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At least 361 records · Page 20

Evaluation of a Sulfate Solubility Limit Greater Than 0.65 Weight Percent in Sludge Batch 10 Glasses

Previous laboratory-scale crucible testing with batch chemicals confirmed that the sulfate (SO 4 2- ) limit for Sludge Batch 10 (SB10) was 0.65 weight percent (wt.%) in glass. This limit signifies that 0.65 wt.% SO 4 2- can be retained in the glass without the formation of a sulfate phase. The Defense Waste Processing Facility imposes this constraint in the Material Tracking Program. Based on preliminary calculations to support the Material Tracking Program, it was anticipated that transfer volumes of the monosodium titanate/sludge solids (MST/SS) stream from the Salt Waste Processing Facility (SWPF) may need to be reduced to maintain projected sulfate concentrations below 0.65 wt.% in glass. Savannah River Mission Completion requested that the Savannah River National Laboratory perform additional sulfate testing to determine whether a sulfate solubility limit greater than 0.65 wt.% is feasible for SB10, which could allow for higher transfer volumes of the MST/SS stream. This report documents the results of the testing at higher sulfate concentrations for the glass composition region defined by the most recent SB10 projection (November 2022) and Frits 473 and 625. Frit 473 was recommended for SB10 and Frit 625 was used during SB9 processing and the SB9 to SB10 transition. A total of twenty-one glass compositions were developed based on the expected compositional variables, which include sludge-only (SO) and coupled processing with the SWPF, waste loading (WL), and frit composition. The target sulfate concentrations were varied from 0.65-0.85 wt.% at 32 and 40% WL. Each glass was prepared from reagent grade chemicals and melted at 1150 °C. Visual observations were used to confirm the presence of a sulfate salt phase on the cooled glass surfaces. Representative samples of each glass were submitted for chemical composition analysis by inductively coupled plasma-optical emission spectroscopy and Cs analysis by inductively coupled plasma-mass spectrometry. Overall the majority of mean measured values are consistent with the target values for each major oxide of interest with less than 5% error. The percent errors for the measured SO 4 2- concentrations are generally less than 10%, which is comparable with previous sulfate solubility study measurements and acceptable. Only the SO glasses based on Frit 625 formed a sulfate phase at a 0.80 wt.% SO 4 2- target concentration at both 32 and 40% WL. The remainder of the glasses did not form a sulfate layer. Due to the formation of the sulfate phase, the limit is conservatively set at 0.70 wt.% based on the measured sulfate concentrations of 0.71 wt.% and 0.75 wt.% for these two glasses. None of the SO or coupled operation glasses based on Frit 473 formed a sulfate salt phase, which supports a sulfate limit of 0.80 wt.%. The following SO 4 2- concentration limits are recommended during SO and coupled SB10 processing: (1) 0.70 wt.% during processing with Frit 625, and (2) 0.80 wt.% during processing with Frit 473.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Solubility Product of Vanadinite Pb 5 (VO 4 ) 3 Cl at 25 °C—A Comprehensive Approach to Incongruent Dissolution Modeling

Although vanadinite (Pb 5 (VO 4 ) 3 Cl occurs in abundance in various terrestrial geochemical systems of natural and anthropogenic origin and is seriously considered as a potential nuclear waste sequestering agent, its actual application is severely limited by a lack of understanding of its basic thermodynamic parameters. In this regard, the greatest challenge is posed by its incongruent dissolution, which is a pivotal hurdle for effective geochemical modeling. Our paper presents an universal approach for geochemical computing of systems undergoing incongruent dissolution which, along with unique, long-term experiments on vanadinites’ stability, allowed us to determine the mineral solubility constant. The dissolution experiments were carried out at pH = 3.5 for 12 years. Vanadinite has dissolved incongruently, continuously re-precipitating into chervetite (Pb 2 V 2 O 7 ) with the two minerals remaining in mutual equilibrium until termination of the experiments. The empirically derived solubility constant K sp,V,298 = 10 –91.89 ± 0.05 of vanadinite was determined for the first time. The proposed modeling method is versatile and can be adopted to other mineral systems undergoing incongruent dissolution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Solubility studies in alkali metals

Solubility parameters for niobium and zirconium in lithium and potassium, and calcium solubility in eutectic sodium potassium alloy

SOLUBILITY↗

Solubility and cation exchange in phosphate rock and saturated clinoptilolite mixtures

Mixtures of zeolite and phosphate rock (PR) have the potential to provide slow-release fertilization of plants in synthetic soils by dissolution and ion-exchange reactions. This study was conducted to examine solubility and cation-exchange relationships in mixtures of PR and NH4- and K-saturated clinoptilolite (Cp). Batch-equilibration experiments were designed to investigate the effect of PR source, the proportion of exchangeable K and NH4, and the Cp to PR ratio on solution N, P, K, and Ca concentrations. The dissolution and cation-exchange reactions that occurred after mixing NH4- and K-saturated Cp with PR increased the solubility of the PR and simultaneously released NH4 and K into solution. The more reactive North Carolina (NC) PR rendered higher solution concentrations of NH4 and K when mixed with Cp than did Tennessee (TN) PR. Solution P concentrations for the Cp-NC PR mixture and the Cp-TN PR mixture were similar. Solution concentrations of N, P, K, and Ca and the ratios of these nutrients in solution varied predictably with the type of PR, the Cp/PR ratio, and the proportions of exchangeable K and NH4 on the Cp. Our research indicated that slow-release fertilization using Cp/PR media may provide adequate levels of N, P, and K to support plant growth. Solution Ca concentrations were lower than optimum for plant growth.

NASA Discipline Number 61-10↗

Permeation of halide anions through phospholipid bilayers occurs by the solubility-diffusion mechanism

Two alternative mechanisms are frequently used to describe ionic permeation of lipid bilayers. In the first, ions partition into the hydrophobic phase and then diffuse across (the solubility-diffusion mechanism). The second mechanism assumes that ions traverse the bilayer through transient hydrophilic defects caused by thermal fluctuations (the pore mechanism). The theoretical predictions made by both models were tested for halide anions by measuring the permeability coefficients for chloride, bromide, and iodide as a function of bilayer thickness, ionic radius, and sign of charge. To vary the bilayer thickness systematically, liposomes were prepared from monounsaturated phosphatidylcholines (PC) with chain lengths between 16 and 24 carbon atoms. The fluorescent dye MQAE (N-(ethoxycarbonylmethyl)-6-methoxyquinolinium bromide) served as an indicator for halide concentration inside the liposomes and was used to follow the kinetics of halide flux across the bilayer membranes. The observed permeability coefficients ranged from 10(-9) to 10(-7) cm/s and increased as the bilayer thickness was reduced. Bromide was found to permeate approximately six times faster than chloride through bilayers of identical thickness, and iodide permeated three to four times faster than bromide. The dependence of the halide permeability coefficients on bilayer thickness and on ionic size were consistent with permeation of hydrated ions by a solubility-diffusion mechanism rather than through transient pores. Halide permeation therefore differs from that of a monovalent cation such as potassium, which has been accounted for by a combination of the two mechanisms depending on bilayer thickness.

NASA Discipline Exobiology↗

Amyotrophic lateral sclerosis: increased solubility of skin collagen

We studied the solubility of skin collagen from six patients with amyotrophic lateral sclerosis (ALS) and six controls. The amount of collagen extracted with neutral salt solution was significantly greater in patients with ALS than in controls. In addition, there was a statistically significant increase in the proportion of collagen extracted from ALS patients with increased duration of illness. The collagen solubilized by pepsin and cyanogen bromide treatments was significantly higher in ALS patients than in controls, and its proportion was positively and significantly associated with duration of illness in ALS patients. These results indicate that the metabolism of skin collagen may be affected in the disease process of ALS, causing an increase in immature soluble collagen in the tissue, which is the opposite to that which occurs in the normal aging process.

NASA Discipline Musculoskeletal↗

LaVo4: Eu Phosphor Films with Enhanced Eu Solubility

Eu doped rare-earth orthovanadates are known to be good red phosphor materials. In particular, LaVO{sub 4}:Eu is a promising candidate due to the low Eu-site point symmetry, and thus high dipole transition probability within Judd-Ofelt theory. However, the low solubility limit (< 3 mol %) of Eu in LaVO{sub 4} prevents its efficient use as a phosphor. We present optical evidence of enhanced Eu solubility as high as 10 mol % in LaVO{sub 4}:Eu thin films grown by pulsed laser deposition and postannealing. The photoluminescent intensity exceeded that of YVO{sub 4}:Eu thin films when excited below the host bandgap, indicating stronger direct emission of Eu in LaVO{sub 4}.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Processing solubility enhancement and Nanoparticles dispersion enhanced Performance Materials through thermomagnetic processing

This research demonstrates that significantly enhanced materials microstructures and improved performance can be achieved by coupling two previously independent materials research concepts, namely, the thermo-magnetic processing (T-MP)1 and the electromagnetic acoustic transducer (EMAT)2 technologies. In prior, separate NHMFL research endeavors, ORNL researchers have demonstrated that: (1) thermo-magnetic processing (T-MP) can significantly enhance Ni solubility in Fe by up to 30%; and (2) using the electromagnetic acoustic transducer (EMAT) technology can significantly improve cast product homogeneity. Based on these earlier successful results, we proposed simultaneously coupling these two R&D approaches/eff ects (i.e., T-MP with EMAT), in order to simultaneously achieve: (1) enhanced elemental solid-solubility in Mg and in at least one Fe-based alloy; and (2) uniform dispersion of intentional additions of inert nanoparticles in Mg. Developing homogeneous dispersions of inert nanoparticles is and has been pursued as one of the holy grails for achieving unprecedented materials performance and highly desired mechanical properties, e.g., in creep and oxidation resistant alloys. Successfully coupling these two technologies would provide the ability to create uniquely controlled nano-scale microstructures that currently are unachievable by any other materials processing technologies.

36 MATERIALS SCIENCE↗

Thermophysical Properties of Lithium Bromide + 1, 2-Propanediol Aqueous Solutions Solubility, Density and Viscosity

The solubilities, densities and viscosities of lithium bromide (LiBr) + 1, 2-propanediol (HO-CH2-CHOH-CH3) aqueous solution (mass ratio of LiBr/HO-CH2-CHOH-CH3 = 3.5, 4.5 and 5.5) were measured in the mass fraction range from 0.30 to 0.75. Solubility measurements were performed by the visual method in the temperature range of (271.15 to 345.15) K. The density measurements were made using an automated vibrating tube density meter, and the viscosity measurements were carried out with an automated falling-ball viscometer in the temperature range of (293.15 to 363.15) K. The density and viscosity data were correlated with appropriate regression equations as a function of the mass fraction and temperature. The maximum average absolute deviations (AAD) between experimental and correlated data were 0.08% and 1.51% for densities and viscosities, respectively.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Actinide Solubility and Speciation in the WIPP [PowerPoint]

The presentation begins with the role and need for nuclear repositories (overall concept, international updates (Sweden, Finland, France, China), US approach and current status), then moves on to the WIPP TRU repository concept (design, current status--safety incidents of February 5 and 14, 2014, path forward), and finally considers the WIPP safety case: dissolved actinide concentrations (overall approach, oxidation state distribution and redox control, solubility of actinides, colloidal contribution and microbial effects). The following conclusions are set forth: (1) International programs are moving forward, but at a very slow and somewhat sporadic pace. (2) In the United States, the Salt repository concept, from the perspective of the long-term safety case, remains a viable option for nuclear waste management despite the current operational issues/concerns. (3) Current model/PA prediction (WIPP example) are built on redundant conservatisms. These conservatisms are being addressed in the ongoing and future research to fill existing data gaps--redox control of plutonium by Fe(0, II), thorium (analog) solubility studies in simulated brine, contribution of intrinsic and biocolloids to the mobile concentration, and clarification of microbial ecology and effects.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Reactions Between Water Soluble Organic Acids and Nitrates in Atmospheric Aerosols: Recycling of Nitric Acid and Formation of Organic Salts

Atmospheric particles often include a complex mixture of nitrate and secondary organic materials accumulated within the same individual particles. Nitrate as an important inorganic component can be chemically formed in the atmosphere. For instance, formation of sodium nitrate (NaNO3) and calcium nitrate Ca(NO3)2 when nitrogen oxide and nitric acid (HNO3) species react with sea salt and calcite, respectively. Organic acids contribute a significant fraction of photochemically formed secondary organics that can condense on the preexisting nitrate-containing particles. Here, we present a systematic microanalysis study on chemical composition of laboratory generated particles composed of water soluble organic acids and nitrates (i.e. NaNO3 and Ca(NO3)2) investigated using computer controlled scanning electron microscopy with energy dispersive analysis of X-rays (CCSEM/EDX) and Fourier transform infrared micro-spectroscopy (micro-FTIR). The results show that water-soluble organic acids can react with nitrates releasing gaseous HNO3 during dehydration process. These reactions are attributed to acid displacement of nitrate with weak organic acids driven by the evaporation of HNO3 into gas phase due to its relatively high volatility. The reactions result in significant nitrate depletion and formation of organic salts in mixed organic acids/nitrate particles that in turn may affect their physical and chemical properties relevant to atmospheric environment and climate. Airborne nitrate concentrations are estimated by thermodynamic calculations corresponding to various nitrate depletions in selected organic acids of atmospheric relevance. The results indicate a potential mechanism of HNO3 recycling, which may further affect concentrations of gas- and aerosol-phase species in the atmosphere and the heterogeneous reaction chemistry between them.

Aerosols↗

A Highly Soluble Iron–Based Posolyte Species with High Redox Potential for Aqueous Redox Flow Batteries

A novel iron-based posolyte redox species are presented for an aqueous redox flow battery, (Tetrakis(2-pyridylmethyl)ethylenediamine)iron(II) dichloride, which is obtained by a simple synthetic route, shows a high redox potential of 0.788 V versus SHE, and exhibits exceptional aqueous solubility of 1.46 M. Paired with bis(3-trimethylammonio)propyl viologen tetrachloride at neutral pH, the battery demonstrates an open-circuit voltage of 1.19 V and delivers good cycling performance, with a capacity fade rate of 0.28% per day and coulombic efficiency of 99.3%. Postmortem chemical and electrochemical analyses of the posolyte species suggest future routes for stabilization of the complex. Among all the iron complexes with a redox potential above 0.4 V versus SHE, this compound exhibits the highest solubility. Furthermore, these results offer valuable insights that can be applied to the development of future posolyte species for sustainable energy storage solutions.

25 ENERGY STORAGE↗

Analysis of equilibrium CO 2 solubility and thermodynamic models for aqueous 1‐(2‐hydoxyethyl)‐piperidine solution

Abstract 1‐(2‐Hydoxyethyl)‐piperidine (1‐(2HE)‐PP) is a new tertiary amine with desirable properties and can be potentially used to formulate superior absorbents for CO 2 capture. The equilibrium CO 2 solubility of 1‐(2HE)‐PP solution is measured over temperatures from 298 to 333 K, CO 2 partial pressures from 8.1 to 101.3 kPa and initial amine concentrations from 1 to 5 M. Two thermodynamic models, namely semiempirical model and activity coefficient model are developed for the system. The activity coefficient model shows better estimation solubility with an absolute average relative deviation (AARD) of 7.6%. In the comparison between the two models, a comprehensive analysis is presented. Some suggestions are provided for the similar model development. In addition, the speciation plot of CO 2 loaded 1‐(2HE)‐PP solution is predicted based on the activity coefficient model. The predictive pH values agree well with experimental data with AARD of 1.0%. Finally, the potential of 1‐(2‐HE)PP to be an alternative amine in CO 2 capture is evaluated.

Xiao, Min↗

Soluble Iron Enhances Extracellular Electron Uptake by Shewanella oneidensis MR‐1

Abstract Extracellular electron transfer (EET) is a process that microorganisms use to reduce or oxidize external insoluble electron acceptors or donors. Much of our mechanistic understanding of this process is derived from studies of transmembrane cytochrome complexes and extracellular redox shuttles that mediate outward EET to anodes and external electron acceptors. In contrast, there are knowledge gaps concerning the reverse process of inward EET from external electron donors to cells. Here, we describe a role for soluble iron (exogenous FeCl 2 ) in enhancing EET from cathodes to the model EET bacterium Shewanella oneidensis MR‐1, with fumarate serving as the intracellular electron acceptor. This iron concentration‐dependent electron uptake was eradicated upon addition of an iron chelator and occurred only in the presence of fumarate reductase, confirming an electron pathway from cathodes to this periplasmic enzyme. Moreover, S. oneidensis mutants lacking specific outer membrane and periplasmic cytochromes exhibited significantly decreased current levels relative to wild‐type. These results indicate that soluble iron can function as an electron carrier to the EET machinery of S. oneidensis .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Sulfonate Group Improves the Solubility and Electrocatalytic Performance of Ru‐Based bda‐ and pda‐Type Water Oxidation Catalysts under Neutral Conditions

Four ruthenium water oxidation catalysts that bear carboxylate and sulfonate groups in the active site have been synthesized and analyzed for their catalytic activity. Here, the sulfonate‐containing catalysts show higher electrochemical activity in pH 7 phosphate buffer with 4 times larger catalytic current, improved durability with sacrificial oxidant, and increased solubility compared to similar species containing two carboxylate groups. Density functional theory calculations suggest that the sulfonate group provides a more favorable geometry for water nucleophilic attack, which is both the energetically most favorable mechanism calculated and the experimentally predicted mechanism under electrochemical conditions. Further experimental studies have been performed to show that under certain conditions catalysts can perform well electrochemically under pH conditions as low as 1.6 and that various structural components can greatly change solubility and catalytic operation.

14 SOLAR ENERGY↗

Crystal structure of a soluble form of human monoglyceride lipase in complex with an inhibitor at 1.35 Å resolution

A high-resolution structure of a ligand-bound, soluble form of human monoglyceride lipase (MGL) is presented. The structure highlights a novel conformation of the regulatory lid-domain present in the lipase family as well as the binding mode of a pharmaceutically relevant reversible inhibitor. Analysis of the structure lacking the inhibitor indicates that the closed conformation can accommodate the native substrate 2-arachidonoyl glycerol. A model is proposed in which MGL undergoes conformational and electrostatic changes during the catalytic cycle ultimately resulting in its dissociation from the membrane upon completion of the cycle. In addition, the study outlines a successful approach to transform membrane associated proteins, which tend to aggregate upon purification, into a monomeric and soluble form.

59 BASIC BIOLOGICAL SCIENCES↗

Influence of the Rheology Behavior of Water-Soluble Polyacrylamides and Their Efficiency of Flocculation

Organic polymers such as water-soluble polyacrylamides that are used as flocculants in solid–liquid separations, have their flocculation efficiency determined by the behavior of their macromolecules in solution. This behavior is affected by its intrinsic characteristics, especially the presence of ionic groups in its macromolecules. In this context, the present work aimed to characterize three water-soluble polyacrylamides. The effect of the intrinsic properties of each polymer on the behavior of the polymer chains in aqueous solution was compared in different environments. Beside this, the polymers behavior effect on the destabilization of particles was evaluated through kaolin particle aggregation studies. Viscosity results show that the conformation of the macromolecules in solution is altered according to the amount of ionized groups present. This variation, together with other factors such as the affinity with the kaolin particles and the excess of ions in solution, reflects in the flocculation efficiency of kaolin particles, in the flocs size and the flocs sedimentation rate. Graphic Abstract: .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗