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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Investigation of the effects of soluble boron tracking on coupled CTF / NEM, LWR simulations

The primary objective of this study is to evaluate the effects of introducing a boron tracking capability to the COBRA-TF / NEM code coupling. The Pennsylvania State University (PSU) versions of COBRA-TF - CTF, and Nodal Expansion Method (NEM) codes are utilized. Previous implementations of the CTF / NEM coupled code had no capability to model soluble boron feedback effects due to boron transport. This study builds upon the validation and qualification efforts of the boron tracking model implementation in CTF by modeling the boron feedback calculated by the CTF boron tracking model in NEM. The core model chosen for this study is the Purdue MOX/UO{sub 2} core model used in the 2007 OECD/NRC code benchmark study. Following the implementation of an explicit online coupling scheme and accompanying k-search routine, the newly coupled CTF / NEM code version with boron tracking is compared to prior results of the non-boron tracking CTF / NEM code version at steady-state hot full power and hot zero power conditions. It was found that the boron tracking model exhibited little influence on the hot zero power result as expected due to a smaller heat flux, which does not significantly change the moderator density and boron concentration as the moderator travels up the axial core length. Meanwhile the boron tracking model had a much greater impact on the hot full power results, predicting the critical inlet boron concentration to be 9.9 ppm below the non-boron tracking result due to greater and more rapid changes in boron concentration corresponding to the reduction in moderator density from being more rapidly heated. (authors)

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Criticality control of a high-performance soluble-boron-free small modular reactor core

The pursuit for a soluble-boron-free (SBF) PWR core has been on-going for more than three decades. It is known that feasibility of such a design is generally higher as the core power (hence core size) is reduced. It is upon this observation that a new approach for an SBF small modular reactor (SMR) core was recently proposed. This paper aims to present criticality control management of the said investigation. All calculations in this study were completed using the 2-step Serpent /Coredax reactor analysis with ENDF/B-7.1 nuclear data library. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Aqueous redox flow battery electrolytes with high chemical and electrochemical stability, high water solubility, low membrane permeability

The invention features redox flow batteries and compound useful therein as negolytes or posolytes. The batteries and compounds are advantageous in terms of being useable in water solutions at neutral pH and have extremely high capacity retention. Suitable negolytes are diquaternized bipyridines, suitable posolytes are water-soluble ferrocene derivatives.

Gordon, Roy G.↗
DOE OSTI2019

Comment on “Solubilities of ammonia in basic imidazolium ionic liquids” [Fluid Phase Equilib. 297 (2010) 34–39]

The enthalpies of solvation of ammonia in imidazolium-based ionic liquids (and other associated thermodynamic properties) are re-analyzed based on the data of [Fluid Phase Equilib. 297 (2010) 34–39], correcting numerical errors in the original analysis. In contrast to the original conclusions, the re-analyzed data demonstrates that the enthalpy of solvation is not a strong function of alkyl chain length. Here, the errors and uncertainties of the analysis procedure are also discussed, suggesting that the strong observed temperature dependence of enthalpy may in fact be an artifact of the systematic neglect of the non-ideality of the ammonia solute.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

The Crystal Structure of the Extracellular 11-heme Cytochrome UndA Reveals a Conserved 10-heme Motif and Defined Binding Site for Soluble Iron Chelates.

Members of the genus Shewanella translocate deca- or undeca-heme cytochromes to the external cell surface thus enabling respiration using extracellular minerals and polynuclear Fe(III) chelates. The high resolution structure of the first undeca-heme outer membrane cytochrome, UndA, reveals a crossed heme chain with four potential electron ingress/egress sites arranged within four domains. Sequence and structural alignment of UndA and the deca-heme MtrF reveals the extra heme of UndA is inserted between MtrF hemes 6 and 7. The remaining UndA hemes can be superposed over the heme chain of the decaheme MtrF, suggesting that a ten heme core is conserved between outer membrane cytochromes. The UndA structure is the first outer membrane cytochrome to be crystallographically resolved in complex with substrates, an Fe(III)-nitrilotriacetate dimer or an Fe(III)-citrate trimer. The structural resolution of these UndA-Fe(III)-chelate complexes provides a rationale for previous kinetic measurements on UndA and other outer membrane cytochromes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

An All-Soluble Fe/Mn-Based Alkaline Redox Flow Battery System

Redox flow batteries (RFBs) are membrane-separated rechargeable flow cells with redox electrolytes, offering the potential for large-scale energy storage and supporting renewable energy grids. Yet, creating a cost-effective, high-performance RFB system is challenging. In this work, we investigate an Fe/Mn RFB alkaline system based on the [(TEA)Fe–O–Fe(TEA)] 3– / 4– and MnO 4 – / 2– redox couples with a theoretical cell voltage of ~1.43 V. This combination has not been systematically studied previously, but it can lead to a very low-cost and sustainable materials for high energy storage. Constant current cycling tests were performed at ±41 mA cm –2 between 20% and 80% SOC over 800 h (400 cycles) with an apparent Coulombic efficiency (CE) approaching 100%, while the voltage efficiency (VE) gradually decreased from ~75.3% to ~61.4% due to increasing internal resistances. Finally, the voltage efficiency loss can be mitigated through a periodic acid treatment to remove MnO 2 deposits from the separator.

25 ENERGY STORAGE↗
DOE OSTI2020

Optimized Electrolyte with High Electrochemical Stability and Oxygen Solubility for Lithium–Oxygen and Lithium–Air Batteries

Lithium-oxygen (Li-O2) batteries with high reversibility require a stable electrolyte against the side reactions with Li metal anode and reactive oxygen species. Moreover, an electrolyte which can effectively utilize the low partial pressure of oxygen in atmosphere has significance effect on the practical application lithium-air batteries. In this study, we developed a localized high concentration electrolyte (LHCE) using 1H,1H,5H-Octafluoropentyl 1,1,2,2-tetrafluoroethyl ether (OTE) as a diluent, which satisfies all these conditions at the same time. The OTE-based LHCE exhibits much improved electrochemical performances in Li-O2 batteries and Li-air batteries compared to the conventional electrolyte and high concentration electrolyte. The design principle of this novel electrolyte also provides an important guideline and reference for future researches of electrolytes in Li-O2 and Li-air batteries.

lithium air batteries, Localized high concentratio↗
DOE OSTI2012

Pressure effects on phase equilibria and solid solubility in MgO-Y2O3 nanocomposites

We study the temperature and pressure dependence of phase evolution in the 0.5MgO-0.5Y{sub 2}O{sub 3} nanocomposite system using a diamond anvil apparatus in conjunction with in situ synchrotron energy dispersive x-ray diffraction at 7 GPa hydrostatic pressure. At (298 K, 7.0 GPa), structural transformations in the Y{sub 2}O{sub 3} phase are observed, giving rise to the co-existence of its cubic, hexagonal, and monoclinic polymorphs together with cubic MgO. An increase in temperature to 1273 K causes the crystallinity of the Y{sub 2}O{sub 3} hexagonal and monoclinic phases to increase. Isothermal and isobaric hold at (1273 K, 7.0 GPa) for 60 min results in yttrium dissolution in cubic MgO, causing {approx}1.0% expansive volumetric lattice strain despite the large differences in the ionic radii of the cations. Cooling the nanocomposite to (298 K, 0 GPa) after a 60 min soak yields four phase co-existence among cubic MgO and cubic, hexagonal, and monoclinic Y{sub 2}O{sub 3}. The residual MgO unit cell volume expansion is 0.69% at 298 K, indicating solid solution formation at room temperature despite large differences in the ionic radii of Mg{sup 2+} and Y{sup 3+}. The macroscopic shrinkage due to densification is 3% by volume. Thermodynamic considerations suggest that the relative molar partial volume of Y{sup 3+} in MgO is a negative quantity, indicating that the partial molar volume of Y{sup 3+} in the solid solution is smaller than its molar volume in the pure state. Aging of the nanocomposites for 240 h does not change the observed 4 phase co-existence. We propose a crystallographic model in which the observed volumetric expansion of the MgO unit cell is primarily attributed to two hydrostatic expansive strain components accompanying solid solution formation: (i) Coulomb repulsion among O{sup 2-} ions in the immediate vicinity of Mg{sup 2+} vacancies, and (ii) misfit strain due to differences in ionic radii upon Y{sup 3+} substitution on Mg{sup 2+} sites.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Effect of Cr{sub 2}O{sub 3} on solubility and thermo-physical properties of BaO-CaO-Al{sub 2}O{sub 3}-B{sub 2}O{sub 3}-SiO{sub 2} g

BaO-CaO-Al{sub 2}O{sub 3}-(10-x)B{sub 2}O{sub 3}-xCr{sub 2}O{sub 3} SiO{sub 2} (BCABS), where 1.0 {<=}x {<=} 3.5, (mol%) glasses were prepared by melt-quench technique. Glass samples were characterized for density, microhardness, thermal expansion coefficient and glass transition temperature. Scanning electron microscopy was used to see the homogeneity/solubility of Cr2O3 in this glass system. UV-VIS absorption measurements were carried out to see the Cr speciation in the glass samples. Density values were found to vary from 3.97 to 3.92 g/cc and microhardness values varied from 283 to 503 kg/mm{sup 2}. Glass transition temperature increased from 635 to 671 deg. C while TEC value found to varies from 8.3 to 11.1x10{sup -6}/ deg. C(30-300) with Cr{sub 2}O{sub 3} content. SEM study revealed phase separation in these glasses. From absorption studies we infer the presence of small amount of Cr (VI) along with Cr(III) oxidation state.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Solubility of oxygen in CdS single crystals and their physicochemical properties

The specific features of oxygen dissolution in CdS using the example of single crystals grown by the gas-transport method with deviations from stoichiometry at 1100°C are considered. The effect of various types of intrinsic point defects in crystals of different composition on the form in the presence of oxygen is analyzed. It is shown that the most stable composition thermodynamically is that corresponding to nonstoichiometric “self-activated cadmium sulphide” stabilized with oxygen.

36 MATERIALS SCIENCE↗
DOE OSTI2011

LITERATURE REVIEW OF BORIC ACID SOLUBILITY DATA

A new solvent system is being evaluated for use in the Modular Caustic-Side Solvent Extraction Unit (MCU) and in the Salt Waste Processing Facility (SWPF). The new system replaces the current dilute nitric acid strip solution with 0.01 M boric acid. This literature study is performed to determine if there is a potential for boric acid to crystallize in the lines with emphasis on the transfer lines to the Defense Waste Processing Facility. This report focuses on the aqueous phase chemistry of boric acid under conditions relevant to MCU and SWPF. Operating and transfer conditions examined for the purpose of this review include temperatures between 13 C (McLeskey, 2008) and 45 C (Fondeur, 2007) and concentrations from 0 to 3M in nitric acid as well as exposure of small amounts of entrained boric acid in the organic phase to the sodium hydroxide caustic wash stream. Experiments were also conducted to observe any chemical reactions and off-gas generation that could occur when 0.01 M boric acid solution mixes with 3 M nitric acid solution and vice versa. Based on the low concentration (0.01M) of boric acid in the MCU/SWPF strip acid and the moderate operating temperatures (13 C to 45 C), it is unlikely that crystallization of boric acid will occur in the acid strip solution under process or transfer conditions. Mixing experiments of boric and nitric acid show no measurable gas generation (< 1 cc of gas per liter of solution) under similar process conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗