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Results for “Solubility”

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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Biochemical synthesis of water soluble conducting polymers

An efficient biomimetic route for the synthesis of conducting polymers/copolymers complexed with lignin sulfonate and sodium (polystyrenesulfonate) (SPS) will be presented. This polyelectrolyte assisted PEG-hematin or horseradish peroxidase catalyzed polymerization of pyrrole (PYR), 3,4 ethyldioxithiophene (EDOT) and aniline has provided a route to synthesize water-soluble conducting polymers/copolymers under acidic conditions. The UV-vis, FTIR, conductivity and cyclic voltammetry studies for the polymers/copolymer complex indicated the presence of a thermally stable and electroactive polymers. Moreover, the use of water-soluble templates, used as well as dopants, provided a unique combination of properties such as high electronic conductivity, and processability. These polymers/copolymers are nowadays tested/evaluated for antirust features on airplanes and helicopters. However, other electronic applications, such as photovoltaics, for transparent conductive polyaniline, actuators, for polypyrrole, and antistatic films, for polyEDOT, will be proposed.

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

Purification, crystallization and preliminary X-ray diffraction analysis of a soluble variant of the monoglyceride lipase Yju3p from the yeast Saccharomyces cerevisiae

A soluble variant of the monoglyceride lipase Yju3p was successfully expressed, purified and crystallized. Diffraction data were collected to 2.4 Å resolution. The protein Yju3p is the orthologue of monoglyceride lipases in the yeast Saccharomyces cerevisiae. A soluble variant of this lipase termed s-Yju3p (38.3 kDa) was generated and purified to homogeneity by affinity and size-exclusion chromatography. s-Yju3p was crystallized in a vapour-diffusion setup at 293 K and a complete data set was collected to 2.4 Å resolution. The crystal form was orthorhombic (space group P2{sub 1}2{sub 1}2{sub 1}), with unit-cell parameters a = 77.2, b = 108.6, c = 167.7 Å. The asymmetric unit contained four molecules with a solvent content of 46.4%.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Solubility behavior and thermodynamic modeling of sodium monosulfoaluminate (“U‐phase”) in cementitious systems

Abstract The “U‐phase,” a sodium‐containing (alumino‐ferrite‐monosubstituent) AFm phase, has been observed to form in sodium‐enriched highly alkaline cementitious systems, for example, of relevance to nuclear waste, and saline industrial brine management. But, minimal information is available of the U‐phase's (e.g., solubility or thermodynamic properties) due to its limited stability and its tendency to transform into ettringite or monosulfoaluminate. Herein, the U‐phase was systematically synthesized at four temperatures (5, 15, 25, and 50°C) and fully characterized in terms of its thermochemical properties. The average composition of the synthesized U‐phase (4CaO·Al 2 O 3 ·1.85SO 3 ·0.85Na 2 O·12H 2 O) deviates slightly from typical disclosures in the literature. The solubility product of the U‐phase formation was measured from conditions of oversaturation. The measured thermodynamic data accurately predicted experimental observations of U‐phase formation in cementitious environments. In general, it was noted that the U‐phase forms and persists (i.e., remains stable) at pH > 13.7 and [Na + ] concentrations superior to 1 mol/L.

Materials Science↗
DOE OSTI2020

Deletion of a Peptidylprolyl Isomerase Gene Results in the Inability of Caldicellulosiruptor bescii To Grow on Crystalline Cellulose without Affecting Protein Glycosylation or Growth on Soluble Substrates

Caldicellulosiruptor bescii secretes a large number of complementary multifunctional enzymes with unique activities for biomass deconstruction. The most abundant enzymes in the C. bescii secretome are found in a unique gene cluster containing a glycosyl transferase (GT39) and a putative peptidyl prolyl cis-trans isomerase. Deletion of the glycosyl transferase in this cluster resulted in loss of detectable protein glycosylation in C. bescii, and its activity has been shown to be responsible for the glycosylation of the proline-threonine rich linkers found in many of the multifunctional cellulases. The presence of a putative peptidyl prolyl cis-trans isomerase within this gene cluster suggested that it might also play a role in cellulase modification. Here, we identify this gene as a putative prsA prolyl cis-trans isomerase. Deletion of prsA2 leads to the inability of C. bescii to grow on insoluble substrates such as Avicel, the model cellulose substrate, while exhibiting no differences in phenotype with the wild-type strain on soluble substrates. Finally, we provide evidence that the prsA2 gene is likely needed to increase solubility of multifunctional cellulases and that this unique gene cluster was likely acquired by members of the Caldicellulosiruptor genus with a group of genes to optimize the production and activity of multifunctional cellulases.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2014

An Inexpensive Aqueous Flow Battery for Large-Scale Electrical Energy Storage Based on Water-Soluble Organic Redox Couples

We introduce a novel Organic Redox Flow Battery (ORBAT), for Meeting the demanding requirements of cost, eco-friendliness, and durability for large-scale energy storage. ORBAT employs two different water-soluble organic redox couples on the positive and negative side of a flow battery. Redox couples such as quinones are particularly attractive for this application. No precious metal catalyst is needed because of the fast proton-coupled electron transfer processes. Furthermore, in acid media, the quinones exhibit good chemical stability. These properties render quinone-based redox couples very attractive for high-efficiency metal-free rechargeable batteries. We demonstrate the rechargeability of ORBAT with anthraquinone-2-sulfonic acid or anthraquinone-2,6-disulfonic acid on the negative side, and 1,2-dihydrobenzoquinone- 3,5-disulfonic acid on the positive side. The ORBAT cell uses a membrane-electrode assembly configuration similar to that used in polymer electrolyte fuel cells. Such a battery can be charged and discharged multiple times at high faradaic efficiency without any noticeable degradation of performance. We show that solubility and mass transport properties of the reactants and products are paramount to achieving high current densities and high efficiency. The ORBAT configuration presents a unique opportunity for developing an inexpensive and sustainable metal-free rechargeable battery for large-scale electrical energy storage. (C) The Author(s) 2014. Published by ECS. This is an open access article distributed under the terms of the Creative Commons Attribution 4.0 License (CC BY, http://creativecommons.orgilicenses/by/4.0/), which permits unrestricted reuse of the work in any medium, provided the original work is properly cited. All rights reserved.

Yang, B↗
DOE OSTI2024

Rapid measurement of soluble xylo-oligomers using near-infrared spectroscopy (NIRS) and multivariate statistics: calibration model development and practical approaches to model optimization

Rapid monitoring of biomass conversion processes using techniques such as near-infrared (NIR) spectroscopy can be substantially quicker and less labor-, resource-, and energy-intensive than conventional measurement techniques such as gas or liquid chromatography (GC or LC) due to the lack of solvents and preparation methods, as well as removing the need to transfer samples to an external lab for analytical evaluation. The purpose of this study was to determine the feasibility of rapid monitoring of a biomass conversion process using NIR spectroscopy combined with multivariate statistical modeling, and to examine the impact of (1) subsetting the samples in the original dataset by process location and (2) reducing the spectral range used in the calibration model on model performance. We develop multivariate calibration models for the concentrations of soluble xylo-oligosaccharides (XOS), monomeric xylose, and total solids at multiple points in a biomass conversion process which produces and then purifies XOS compounds from sugar cane bagasse. A single model using samples from multiple locations in the process stream showed acceptable performance as measured by standard statistical measures. However, compared to the single model, we show that separate models built by segregating the calibration samples according to process location show improved performance. We also show that combining an understanding of the sample spectra with simple multivariate analysis tools can result in a calibration model with a substantially smaller spectral range that provides essentially equal performance to the full-range model. We demonstrate that real-time monitoring of soluble xylo-oligosaccharides (XOS), monomeric xylose, and total solids concentration at multiple points in a process stream using NIR spectroscopy coupled with multivariate statistics is feasible. Segregation of sample populations by process location improves model performance. Models using a reduced spectral range containing the most relevant spectral signatures show very similar performance to the full-range model, reinforcing the importance of performing robust exploratory data analysis before beginning multivariate modeling.

09 BIOMASS FUELS↗
DOE OSTI2016

Effect of irradiation on terminal solid solubility of hydrogen in Zr-2.5Nb - 2016-0044

Knowledge of the temperature dependence of hydrogen solubility is used to define the conditions necessary for brittle hydrides to be present in reactor components during service. The terminal solid solubility (TSS) of hydrogen is affected by several factors, including irradiation, cold work, and decomposition of the β phase in Zr-2.5Nb. TSS temperatures for specimens irradiated in Osiris, Halden, and CANDU{sup R} reactors are reported. TSS was measured on Zr-2.5Nb specimens using differential scanning calorimetry (DSC) to complete four heatup/cool-down cycles (heat to a peak temperature and cool to room temperature at a rate of 10 deg. C/min) followed by a 1-h anneal at 500 deg. C, and then four more heat-up/cool-down cycles. As with Zircaloy, irradiation slightly decreases the TSS temperatures, but subsequent annealing increases them. These changes are attributed to an initial effect of irradiation damage and reconstitution of the β phase and reversal of these effects by annealing, as indicated by X-ray diffraction data showing reduced dislocation density and higher β-phase volume fraction after the specimens were annealed. (authors)

36 MATERIALS SCIENCE↗
DOE OSTI2020

Experimental determination of the solubility constant of kurnakovite, MgB3O3(OH)5·5H2O

In this study, I present experimental results on the equilibrium between boracite [Mg 3 B 7 O 13 C1(cr)] and kurnakovite [chemical formula, Mg 2 B 6 O 11 ·15H 2 O(cr); structural formula, MgB 3 O 3 (OH) 5 ·5H 2 O(cr)] at 22.5 ± 0.5 °C from a long-term experiment up to 1629 days, approaching equilibrium from the direction of supersaturation, Mg 3 B 7 O 13 C1(cr) + H + + 2B(OH)$^-_4$ + 18H 2 O(1) ⇌ 3MgB 3 O 3 (OH) 5 ·5H 2 O(cr) + C1 - . Based on solubility measurements, the 10-based logarithm of the equilibrium constant for the above reaction at 25 °C is determined to be 12.83 ± 0.08 (2σ). Based on the equilibrium constant for dissolution of boracite, Mg 3 B 7 O 13 C1(cr) + 15H 2 O(1) = 3Mg 2+ + 7B(OH)$^-_4$ + C1 - + 2H + at 25 °C measured previously (Xiong et al. 2018) and that for the reaction between boracite and kurnakovite determined here, the equilibrium constant for dissolution of kurnakovite, MgB 3 O 3 (OH) 5 ·5H 2 O(cr) = Mg 2+ + 3B(OH)$^-_4$ + H + + H 2 O(1) is derived as -14.11 ± 0.40 (2σ). Using the equilibrium constant for dissolution of kurnakovite obtained in this study and the experimental enthalpy of formation for kurnakovite from the literature, a set of thermodynamic properties for kurnakovite at 25 °C and 1 bar is recommended as follows: Δ H $^0_f$ = -4813.24 ± 4.92 kJ/mol, Δ G$^0_f$ = -4232.0 ± 2.3 kJ/mol, and S 0 = 414.3 ± 0.9 J/(mol·K). Among them, the Gibbs energy of formation is based on the equilibrium constant for kurnakovite determined in this study; the enthalpy of formation is from the literature (Li et al. 1997), and the standard entropy is calculated internally with the Gibbs-Helmholtz equation in this work. The thermodynamic properties of kurnakovite estimated using the group contribution method for borate minerals based on the sums of contributions from the cations, borate polyanions, and structural water to the thermodynamic properties from the literature (Li et al. 2000) are consistent, within their uncertainties, with the values listed above. Since kurnakovite usually forms in salt lakes rich in sulfate, studying the interactions of borate with sulfate is important to modeling kurnakovite in salt lakes. Finally, for this purpose, I have re-calibrated our previous model (Xiong et al. 2013) describing the interactions of borate with sulfate based on the new solubility data for borax in Na 2 SO 4 solutions presented here.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Identification and Characterization of Soluble Factors Involved in Delayed Effects of Low Dose Radiation (Final Report)

This is a 'glue grant' that was part of a DOE Low Dose project entitled 'Identification and Characterization of Soluble Factors Involved in Delayed Effects of Low Dose Radiation'. This collaborative program has involved Drs. David L. Springer from Pacific Northwest National Laboratory (PNNL), John H. Miller from Washington State University, Tri-cities (WSU) and William F. Morgan then from the University of Maryland, Baltimore (UMB). In July 2008, Dr. Morgan moved to PNNL and Dr. Janet E. Baulch became PI for this project at University of Maryland. In November of 2008, a one year extension with no new funds was requested to complete the proteomic analyses. The project stemmed from studies in the Morgan laboratory demonstrating that genomically unstable cells secret a soluble factor or factors into the culture medium, that cause cytogenetic aberrations and apoptosis in normal parental GM10115 cells. The purpose of this project was to identify the death inducing effect (DIE) factor or factors, estimate their relative abundance, identify the cell signaling pathways involved and finally recapitulate DIE in normal cells by exogenous manipulation of putative DIE factors in culture medium. As reported in detail in the previous progress report, analysis of culture medium from the parental cell line, and stable and unstable clones demonstrated inconsistent proteomic profiles as relate to candidate DIE factors. While the proposed proteomic analyses did not provide information that would allow DIE factors to be identified, the analyses provided another important set of observations. Proteomic analysis suggested that proteins associated with the cellular response to oxidative stress and mitochondrial function were elevated in the medium from unstable clones in a manner consistent with mitochondrial dysfunction. These findings correlate with previous studies of these clones that demonstrated functional differences between the mitochondria of stable and unstable clones. These mitochondrial abnormalities in the unstable clones contributes to oxidative stress.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2014

Protocol for Identifying the Presence of and Understanding the Nature of Soluble, Non-pertechnetate Technetium in Hanford Tank Supernatants

The objective of this report is to propose a method to evaluate the presence and extent of soluble, non-pertechnetate Tc in Hanford tank supernatants as well as methods that might be used to gain insight as to the nature of the specie(s) that make up this fraction. This study will then provide a recommendation as to the preferred approach for identifying and quantifying the presence of Hanford tank supernatant-soluble, non-pertechnetate, technetium. The recommendation will also describe an approach to address the issue of whether inductively coupled plasma mass spectrometry (ICP-MS) analysis, which is useful as a monitoring tool for Tc, may be confounded by the presence of other mass 99 species.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Validation Testing for Automated Solubility Measurement Equipment Final Report

Laboratory tests have been completed to test the validity of automated solubility measurement equipment using sodium nitrate and sodium chloride solutions (see test plan WRPS-1404441, “Validation Testing for Automated Solubility Measurement Equipment”). The sodium nitrate solution results were within 2-3% of the reference values, so the experiment is considered successful using the turbidity meter. The sodium chloride test was done by sight, as the turbidity meter did not work well using sodium chloride. For example, the “clear” turbidity reading was 53 FNU at 80 °C, 107 FNU at 55 °C, and 151 FNU at 20 °C. The sodium chloride did not work because it is granular and large; as the solution was stirred, the granules stayed to the outside of the reactor and just above the stir bar level, having little impact on the turbidity meter readings as the meter was aimed at the center of the solution. Also, the turbidity meter depth has an impact. The salt tends to remain near the stir bar level. If the meter is deeper in the slurry, it will read higher turbidity, and if the meter is raised higher in the slurry, it will read lower turbidity (possibly near zero) because it reads the “clear” part of the slurry. The sodium chloride solution results, as measured by sight rather than by turbidity instrument readings, were within 5-6% of the reference values.

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

Fundamental Studies of Tritium Solubility and Diffusivity in LiAlO 2 and Lithium Zirconates Pellets Used in TPBAR

Using atomistic level calculations, in this study, we propose to investigate the solubility and diffusivity properties of hydrogen isotopes in the blanket candidate materials (e.g. Li 2 O, LiAlO 2 , Li 2 ZrO 3 , Li 6 Zr 2 O 7 , Li 8 ZrO 6 , Li 4 SiO 4 , etc.) for TPBARs to enable tritium production in PWRs and to improve the performances of these components. With the knowledge of $3\atop{1}$T transport, the potential impact of the candidate performance mechanisms of the pellet materials can be evaluated computationally. Using results from our previously performed research on the electronic and thermodynamic properties of these ceramic materials, we will study the $3\atop{1}$T diffusivity and solubility in the abovementioned lithium ceramic materials. Lithium zirconates are stable at very high temperatures and have high densities and ion conductivities. These materials can also be used as pellets which may result in a better overall performance in TPBAR. Lithium zirconates contain lithium-rich phases, such as Li 6 Zr 2 O 7 , Li 8 ZrO 6 , which may result in a high 6 Li density to minimize the 6 Li enrichment. The focus of current research is to identify the mechanisms associated with atomic $3\atop{1}$T formation, diffusion, transport, deposition, and the kinetics at high temperature. For these purposes, we will employ first-principles density functional theory (DFT) and molecular dynamics (MD) simulations to perform our investigations.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2018

K-3 Refractory Corrosion and Sulfate Solubility Model Enhancement (Final Report)

As higher waste loading LAW glasses are formulated, sulfate solubility and K-3 refractory corrosion are two properties that become increasingly constraining; however, WTP baseline models were not developed for these properties. In previous work for ORP, VSL/Atkins developed preliminary glass property-composition models that relate LAW glass composition to these two essential properties to support the implementation of the higher waste loading LAW glass formulations at the WTP. The development of the initial LAW glass property-composition models for K-3 refractory corrosion and sulfate solubility was completed in 2015. The present work scope focused on enhancement of these models and included augmentation of property-composition datasets for these two properties with newly available data, review of the updated datasets, and development of enhanced models.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Selection of Glasses in Support of the Sludge Batch 9 Sulfate Solubility Limit for Coupled Operation with the Salt Waste Processing Facility

For Sludge Batches 3 through 8, the sulfate (SO 4 2- )solubility limit for the Defense Waste Processing Facility (DWPF) has been determined by laboratory-scale crucible testing. In preparation for Sludge Batch 9 (SB9) processing, a comparison demonstrated that minor compositional differences existed between the Sludge Batch 8 (SB8)-Frit 803 and SB9-Frit 803 glass composition regions for sludge-only and coupled operations with the Actinide Removal Process (ARP) and Modular Caustic Side Solvent Extraction Unit (MCU). Thus, no experimental testing was necessary and the SB8 SO 4 2- limit of 0.65 wt.% was recommended for SB9 processing. This previous SB9 assessment did not address coupled processing with streams from the Salt Waste Processing Facility (SWPF), which is anticipated to start operations in November 2019. These high activity streams will include monosodium titanate (MST) and sludge solids from the Sludge Solids Receipt Tank (SSRT) as well as Cs-containing strip effluent (SE). The incorporation of these SWPF streams is expected to reach TiO 2 concentrations in glass greater than 2 wt.% based on single and double MST strike scenarios. In support of coupled operation with SWPF, the DWPF Product Composition Control System was revised and allows a TiO 2 concentration of up to 6 wt.% (minus measurement uncertainty) in glass. For the SB8-Frit 803 SO 4 2- solubility study, the maximum TiO 2 concentration evaluated was 0.94 wt.%. Since the influence of increased TiO 2 on the retention of SO 4 2- in the SB9 glass region is unknown, a test matrix of ten glass compositions has been proposed to determine whether the 0.65 wt.% SO 4 2- limit is still appropriate for SB9 coupled operation with SWPF. This report documents the development of a test matrix that will support this study.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Neptunium (V) Solubility in the Presence and Absence of WIPP Relevant Ligands

CRA (Compliance Recertification Application)-2024 will update the oxidation state specific model used to calculate actinide solubility in the WIPP (Waste Isolation Pilot Plant). The pentavalent Np(V) ion is the most stable ion in solution within the An(V) series. This valence stability of Np(V) in aqueous solution makes Np a useful representative element for studying the aqueous complex chemistry of all An(V), but in the predicted WIPP scenario, this is the only TRU component that increases in the inventory with time as it is the main daughter product of 241 Am decay (alpha, n) so its relative importance increases throughout the 10,000-year performance period of the WIPP, it is only used to represent itself. This work is focused on confirming organic, borate and carbonate effects on solubility of Np(V) in WIPP simulated brines and 5 M NaCl and reassessing the predicted model speciation to strengthen the overall WIPP An(V) model.

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

First-principles free energies by hybrid thermodynamic integration for phase equilibria and fission product solubility in molten salts

The overarching goal of this research project is quantitative microscopic modeling of phase diagrams and solubility of actinides and lanthanide-fission products in molten salts for molten salt reactors. Application of molten salts as coolants and liquid fuels for next-generation reactors requires quantitative understanding of phase diagrams, equations of state and transport properties of binary and ternary molten salt mixtures, as well as solubility of fuel, fission products and reactor-wall corrosion products, but these remain beyond the reach of current first-principles computational techniques. We will address this fundamental capability gap using a novel hybrid framework for thermodynamic integration to directly predict absolute free energies of solid and molten salts at any specified conditions of composition, temperature and pressure. This framework will combine a hierarchy of first-principles, molecular dynamics and continuum techniques to deliver first-principles-level accuracy at a fraction of the computational cost of conventional ab initio molecular dynamics approaches. In particular, this technique is expected to provide first-principles accuracy, while off-loading most of the computational work on much less expensive classical molecular dynamics and continuum techniques.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Understanding the solubility of metal salts and supporting electrolytes in Deep Eutectic Solvents [Slides]

Our objective is to determine how alterations in these parameters affect solubility in order to identify the optimal conditions for Zirconium electrodeposition. Create a variety of Deep Eutectic Solvents by combining different combinations and molar ratios of both hydrogen bond donors and hydrogen bond acceptors. Investigate the solubility of different Zirconium metal sources and supporting electrolytes individually, as well as in combination of both. Analyze various parameter conditions including temperature, pH, and conductivity. Determine the optimal composition and parameter setup for Zirconium electrodeposition. Obtain Zirconium coating through various methods and parameter adjustments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗