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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Simulant Development of Potential 200 West Area Waste Feeds

Preliminary planning for retrieval, qualification, and pretreatment of waste in Hanford’s 200 West Area (200W) has begun as part of the West Area Risk Management project. Experimental studies to technically mature pretreatment process operations will likely be needed because of the uniqueness of 200W waste. Pacific Northwest National Laboratory formulated five simulants to represent 200W-qualified feed based on the preliminary flowsheet provided by Washington River Protection Solutions, LLC. The simulant recipes were devised using applicable historical information as a reference point to support the use of the flowsheet waste vectors, which were combined into five distinct groups. These five groups formed the basis for the liquid composition targets that were adapted into recipes using charged-balanced salt species. The liquid phase recipes were batched in 1-L quantities and analyzed at Pacific Northwest National Laboratory. Once confirmed to be stable, the liquid solutions were tested for compatibility with candidate solid components. Specific solid components were recommended based on cross-examining the proposed solid phases in the flowsheet with relevant data from the literature. Mixtures of solid components were added to aliquots of the liquid batches and sub-sampled to measure particle size distribution. The measured distribution was compared to independently created benchmark distributions appropriate for each simulant. This process was iterated until a solid phase composition that resulted in a representative particle size distribution was found. After the final compositions were confirmed, a suite of chemical and physical characterization data was collected. This report describes the simulant basis, formulation methodology, laboratory measurements, and data collected for the recipes recommended to represent 200W waste feeds.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1987

Isolation and characterization of esters of indole-3-acetic acid from the liquid endosperm of the horse chestnut (Aesculus species)

Esters of indole-3-acetic acid were extracted and purified from the liquid endosperm of immature fruits of various species of the horse chestnut (Aesculus parviflora, A. baumanni, A. pavia rubra, and A. pavia humulis). The liquid endosperm contained, at least 12 chromatographically distinct esters. One of these compounds was purified and characterized as an ester of indole-3-acetic acid and myo-inositol. A second compound was found to be an ester of indole-3-acetic acid and the disaccharide rutinose (glucosyl-rhamnose). A third compound was partially characterized as an ester of indole-3-acetic acid and a desoxyaminohexose.

NASA Discipline Number 40-10↗
NASA NTRS1975

Sodium sulfate: Vaporization thermodynamics and role in corrosive flames

Gaseous species over liquid Na2SO4 were identified by the technique of molecular beam mass spectrometry. The heat and entropy of vaporization of the Na2SO4 molecule were measured directly. Comparisons of the experimental entropy with values calculated using various molecular parameters were used to estimate the molecular structure and vibrational frequencies. The thermodynamic properties of gaseous and condensed phase Na2SO4, along with additional pertinent species, were used in a computer program to calculate equilibrium flame compositions and temperatures for representative turbine engine and burner rig flames. Compositions were calculated at various fuel-to-oxidant ratios with additions of sulfur to the fuel and the components of sea salt to the intake air. Temperatures for condensation of Na2SO4 were obtained as a function of sulfur and sea salt concentrations.

Kohl, F. J.↗
DOE OSTI2025

TIGER, A thermodynamics Equilibrium Tool for Explosives Update: Improved Solver

The thermodynamic equilibrium code known as TIGER has been in use since the 1970s and is designed to calculate the performance of energetic materials during detonation at high temperatures and pressures. The original TIGER code utilized a limited database consisting of 12 gaseous and 3 condensed constituents, which were composed of the elements carbon (C), hydrogen (H), nitrogen (N), oxygen (O), and aluminum (Al). In contrast, the more modern JCZS3 database features a significantly larger dataset, including 756 gaseous species, 189 positive and negative ions, and 496 condensed constituents derived from 62 different elements. While this expanded product species database allows for the exploration of a broader range of problems relevant to our laboratory, it also introduces challenges related to convergence, particularly when both liquid and solid species coexist under a vapor dome. In this work, we present an improved TIGER solution technique aimed at accurately determining the equilibrium state for systems that can produce a diverse array of products, including both solid and liquid condensed species. This report presents the status of the TIGER solver as of the end of FY25. Ongoing efforts are focused on enhancing the solver, and the report outlines several planned improvements. We anticipate that further developments will require additional documentation in the future.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

The Delplot kinetic method applied to systems with adsorbates: Hydrodeoxygenation of benzofuran on a bimetallic CoPd phosphide catalyst supported on KUSY

The Delplot method provides a means of analyzing conversion and selectivity data to derive a reaction sequence and has been applied so far to gas-phase or liquid-phase species. This study analyses the applicability of the method for catalytic reactions and considers for the first time adsorbed intermediates. The method is applied to a contact time study of the hydrodeoxygenation (HDO) of benzofuran at 0.5 MPa and 350 °C over a catalyst consisting of bimetallic CoPd phosphide supported on a potassium ion-exchanged ultra-stable Y (KUSY) zeolite. Both simple and detailed reaction networks were derived. The simple networks considered only gas-phase species and were modeled by a first-order sequence of steps, whereas the detailed network took into account adsorbed intermediates and was simulated using a rake mechanism. The networks were compared using F-statistics, which accounted for the differences in the number of fitting parameters. The detailed network gave a better fit to the experimental data because it represented a more realistic description of the transformation. A suggested sequence from the Delplot method was consistent with the simple network but not with the detailed network. The lack of applicability of the Delplot analysis to the network with adsorbates was linked to overly large equilibrium constants, a determination supported by Delplot fitting for a model sequence. Further, this study indicated the inapplicability of the Delplot method in determining reaction sequences that involve adsorbed species with large equilibrium constants for formation.

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

Hollow-core optical fibre sensors for operando Raman spectroscopy investigation of Li-ion battery liquid electrolytes

Improved analytical tools are urgently required to identify degradation and failure mechanisms in Li-ion batteries. However, understanding and ultimately avoiding these detrimental mechanisms requires continuous tracking of complex electrochemical processes in different battery components. Here, we report an operando spectroscopy method that enables monitoring the chemistry of a carbonate-based liquid electrolyte during electrochemical cycling in Li-ion batteries with a graphite anode and a LiNi 0.8 Mn 0.1 Co 0.1 O 2 cathode. By embedding a hollow-core optical fibre probe inside a lab-scale pouch cell, we demonstrate the effective evolution of the liquid electrolyte species by background-free Raman spectroscopy. The analysis of the spectroscopy measurements reveals changes in the ratio of carbonate solvents and electrolyte additives as a function of the cell voltage and show the potential to track the lithium-ion solvation dynamics. The proposed operando methodology contributes to understanding better the current Li-ion battery limitations and paves the way for studies of the degradation mechanisms in different electrochemical energy storage systems.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Cesium Removal from Surrogate Pyroprocessing Salt by Electrodeposition

Active metals in used nuclear fuel dissolve into the salt during pyroprocessing and are not removed by electrorefining or drawdown operations. The buildup of 137 Cs over time increases the heat load and ionizing radiation level of the salt such that it must be replaced frequently, resulting in a significant amount of salt waste. An effective means of managing cesium in the molten salt electrolyte would increase the efficiency of pyroprocessing and decrease the volume of salt waste requiring disposal. A previous report summarized issues that must be addressed when developing a removal strategy and assessed the suitability of existing methods and remaining technological gaps to their application (Rose and Thomas 2023). Cesium is extremely stable in molten salt as a chloride—even more stable than the LiCl-KCl eutectic base salt used for pyroprocessing fuel—which makes removing cesium a challenge. However, sufficiently strong atomic interactions occur between active metal species and liquid metals that make the electrodeposition of active metal fission products into liquid metal electrodes energetically favorable. The feasibility of recovering cesium from LiCl-KCl pyroprocessing salt through electrodeposition into liquid metals is eing assessed by identifying potentially effective liquid metals and performing tests to determine the effectiveness of electrodepositing cesium from a LiCl/KCl salt into these liquid metals. Previous studies investigating the electrodeposition of Sr 2+ , and Ba 2+ into zinc, cadmium, bismuth, lead, tin and antimony have shown that alkali and alkaline earth metals can be electrodeposited at liquid metal cathodes (Kim et al., 2018). The removal of Ba 2+ and Sr 2+ was measured to be more efficient than the removal of monovalent cations due to the greater thermochemical driving force for alloying those elements with the liquid metal (Jang et al. 2022). Because the equilibrium potentials are dependent on the interactions of the active metal in the liquid metal, it is likely that the other alkali metals Li + , and K + , will deposit from LiCl/KCl salt with the Cs + . Therefore, application of this method to recover active metals from pyroprocessing salt will benefit from the use of a liquid metal and set of operating conditions that sufficiently increase the reduction potential of cesium to remove cesium from the waste salt with an acceptable amount of co-deposited lithium and potassium.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1982

A primer on sulfur for the planetary geologist

Sulfur has been proposed as the dominant composition for the volcanic material on Io. Sulfur is a complex element which forms many intramolecular and intermolecular allotropes exhibiting a variety of physical properties. Cyclo-S8 sulfur is the most abundant and stable molecular form. The important molecular species within liquid sulfur change in concentration with temperature. Concentrations of the allotropes control the physical properties of the melt. Discontinuities in density, viscosity, and thermal properties reflect the polymerization process within liquid sulfur. Variations in the melting point are related to autodissociation of the liquid. Many solids forms of sulfur have been identified but only orthorhombic alpha and monoclinic beta sulfur, both composed of cyclo-S8 sulfur, are stable under terrestrial conditions. Physical properties of solid sulfur are dependent on the allotrope and, in some cases, the thermal history. Three natural terrestrial sulfur flows are described: (1) Siretoko-Iosan, Japan; (2) Volcan Azufre, Galapagos Islands; and (3) Mauna Loa, Hawaii. All of the flows are associated with fumarolic areas and are considered to have formed by the melting and mobilization of sulfur deposits. Surface textures of the flows indicate a behavior of molten sulfur similar to that of silicate lava. Channels, rivulets, and lobate edges were described for the flows. The solidification of man-made sulfur flows formed as part of the Frasch mining process by which sulfur is removed from the subsurface in a liquid state is described.

Theilig, E.↗
NASA NTRS2003

Noncircular Cross Sections Could Enhance Mixing in Sprays

A computational study has shown that by injecting drops in jets of gas having square, elliptical, triangular, or other noncircular injection cross sections, it should be possible to increase (relative to comparable situations having circular cross section) the entrainment and dispersion of liquid drops. This finding has practical significance for a variety of applications in which it is desirable to increase dispersion of drops. For example, in chemical-process sprays, increased dispersion leads to increases in chemical- reaction rates; in diesel engines, increasing the dispersion of drops of sprayed fuel reduces the production of soot; and in household and paint sprays, increasing the dispersion of drops makes it possible to cover larger surfaces. It has been known for some years that single-phase fluid jets that enter flow fields through noncircular inlets entrain more fluid than do comparable jets entering through circular inlets. The computational study reported here was directed in part toward determining whether and how this superior mixing characteristic of noncircular single phase jets translates to a similar benefit in cases of two-phase jets (that is, sprays). The study involved direct numerical simulations of single- and two-phase free jets with circular, elliptical, rectangular, square, and triangular inlet cross sections. The two-phase jets consisted of gas laden with liquid drops randomly injected at the inlets. To address the more interesting case of evaporating drops, the carrier gas in the jets was specified to be initially unvitiated by the vapor of the liquid chemical species and the initial temperature of the drops was chosen to be smaller than that of the gas. The mathematical model used in the study was constructed from the conservation equations for the two-phase flow and included complete couplings of mass, momentum, and energy based on thermodynamically self-consistent specification of the enthalpy, internal energy, and latent heat of vaporization of the vapor.

Bellan, Josette↗
NASA NTRS2009

Dielectrophoresis-based particle sensor using nanoelectrode arrays

A method for concentrating or partly separating particles of a selected species from a liquid or fluid containing these particles and flowing in a channel, and for determining if the selected species particle is present in the liquid or fluid. A time varying electrical field E, having a root-mean-square intensity E.sup.2.sub.rms with a non-zero gradient in a direction transverse to the liquid or fluid flow direction, is produced by a nanostructure electrode array, with a very high magnitude gradient near exposed electrode tips. A dielectrophoresis force causes the selected particles to accumulate near the electrode tips, if the medium and selected particles have substantially different dielectric constants. An insulating material surrounds most of each of the nanostructure electrodes, and a region of the insulating material surface is functionalized to promote attachment of the selected species particles to the surface. An electrical property value Z(meas) is measured at the functionalized surface and is compared with a reference value Z(ref) to determine if the selected species particles are attached to the functionalized surface.

Li, Jun↗
NASA NTRS2013

Dielectrophoresis-Based Particle Sensor Using Nanoelectrode Arrays

A method has been developed for concentrating, or partly separating, particles of a selected species from a liquid or gas containing these particles, and flowing in a channel. An example of this is to promote an accumulation (and thus concentration) of the selected particle (e.g., biological species such as E. coli, salmonella, anthrax, tobacco mosaic virus or herpes simplex, and non-biological materials such as nano- and microparticles, quantum dots, nanowires, nano - tubes, and other inorganic particles) adjacent to the first surface. Additionally, this method can also determine if the particle species is present in the liquid. This is accomplished by providing an insulating material in an interstitial volume between two or more adjacent nanostructure electrodes. It can also be accomplished by providing a functionalizing substance, located on a selected region of the insulating material surface, which promotes attachment of the selected species particles to the functionalized surface, and measuring a selected electrical property such as electrical impedance, conductance, or capacitance. A time-varying electrical field E, having a root-mean-square intensity of E(sup 2) rms, with a non-zero gradient in a direction transverse to the liquid or fluid flow direction, is produced by a nanostructure electrode array with a very high-magnitude gradient near exposed electrode tips. A dielectrophoretic force causes the selected particles to accumulate near the electrode tips, if the medium and selected particles have substantially different dielectric constants. An insulating material surrounds most of the nanostructure electrodes, and a region of the insulating material surface is functionalized to promote attachment of the selected particle species to the surface. An electrical property value Z(meas) is measured at the functionalized surface, and is compared with a reference value Z(ref) to determine if the selected species particles are attached to the functionalized surface. Some advantages of this innovation are that an array of nanostructure electrodes can provide an electric field intensity gradient that is one or more orders of magnitude greater than the corresponding gradient provided by a conventional microelectrode arrangement, and that, as a result of the high-magnitude field intensity gradients, a nanostructure concentrator can trap particles from high-speed microfluidic flows. This is critical for applications where the entire analysis must be performed in a few minutes

Li, Jun↗
DOE OSTI2024

Absolute Reactive Oxygen Species Densities in the Effluent of the COST Reference Source and Plasma-generated Atomic Oxygen Density Measurements in Liquid using TALIF

Reactive oxygen species are one of the most important species produced in a plasma. In particular the role of atomic oxygen and the hydroxyl radical OH has attracted many studies ranging from plasma medicine to plasma-driven biocatalysis and water treatment. Atomic oxygen and the hydroxyl radical OH are very reactive and react unselectively with many different substrates. The quantification of atomic oxygen and OH is challenging because of their reactivity and unknown reactions and rate constants.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Generation of reactive species in water film dielectric barrier discharges sustained in argon, helium, air, oxygen and nitrogen

Activation of liquids with atmospheric pressure plasmas is being investigated for environmental and biomedical applications. When activating the liquid using gas plasma produced species (as opposed to plasmas sustained in the liquid), a rate limiting step is transport of these species into the liquid. To first order, the efficiency of activating the liquid is improved by increasing the ratio of the surface area of the water in contact with the plasma compared to its volume—often called the surface-to-volume ratio (SVR). Maximizing the SVR then motivates the plasma treatment of thin films of liquids. In this paper, results are discussed from a computational investigation using a global model of atmospheric pressure plasma treatment of thin water films by a dielectric barrier discharge (DBD) sustained in different gases (Ar, He, air, N 2 , O 2 ). The densities of reactive species in the plasma activated water (PAW) are evaluated. The residence time of the water in contact with the plasma is increased by recirculating the PAW in plasma reactor. Longer lived species such as H 2 O 2aq and NO 3 - aq accumulate over time (aq denotes an aqueous species). DBDs sustained in Ar and He are the most efficient at producing H 2 O 2aq , DBDs sustained in argon produces the largest density of NO 3 - aq with the lowest pH, and discharges sustained in O 2 and air produce the highest densities of O 3aq . Finally, comparisons to experiments by others show agreement in the trends in densities in PAW including O 3aq , OH aq , H 2 O 2aq and NO 3 - aq , and highlight the importance of controlling desolvation of species from the activated water.

42 ENGINEERING↗
NASA NTRS1993

Combustion synthesis of advanced composite materials

Self-propagating high temperature (combustion) synthesis (SHS), has been investigated as a means of producing both dense and expanded (foamed) ceramic and ceramic-metal composites, ceramic powders and whiskers. Several model exothermic combustion synthesis reactions were used to establish the importance of certain reaction parameters, e.g., stoichiometry, green density, combustion mode, particle size, etc. on the control of the synthesis reaction, product morphology and properties. The use of an in situ liquid infiltration technique and the effect of varying the reactants and their stoichiometry to provide a range of reactant and product species i.e., solids, liquids and gases, with varying physical properties e.g., volatility and thermal conductivity, on the microstructure and morphology of synthesized composite materials is discussed. Conducting the combustion synthesis reaction in a reactive gas environment to take advantage of the synergistic effects of combustion synthesis and vapor phase transport is also examined.

Moore, John J.↗
NASA NTRS1992

Combustion synthesis of advanced materials

The combustion synthesis of ceramic-metal composites using an in-situ liquid infiltration technique is described. The effect of varying the reactants and their stoichiometry to provide a range of reactant and product species i.e. solids, liquids and gases, with varying physical properties e.g. thermal conductivity, on the microstructure and morphology of synthesized products is also described. Alternatively, conducting the combustion synthesis reaction in a reactive gas environment is also discussed, in which advantages can be gained from the synergistic effects of combustion synthesis and vapor phase transport. In each case, the effect of the presence or absence of gravity (density) driven fluid flow and vapor transport is discussed as is the potential for producing new and perhaps unique materials by conducting these SHS reactions under microgravity conditions.

Moore, J. J.↗
DOE OSTI2023

Influence of liquid conductance on the temporal evolution of self-organization patterns in atmospheric pressure DC glow discharges

Abstract Self-Organized Patterns (SOPs) at plasma-liquid interface in atmospheric pressure plasma discharges refer to the formation of intricate and puzzling structures due to the interplay of electrodynamic and hydrodynamic processes. Studies conducted to date have shown that this phenomenon results in the formation of distinctive patterns such as circular ring, star, gear, dots, spikes, etc., and primarily depends on working gas, electrolyte type, gap distance, current, conductivity, etc. However, an adequate understanding of how these patterns change from one type to another is still not available. This study aims to elucidate the influence of initial liquid conductance ( σ i ) on the temporal evolution of SOPs in liquid-anode discharges. The discharge was generated in a pin-to-liquid anode configuration at a constant helium (He) flow rate of 500 sccm and DC applied voltage of 6 kV at a gap distance of 12 mm. Through the gradual increment of σ i from 1.8 μ S to 4820 μ S, we observe that the trend in the evolution of SOPS takes place as solid discs, spikes, dots, rings, double rings, and stars. The continuous formation of reactive species onto the liquid anode in all conductive solutions results in a decrease in pH, an increase in bulk liquid temperature, and an increase in total dissolved solutes, and these have been confirmed through experimental measurements. Observations using optical emission spectroscopy show that the electrons at the plasma-liquid interface participate in the reduction of cations followed by their excitation & ionization due to which electron density as well as emissions from excited species (mainly hydroxyl radicals & excited nitrogen) decrease with time. Our investigation provides experimental evidence on the presence of cations at the plasma-liquid interface required for SOP formation.

Physics↗
DOE OSTI2021

Solvent Effects on Catalytic Reactions and Related Phenomena at Liquid-Solid Interfaces

Catalytic reactions involve the direct interaction of reactants, intermediates and products with the catalyst surface. We not only need to control the atomic structure and electronic properties of the active site, but also explore the multiple molecular interactions that occur beyond the active site; they play an essential role in altering the binding and reactivity of surface species. In liquid-phase catalysis, solvents provide additional degrees of freedom in the design of the catalytic process for desirable activity and selectivity. Here, the multi-faceted effects of solvents have a profound impact on the catalyst performance by restricting the mass transfer to the site, tuning the chemical potential of the surface species, competing for active sites, stabilizing the initial and transition states, and causing mechanistic changes by participating in the kinetically relevant elementary steps. This review addresses the different aspects of solvent effects, using a few prototype solid-liquid interfaces to illustrate these fundamental features. Recent experimental and computational studies that provide new insight at the molecular level are examined. Solvent structures in the proximity of the catalyst surface are discussed along with their influence in molecular binding and reaction at the solid-liquid interfaces. Furthermore, opportunities to alter such a solid-liquid interaction by tuning the wettability of the catalyst surfaces are explored.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

Coefficients for calculating thermodynamic and transport properties of individual species

Libraries of thermodynamic data and transport properties are given for individual species in the form of least-squares coefficients. Values of C(sup 0)(sub p)(T), H(sup 0)(T), and S(sup 0)(T) are available for 1130 solid, liquid, and gaseous species. Viscosity and thermal conductivity data are given for 155 gases. The original C(sup 0)(sub p)(T) values were fit to a fourth-order polynomial with integration constants for H(sup 0)(T) and S(sup 0)(T). For each species the integration constant for H(sup 0)(T) includes the heat of formation. Transport properties have a different functional form. The temperature range for most of the data is 300 to 5000 K, although some of the newer thermodynamic data have a range of 200 to 6000 K. Because the species are mainly possible products of reaction, the data are useful for chemical equilibrium and kinetics computer codes. Much of the data has been distributed for several years with the NASA Lewis equilibrium program CET89. The thermodynamic properties of the reference elements were updated along with about 175 species that involve the elements carbon, hydrogen, oxygen, and nitrogen. These sets of data will be distributed with the NASA Lewis personal computer program for calculating chemical equilibria, CETPC.

Mcbride, Bonnie J.↗