces a too wide distribution, primarily caused by frequent high cloud-droplet number concentration. Our analysis shows that the error in the MWR retrievals at low liquid water paths is one possible reason for this deficiency. Modification through the diagnosed liquid water path from the coordinate solution improves not only the PDF of the NDROP VAP but also the relationship between the cloud-droplet number concentration and cloud-droplet effective radius. Consideration of entrainment effects rather than assuming an adiabatic cloud improves the values of the NDROP retrieval by reducing the magnitude of cloud-droplet number concentration. Aircraft measurements and retrieval comparisons suggest that retrieving the vertical distribution of cloud-droplet number concentration and effective radius is feasible with an improvement of the parameter representing the mixing effects between environment and clouds and with a better understanding of the effect of mixing degree on cloud properties.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Why are Lead Iodide‐Based Perovskite Precursor Inks Yellow?

A challenge faced by metal halide perovskite (MHP) photovoltaics is scaling up solution deposition processes to realize rapid and inexpensive manufacturing. The challenge lies in completely understanding and controlling solution speciation, nucleation, and self-assembly of iodoplumbate complexes during solvent evaporation as the liquid transforms into gels and solids. An accurate description of solution species, at all points in the transformation, is a prerequisite to design robust and reliable processes. Here, in this study, the common assumption that initial monoplumbate solution species typically invoked (e.g., [PbI 6 ] 4− ) are certainly not the origin of optical absorbance at >400 nm wavelengths is disproved, as are many large particles of common “intermediate” iodoplumbate phases with face- or edge-sharing connectivity. Instead, a new perspective is offered, involving (partially) corner-sharing iodo(poly)plumbates (>1 Pb 2+ per complex) that experience highly dynamic chemical environments. It is outlined how the MHP field would benefit by elucidating these phenomena. Future work is required to determine the size and kinetic behavior of polyplumbate species, and contextualize these findings in relation to broader trends in materials chemistry beyond MHPs. Ultimately, a complete explanation for the solution speciation, optical absorbance signatures, and the color of MHP precursor inks remains an open challenge to the community.

14 SOLAR ENERGY↗
DOE OSTI2016

Nondisruptive Dissolution of Hyperpolarized 129 Xe into Viscous Aqueous and Organic Liquid Crystalline Environments

Studies of hyperpolarized xenon-129 (hp- 129 Xe) in media such as liquid crystals and cell suspensions are in demand for applications ranging from biomedical imaging to materials engineering but have been hindered by the inability to bubble Xe through the desired media as a result of viscosity or perturbations caused by bubbles. In this paper a device is reported that can be reliably used to dissolve hp- 129 Xe into viscous aqueous and organic samples without bubbling. This method is robust, requires small sample volumes (<60 μL), is compatible with existing NMR hardware, and is made from readily available materials. Experiments show that Xe can be introduced into viscous and aligned media without disrupting molecular order. We detected dissolved xenon in an aqueous liquid crystal that is disrupted by the shear forces of bubbling, and we observed liquid-crystal phase transitions in (MBBA). This tool allows an entirely new class of samples to be investigated by hyperpolarized-gas NMR spectroscopy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Hourglass–Shaped Nanocages with Concaved Structures Based on Selective Self–Complementary Coordination Ligands and Tunable Hierarchical Self–Assembly

Three-dimensional (3D) structures constructed via coordination-driven self-assemblies have recently garnered increasing attention due to the challenges in structural design and potential applications. In particular, developing new strategy for the convenient and precise self-assemblies of 3D supramolecular structures is of utmost interest. Introducing the concept of self-coordination ligands, herein the design and synthesis of two meta-modified terpyridyl ligands with selective self-complementary coordination moiety are reported and their capability to assemble into two hourglass-shaped nanocages SA and SB is demonstrated. Within these 3D structures, the meta-modified terpyridyl unit preferably coordinates with itself to serve as concave part. By changing the arm length of the ligands, hexamer (SA) and tetramer (SB) are obtained respectively. In-depth studies on the assembly mechanism of SA and SB indicate that the dimers could be formed first via self-complementary coordination and play crucial roles in controlling the final structures. Moreover, both SA and SB can go through hierarchical self-assemblies in solution as well as on solid–liquid interface, which are characterized by transmission electron microscope (TEM) and scanning tunneling microscopy (STM). As a result, it is further demonstrated that various higher-order assembly structures can be achieved by tuning the environmental conditions.

3D metallo-supramolecules↗