WorldWideScience

Sample records for alkaline earth metals

  1. Alkaline earth metal catalysts for asymmetric reactions.

    Science.gov (United States)

    Kobayashi, Shū; Yamashita, Yasuhiro

    2011-01-18

    The group 2 alkaline earth metals calcium (Ca), strontium (Sr), and barium (Ba) are among the most common elements on Earth, abundant in both the sea and the Earth's crust. Although they are familiar in our daily lives, their application to organic synthesis has, so far, been limited. Some particularly useful properties of these elements include (i) low electronegativity, (ii) a stable oxidation state of +2, meaning that they can potentially form two covalent bonds with anions, and (iii) the ability to occupy a variety of coordination sites due to their large ionic radius. Furthermore, the alkaline earth metals, found between the group 1 and group 3 elements, show mild but significant Lewis acidity, which can be harnessed to control coordinative molecules via a Lewis acid-base interaction. Taken together, these characteristics make the metals Ca, Sr, and Ba very promising components of highly functionalized acid-base catalysts. In this Account, we describe the development of chiral alkaline earth metal catalysts for asymmetric carbon-carbon bond-forming reactions. Recently prepared chiral alkaline earth metal complexes have shown high diastereo- and enantioselectivities in fundamental and important chemical transformations. We chose chiral bisoxazoline (Box) derivatives bearing a methylene tether as a ligand for chiral modification. These molecules are very useful because they can covalently coordinate to alkaline earth metals in a bidentate fashion through deprotonation of the tether portion. It was found that chiral calcium-Box complexes could successfully promote catalytic asymmetric 1,4-addition and [3 + 2] cycloaddition reactions with high diastereo- and enantioselectivities. Both the calcium-Box complexes and chiral strontium-bis-sulfonamide and chiral barium-BINOLate complexes could catalyze asymmetric 1,4-addition reactions with high enantioselectivities. Furthermore, we designed a calcium-neutral coordinative ligand complex as a new type of chiral alkaline

  2. Alkaline and alkaline earth metal phosphate halides and phosphors

    Science.gov (United States)

    Lyons, Robert Joseph; Setlur, Anant Achyut; Cleaver, Robert John

    2012-11-13

    Compounds, phosphor materials and apparatus related to nacaphite family of materials are presented. Potassium and rubidium based nacaphite family compounds and phosphors designed by doping divalent rare earth elements in the sites of alkaline earth metals in the nacaphite material families are descried. An apparatus comprising the phosphors based on the nacaphite family materials are presented herein. The compounds presented is of formula A.sub.2B.sub.1-yR.sub.yPO.sub.4X where the elements A, B, R, X and suffix y are defined such that A is potassium, rubidium, or a combination of potassium and rubidium and B is calcium, strontium, barium, or a combination of any of calcium, strontium and barium. X is fluorine, chlorine, or a combination of fluorine and chlorine, R is europium, samarium, ytterbium, or a combination of any of europium, samarium, and ytterbium, and y ranges from 0 to about 0.1.

  3. Synthesis and infrared spectra of alkaline earth metal carbonates ...

    Indian Academy of Sciences (India)

    Unknown

    investigations deal with the synthesis and characteriza- tion of complexes of urea with transition metals (Penland et al 1957; Schafer and Curran 1966; Barbier and Hugel. 1974, 1977; Srivastava and Aravindakshan 1983). How- ever, studies on the nature of the reaction of urea with alkaline earth metals are very rare and ...

  4. Neutral alkaline-metal and alkaline-earth-metal derivatives of imidazole and benzimidazole.

    Science.gov (United States)

    Blanco, Fernando; Lloyd, David G; Alkorta, Ibon; Elguero, José

    2014-06-12

    A theoretical study of the minima and connecting transition states of the neutral complexes formed by alkaline-metal and alkaline-earth-metal derivatives of imidazolate and benzimidazolate anions has been carried out using B3LYP/6-31+G(d,p), B3LYP/6-311+G(3df,2p), and G3B3 methods. Two and three nondegenerated minima and two and four TS structures have been identified for imidazole and benzimidazole derivatives, respectively. The most stable minima of the alkaline-metal derivatives of both systems correspond to the metal interacting with the imidazole ring, whereas in the alkaline-earth-metal derivatives, the preferred minima depend on the substituent. A remarkable feature of some minima is the fact that some of the metal-aromatic interactions follow the classical π-cation pattern, even though the global structure corresponds to a neutral salt, constituting a class of noncovalent interaction of great interest in the chemistry of aromatic and heterocyclic complexes. A CSD search has confirmed that the two bonding modes, N-σ and π, are present in the solid phase. The π mode has been analyzed by comparison with other azoles.

  5. Structural variations in layered alkaline earth metal cyclohexyl ...

    Indian Academy of Sciences (India)

    Administrator

    because of the entrance of the guest molecules between the layers, there will be a change in the interlayer distance (Alberti 1978). Although M(IV) organo-phos- phonates are well documented, the chemistry of M(II) organophosphonates especially the alkaline earth metal organophosphonates has been explored marginally ...

  6. Alkaline-earth metal phenylphosphonates and their intercalation chemistry

    Czech Academy of Sciences Publication Activity Database

    Melánová, Klára; Beneš, L.; Svoboda, J.; Zima, Vítězslav; Pospíšil, M.; Kovář, P.

    2018-01-01

    Roč. 47, č. 9 (2018), s. 2867-2880 ISSN 1477-9226 R&D Projects: GA ČR(CZ) GA17-10639S Institutional support: RVO:61389013 Keywords : intercalation * layered compounds * alkaline-earth metal phenylphosphonates Subject RIV: CA - Inorganic Chemistry OBOR OECD: Inorganic and nuclear chemistry Impact factor: 4.029, year: 2016

  7. Alkaline-earth metal compounds. Oddities and applications

    International Nuclear Information System (INIS)

    Harder, Sjoerd

    2013-01-01

    This book contains the following six topics: heavy alkaline-earth metal organometallic and metal organic chemistry: synthetic methods and properties (Ana Torvisco, Karin Ruhlandt-Senge); Heavier group 2 Grignard reagents of the type aryl-ae(l) n -x post-Grignard reagents (Matthias Westerhausen, Jens Langer, Sven Krieck, Reinald Fischer, Helmar Goerls, Mathias Koehler); stable molecular magnesium(I) dimers: A fundamentally appealing yet synthetically versatile compound class (Cameron Jones, Andreas Stasch); Modern developments in magnesium reagent chemistry for synthesis (Robert E. Mulvey, Stuart D. Robertson); Alkaline-earth metal complexes in homogeneous polymerization catalysis (Jean-Francois Carpentier, Yann Sarazin); homogeneous catalysis with organometallic complexes of group 2 (Mark R. Crimmin, Michael S. Hill); Chiral Ca, Sr and Ba-catalyzed asymmetric direct-type aldol, Michael, and Mannich and related reactions (Tetsu Tsubogo, Yasuhiro Yamashita, Shu- Kobayashi).

  8. 40 CFR 721.4668 - Hydrated alkaline earth metal salts of metalloid oxyanions.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Hydrated alkaline earth metal salts of... Specific Chemical Substances § 721.4668 Hydrated alkaline earth metal salts of metalloid oxyanions. (a... hydrated alkaline earth metal salts of metalloid oxyanions (PMN P-94-1557) is subject to reporting under...

  9. Potassium salts of fatty acids as precipitating agents of alkaline earth metal ions

    International Nuclear Information System (INIS)

    Skrylev, L.D.; Sin'kova, L.A.

    1977-01-01

    Regularities have been studied of precipitation of ions of alkaline-earth elements with caprilate, pelargonate, caprinate, undecanate, laurate, tridecanate, myristate, pentadecanate, palmitate, and stearate of potassium. It has been shown that completeness of precipitation of metal ions is determined by the nature of alkaline-earth metal and potassium salt as well as by pH value and temperature of the solution. The study of temperature dependence of soaps of alkaline-earth metals makes it possible to calculate the heats of dissolution of laurates of alkaline-earth metals, and a change in entropy and free energy

  10. Preparation process of an yttrium (or one rare earth), one alkaline earth metal, copper and oxygen superconductive compound

    International Nuclear Information System (INIS)

    Michel, C.; Pham Ai-Qooc; Raveau, B.

    1991-01-01

    The present invention describes the fabrication at atmospheric pressure of a compound based on yttrium (or a rare earth), one alkaline earth metal, copper, and oxygen so as to get a high-tc superconductor material. 2 refs

  11. Daily intakes of alkaline earth metals in Japanese males

    International Nuclear Information System (INIS)

    Shiraishi, Kunio; Yamamoto, Masayoshi; Ueno, Kaoru

    1994-01-01

    Diet samples were collected for two duplicate portion studies and one market basket study. 226 Ra in the diet samples was determined by alpha spectrometry and daily intake was estimated as 23 mBq (0.62 pCi) per person. Other alkaline earth metals were determined by inductively coupled plasma atomic-emission spectrometry. Average mineral intakes of calcium, magnesium, strontium, and barium were 0.55 g, 0.21 g, 2.3 mg, and 0.39 mg, respectively. Element ratios magnesium:calcium 0.38, strontium:calcium 4.2 x 10 -3 barium:calcium 7.1 X 10 -4 , and Ra:calcium 1.1 x 10 -12 were found in the diet; these compared with element ratios in Japanese vertebrae of magnesium:calcium 0.011, strontium:calcium 3.1 x 10 -4 , barium:calcium 2.7 x 10 -5 , and radium:calcium 2.6 x 10 -14 . Observed ratios, defined as the element ratio in bone divided by the respective element intake ratio in Japanese males, were as follows: 226 Ra 0.02, magnesium 0.03, strontium 0.07, and barium 0.04

  12. Release characteristics of alkali and alkaline earth metallic species during biomass pyrolysis and steam gasification process.

    Science.gov (United States)

    Long, Jiang; Song, Hu; Jun, Xiang; Sheng, Su; Lun-Shi, Sun; Kai, Xu; Yao, Yao

    2012-07-01

    Investigating the release characteristics of alkali and alkaline earth metallic species (AAEMs) is of potential interest because of AAEM's possible useful service as catalysts in biomass thermal conversion. In this study, three kinds of typical Chinese biomass were selected to pyrolyse and their chars were subsequently steam gasified in a designed quartz fixed-bed reactor to investigate the release characteristics of alkali and alkaline earth metallic species (AAEMs). The results indicate that 53-76% of alkali metal and 27-40% of alkaline earth metal release in pyrolysis process, as well as 12-34% of alkali metal and 12-16% of alkaline earth metal evaporate in char gasification process, and temperature is not the only factor to impact AAEMs emission. The releasing characteristics of AAEMs during pyrolysis and char gasification process of three kinds of biomass were discussed in this paper. Copyright © 2012 Elsevier Ltd. All rights reserved.

  13. When VSEPR fails: experimental and theoretical investigations of the behavior of alkaline-earth-metal acetylides.

    Science.gov (United States)

    Guino-o, Marites A; Alexander, Jacob S; McKee, Michael L; Hope, Håkon; Englich, Ulrich B; Ruhlandt-Senge, Karin

    2009-11-09

    The synthesis, structural, and spectral characterization as well as a theoretical study of a family of alkaline-earth-metal acetylides provides insights into synthetic access and the structural and bonding characteristics of this group of highly reactive compounds. Based on our earlier communication that reported unusual geometry for a family of triphenylsilyl-substituted alkaline-earth-metal acetylides, we herein present our studies on an expanded family of target derivatives, providing experimental and theoretical data to offer new insights into the intensively debated theme of structural chemistry in heavy alkaline-earth-metal chemistry.

  14. On the capacity to the complexing of alkaline earth metal and magnesium chromates

    International Nuclear Information System (INIS)

    Orekhov, O.L.

    1978-01-01

    Considered is the capacity to the complexing of magnesium chromates and alkaline earth metal chromates with ammonium chromates in aqueous solutions. It has been established that the complexing of alkaline earth metal and magnesium chromates is effected by a nature of initial salts as well as their solubilities and the presence of crystallization water. Capacity of magnesium ions and alkaline rare earth metals to the complexing decreases in a series of Mg-Ca-Sr-Ba. Ca complexes exceed magnesium derivatives in respect of stability

  15. When VSEPR Fails: Experimental and Theoretical Investigations of the Behavior of Alkaline-Earth-Metal Acetylides

    OpenAIRE

    Guino-o, Marites A.; Alexander, Jacob S.; McKee, Michael L.; Hope, Håkon; Englich, Ulrich B.; Ruhlandt-Senge, Karin

    2009-01-01

    The synthesis, structural, and spectral characterization as well as a theoretical study of a family of alkaline-earth-metal acetylides provides insights into synthetic access and the structural and bonding characteristics of this group of highly reactive compounds. Based on our earlier communication that reported unusual geometry for a family of triphenylsilyl-substituted alkaline-earth-metal acetylides, we herein present our studies on an expanded family of target derivatives, providing expe...

  16. Mass-spectrometric investigation of thermal dissociation of alkaline earth metal monophosphates

    International Nuclear Information System (INIS)

    Lopatin, S.I.; Semenov, G.A.

    1989-01-01

    By the Knudsen effusion method with mass-spectrometric analysis of vapour phase, processes of thermal dissociation of Mg, Ca, Sr and Ba monophosphates have been studied. It is shown that vapour composition over alkaline-earth metal monophoshates depends on the compsition of condensed phase and volatility of alkaline-earth metal oxides. Dependences of partial pressures of vapour components on the temperature and duration of the experiment are given

  17. Vibrational spectra of double rare earth alkaline metal metaphosphates

    International Nuclear Information System (INIS)

    Madij, V.A.; Krasilov, Yu.I.; Kizel', V.A.; Denisov, Yu.V.; Chudinova, N.N.; Vinogradova, N.V.

    1978-01-01

    Joint analysis of the Raman and infrared absorption spectra, as well as X-ray structural data for binary metaphosphates, suggest a cyclic structure of the anion in RbEu(PO 3 ) 4 and a chain structure of the anions in HEu(PO 3 ) 4 and LiEu(PO 3 ) 4 . Spectroscopic criteria are proposed for distinguishing between cyclic and chain structures in binary metaphosphates of rare earth elements and alkali metals

  18. The alkali and alkaline earth metal doped ZnO nanotubes: DFT studies

    International Nuclear Information System (INIS)

    Peyghan, Ali Ahmadi; Noei, Maziar

    2014-01-01

    Doping of several alkali and alkaline earth metals into sidewall of an armchair ZnO nanotube has been investigated by employing the density functional theory in terms of energetic, geometric, and electronic properties. It has been found that doping processes of the alkali and alkaline metals are endothermic and exothermic, respectively. Based on the results, contrary to the alkaline metal doping, the electronic properties of the tube are much more sensitive to alkali metal doping so that it is transformed from intrinsic semiconductor with HOMO–LUMO energy gap of 3.77 eV to an extrinsic semiconductor with the energy gap of ∼1.11–1.95 eV. The doping of alkali and alkaline metals increases and decreases the work function of the tube, respectively, which may influence the electron emission from the tube surface

  19. Use of polysulfides of alkali and alkaline-earth metals to obtain highly dispersed sulfur

    International Nuclear Information System (INIS)

    Massalimov, I.A.; Vikhareva, I.N.; Kireeva, M.S.

    2008-01-01

    Possibilities of obtaining polysulfides of alkali and alkaline earth metals (M is Na, K, Ca, Sr, Ba) in aqueous solutions were considered. The composition of the polysulfides and their concentration in solutions were found. The efficiencies of application of highly dispersed sulfur, produced from calcium polysulfide, and colloid sulfur as a fungicide were compared [ru

  20. Molecular dynamics of liquid alkaline-earth metals near the melting ...

    Indian Academy of Sciences (India)

    Results of the studies of the properties like binding energy, the pair distribution function (), the structure factor (), specific heat at constant volume, velocity autocorrelation function (VACF), radial distribution function, self-diffusion coefficient and coordination number of alkaline-earth metals (Be, Mg, Ca, Sr and Ba) near ...

  1. Syntheses, structure and properties of Alkaline-earth metal salts of 4 ...

    Indian Academy of Sciences (India)

    The synthesis, crystal structure, spectral characteristics and thermal properties of alkaline-earth metal salts of 4-nitrophenylacetic acid (4-npaH) .... Isothermal weight loss studies were performed in a temperature controlled furnace. TG-DTA study ... resulted in the dissolu- tion of MCO3. Filtration followed by slow evaporation ...

  2. Doping of graphite by an alkaline-earth metal to reduce the work function

    NARCIS (Netherlands)

    Baturin, AS; Nikolski, KN; Knyazev, AI; Tchesov, RG; Sheshin, EP

    2004-01-01

    A technique for reducing the work function of a field-emission graphite cathode by doping it by an alkaline-earth metal (barium) is suggested. A model of formation of a barium monolayer on the cathode surface is proposed. Field-emission tests show that the operating voltage of the doped cathode is

  3. Thermochemistry of the alkali metal and alkaline earth-actinide complex oxides

    International Nuclear Information System (INIS)

    Fuger, J.

    1985-01-01

    After a brief discussion of the various techniques used for the preparation of actinide complex oxides, the present status of the thermochemistry of these compounds is reviewed. Perovskite-related compounds are especially considered as thermodynamic data are available for compounds of several actinides and/or several alkali and alkaline earth metals. The stabilities of the complex oxides are discussed with respect to the parent binary oxides and to the aqueous ions; trends as a function of the size and the alkali or the alkaline earth cation are presented. Suggestions for synthesis of some analogous compounds with heavier actinides are also discussed. (orig./RK)

  4. Computer simulation studies of ternary uranate phases with alkali and alkaline-earth metals: Pt. 1

    International Nuclear Information System (INIS)

    Ball, R.G.J.

    1992-01-01

    Solid-state computer simulation techniques have been used to study the alkali and alkaline-earth metal MUO 3 uranate phases. These compounds display an interesting gradation in their structures which, it is shown, is accompanied by a variation in their intrinsic defect chemistry. For example, in the alkali-metal series, LiUO 3 adopts the lithium niobate structure and lithium Frenkel disorder dominates whereas KUO 3 and RbUO 3 adopt regular perovskite structures with Schottky defects being dominant. For the alkaline-earth metal compounds, both the calculations and experiment show that only SrUO 3 and BaUO 3 are stable with respect to the binary oxides. Both of these phases adopt the GdFeO 3 distorted perovskite structure and both have anti-site defects as the dominant intrinsic disorder. The tendency for anti-site disorder is also seen in the oxidation behaviour of these compounds. The calculations suggest that the oxidation will occur through the formation of a secondary UO 2 fluorite phase by the movement of alkaline-earth ions onto uranium sites, leaving behind M vacancies. The calculated energies for such oxidation processes are particularly favourable. The solution of alkaline-earth oxide, M 11 O, in M 11 UO 3 is shown to occur via a mechanism in which the M 11 ions substitute onto both the M 11 and U sublattices. (author)

  5. Endonuclease active site plasticity allows DNA cleavage with diverse alkaline Earth and transition metal ions.

    Science.gov (United States)

    Vasu, Kommireddy; Saravanan, Matheshwaran; Nagaraja, Valakunja

    2011-09-16

    A majority of enzymes show a high degree of specificity toward a particular metal ion in their catalytic reaction. However, Type II restriction endonuclease (REase) R.KpnI, which is the first member of the HNH superfamily of REases, exhibits extraordinary diversity in metal ion dependent DNA cleavage. Several alkaline earth and transition group metal ions induce high fidelity and promiscuous cleavage or inhibition depending upon their concentration. The metal ions having different ionic radii and co-ordination geometries readily replace each other from the enzyme's active site, revealing its plasticity. Ability of R.KpnI to cleave DNA with both alkaline earth and transition group metal ions having varied ionic radii could imply utilization of different catalytic site(s). However, mutation of the invariant His residue of the HNH motif caused abolition of the enzyme activity with all of the cofactors, indicating that the enzyme follows a single metal ion catalytic mechanism for DNA cleavage. Indispensability of His in nucleophile activation together with broad cofactor tolerance of the enzyme indicates electrostatic stabilization function of metal ions during catalysis. Nevertheless, a second metal ion is recruited at higher concentrations to either induce promiscuity or inhibit the DNA cleavage. Regulation of the endonuclease activity and fidelity by a second metal ion binding is a unique feature of R.KpnI among REases and HNH nucleases. The active site plasticity of R.KpnI opens up avenues for redesigning cofactor specificities and generation of mutants specific to a particular metal ion.

  6. Synthesis and infrared spectra of alkaline earth metal carbonates ...

    Indian Academy of Sciences (India)

    The metal carbonate, MCO3 (M = Ca, Sr and Ba), was synthesized by a novel method of reacting aqueous solution of each of Ca2+, Sr2+ and Ba2+ salts with urea at high temperature, ∼ 80°C. The reaction products were characterized through elemental analysis and infrared spectra. The infrared spectra of the products are ...

  7. Alkaline-earth metal bicarbonates as lixiviants for uranium (VI) under CO2 sparging

    International Nuclear Information System (INIS)

    Vaziri, F.; White, D.A.

    1989-01-01

    In recent years it has become apparent that uranium is significantly soluble in solutions of alkaline-earth metal bicarbonates -particularly those of magnesium and calcium. A system has been proposed by previous authors in which milled uranium ore is leached in a medium to which an oxidizing agent, the metal hydroxide and CO 2 are added. The alkaline-earth metal hydroxides are much more readily soluble in this medium than the corresponding carbonates. Magnesium and calcium bicarbonates are quite soluble in aqueous media at neutral or nearly neutral pH. The pH determines the relative quantities of bicarbonate and carbonate ions in the system. Even if the pH is quite low, small amounts of carbonate ion are present that can complex with the uranyl ion to produce anionic uranyl complexes. Both UO 2 (CO 3 ) 2 2- and UO 2 (CO 3 ) 3 4- complexes are known and both have a very high stability constant. Despite the appearance of several patents on the use of alkaline-earth metal ions in carbonate media as uranium lixiviants, little theoretical or experimental work on the system has been published. In view of the potential of these systems for cheap, large-scale dissolution of uranium the present contribution will discuss the theory behind this method and provide some experimental data to verify the theoretical treatment. (author)

  8. Aluminum/alkaline earth metal composites and method for producing

    Science.gov (United States)

    Russell, Alan M; Anderson, Iver E; Kim, Hyong J; Freichs, Andrew E

    2014-02-11

    A composite is provided having an electrically conducting Al matrix and elongated filaments comprising Ca and/or Sr and/or Ba disposed in the matrix and extending along a longitudinal axis of the composite. The filaments initially comprise Ca and/or Sr and/or Ba metal or allow and then may be reacted with the Al matrix to form a strengthening intermetallic compound comprising Al and Ca and/or Sr and/or Ba. The composite is useful as a long-distance, high voltage power transmission conductor.

  9. Evaluation of complexing agents and column temperature in ion chromatographic separation of alkali metals, alkaline earth metals and transition metals ion

    International Nuclear Information System (INIS)

    Kelkar, Anoop; Pandey, Ashish; Name, Anil B.; Das, D.K.; Behere, P.G.; Mohd Afzal

    2015-01-01

    The aim of ion chromatography method development is the resolution of all metal ions of interests. Resolution can be improved by changing the selectivity. Selectivity in chromatography can be altered by changes in mobile phase (eg eluent type, eluent strength) or through changes in stationary phase. Temperature has been used in altering the selectivity of particularly in reversed phase liquid chromatography and ion exchange chromatography. Present paper describe the retention behaviour of alkali metals, alkaline earth metals and transition metal ions on a silica based carboxylate function group containing analyte column. Alkali metals, alkaline earth metals and transition metal ions were detected by ion conductivity and UV-VIS detectors respectively

  10. Properties of the triplet metastable states of the alkaline-earth-metal atoms

    International Nuclear Information System (INIS)

    Mitroy, J.; Bromley, M.W.J.

    2004-01-01

    The static and dynamic properties of the alkaline-earth-metal atoms in their metastable state are computed in a configuration interaction approach with a semiempirical model potential for the core. Among the properties determined are the scalar and tensor polarizabilities, the quadrupole moment, some of the oscillator strengths, and the dispersion coefficients of the van der Waals interaction. A simple method for including the effect of the core on the dispersion parameters is described

  11. Alkali or alkaline earth metal promoted catalyst and a process for methanol synthesis using alkali or alkaline earth metals as promoters

    Science.gov (United States)

    Tierney, John W.; Wender, Irving; Palekar, Vishwesh M.

    1995-01-01

    The present invention relates to a novel route for the synthesis of methanol, and more specifically to the production of methanol by contacting synthesis gas under relatively mild conditions in a slurry phase with a heterogeneous catalyst comprising reduced copper chromite impregnated with an alkali or alkaline earth metal. There is thus no need to add a separate alkali or alkaline earth compound. The present invention allows the synthesis of methanol to occur in the temperature range of approximately 100.degree.-160.degree. C. and the pressure range of 40-65 atm. The process produces methanol with up to 90% syngas conversion per pass and up to 95% methanol selectivity. The only major by-product is a small amount of easily separated methyl formate. Very small amounts of water, carbon dioxide and dimethyl ether are also produced. The present catalyst combination also is capable of tolerating fluctuations in the H.sub.2 /CO ratio without major deleterious effect on the reaction rate. Furthermore, carbon dioxide and water are also tolerated without substantial catalyst deactivation.

  12. Effects of alkaline earth metal ion complexation on amino acid zwitterion stability: Results from infrared action spectroscopy

    NARCIS (Netherlands)

    Bush, M. F.; Oomens, J.; Saykally, R. J.; Williams, E. R.

    2008-01-01

    The structures of isolated alkaline earth metal cationized amino acids are investigated using infrared multiple photon dissociation (IRMPD) spectroscopy and theory. These results indicate that arginine, glutamine, proline, serine, and valine all adopt zwitterionic structures when complexed with

  13. Adsorption of alkali, alkaline-earth, and 3d transition metal atoms on silicene

    Science.gov (United States)

    Sahin, H.; Peeters, F. M.

    2013-02-01

    The adsorption characteristics of alkali, alkaline-earth, and transition metal adatoms on silicene, a graphene-like monolayer structure of silicon are analyzed by means of first-principles calculations. In contrast to graphene, interaction between the metal atoms and the silicene surface is quite strong due to its highly reactive buckled hexagonal structure. In addition to structural properties, we also calculate the electronic band dispersion, net magnetic moment, charge transfer, work function, and dipole moment of the metal adsorbed silicene sheets. Alkali metals, Li, Na, and K, adsorb to hollow sites without any lattice distortion. As a consequence of the significant charge transfer from alkalis to silicene, metalization of silicene takes place. Trends directly related to atomic size, adsorption height, work function, and dipole moment of the silicene/alkali adatom system are also revealed. We found that the adsorption of alkaline-earth metals on silicene is entirely different from their adsorption on graphene. The adsorption of Be, Mg, and Ca turns silicene into a narrow gap semiconductor. Adsorption characteristics of eight transition metals Ti, V, Cr, Mn, Fe, Co, Mo, and W are also investigated. As a result of their partially occupied d orbital, transition metals show diverse structural, electronic, and magnetic properties. Upon the adsorption of transition metals, depending on the adatom type and atomic radius, the system can exhibit metal, half-metal, and semiconducting behavior. For all metal adsorbates, the direction of the charge transfer is from adsorbate to silicene, because of its high surface reactivity. Our results indicate that the reactive crystal structure of silicene provides a rich playground for functionalization at nanoscale.

  14. The heterogeneous reactions of silica, titania and zirconia with alkaline-earth metal oxides in metal chloride melts - to form alkaline-earth metal silicates titanates and zirconates. 1

    International Nuclear Information System (INIS)

    Packter, A.; Zaidi, S.A.

    1982-01-01

    The solubility versus temperature phase diagrams, for calcium, strontium and barium oxide (silicate and titanate) solutions in the metal chloride melts at 800 to 1400 0 C, have been analysed. The alkaline-earth metal oxide solutions are binary mixtures with solvate formation and the liquid phases probably contain [O . 4 MCl 2 ] 2- , [O . MCl 2 ] 2- and O 2- anions. The alkaline-earth metal metsilicate solutions are non-ideal binary mixtures and the liquid phases probably contain mainly Si 3 O 9 6- anions: the orthosilicate solutions probably contain [SiO 4 . MCl 2 ] 4- and SiO 4 4- anions. The alkaline-earth metal titanate solutions are ideal binary mixtures upto titanate mole fraction 0.3-0.6 and the liquid phases probably contain only TiO 3 2- anions. The overall ionic equilibria, occurring in the liquid phases during the chemical reactions of silica (and titania) with alkaline-earth metal oxides in metal chloride melts in this temperature range, were thence assessed. (author)

  15. Kinetics of the mechanochemical synthesis of alkaline-earth metal amides

    Science.gov (United States)

    Garroni, Sebastiano; Takacs, Laszlo; Leng, Haiyan; Delogu, Francesco

    2014-07-01

    A phenomenological framework is developed to model the kinetics of the formation of alkaline-earth metal amides by the ball milling induced reaction of their hydrides with gaseous ammonia. It is shown that the exponential character of the kinetic curves is modulated by the increase of the total volume of the powder inside the reactor due to the substantially larger molar volume of the products compared to the reactants. It is claimed that the volume of powder effectively processed during each collision connects the transformation rate to the physical and chemical processes underlying the mechanochemical transformations.

  16. Tensorial analysis of the long-range interaction between metastable alkaline-earth-metal atoms

    International Nuclear Information System (INIS)

    Santra, Robin; Greene, Chris H.

    2003-01-01

    Alkaline-earth-metal atoms in their lowest (nsnp) 3 P 2 state are exceptionally long lived and can be trapped magnetically. The nonspherical atomic structure leads to anisotropic long-range interactions between two metastable alkaline-earth-metal atoms. The anisotropy affects the rotational motion of the diatomic system and couples states of different rotational quantum numbers. This paper develops a tensorial decomposition of the most important long-range interaction operators, and a systematic inclusion of molecular rotations, in the presence of an external magnetic field. This analysis illuminates the nature of the coupling between the various degrees of freedom. The consequences are illustrated by application to a system of practical interest: metastable 88 Sr. Using atomic parameters determined in a nearly ab initio calculation, we compute adiabatic potential-energy curves. The anisotropic interatomic interaction, in combination with the applied magnetic field, is demonstrated to induce the formation of a long-range molecular potential well. This curve correlates to two fully polarized, low-field seeking atoms in a rotational s-wave state. The coupling among molecular rotational states controls the existence of the potential well, and its properties vary as a function of magnetic-field strength, thus allowing the scattering length in this state to be tuned. The scattering length of metastable 88 Sr displays a resonance at a field of 339 G

  17. Selective oxidation of methanol to hydrogen over gold catalysts promoted by alkaline-earth-metal and lanthanum oxides

    NARCIS (Netherlands)

    Hereijgers, B.P.C.; Weckhuysen, B.M.

    2009-01-01

    A series of alumina-supported gold catalysts was investigated for the CO-free production of hydrogen by partial oxidation of methanol. The addition of alkaline-earth metal oxide promoters resulted in a significant improvement of the catalytic performance. The methanol conversion was ca. 85 % with

  18. Semiempirical calculation of van der Waals coefficients for alkali-metal and alkaline-earth-metal atoms

    International Nuclear Information System (INIS)

    Mitroy, J.; Bromley, M.W.J.

    2003-01-01

    The van der Waals coefficients, C 6 , C 8 , and C 10 for the alkali-metal (Li, Na, K, and Rb) and alkaline-earth-metal (Be, Mg, Ca, and Sr) atoms are estimated by a combination of ab initio and semiempirical methods. Polarizabilities and atom-wall coefficients are given as a diagnostic check, and the lowest order nonadiabatic dispersion coefficient, D 8 and the three-body coefficient, C 9 are also presented. The dispersion coefficients are in agreement with the available relativistic many-body perturbation theory calculations. The contribution from the core was included by using constrained sum rules involving the core polarizability and Hartree-Fock expectation values to estimate the f-value distribution

  19. Nitridomanganates of alkaline-earth metals. Synthesis, structure, and physical properties

    Energy Technology Data Exchange (ETDEWEB)

    Ovchinnikov, Alexander

    2016-12-02

    The main goal of the present work was the synthesis of alkaline-earth nitridomanganates (AE{sub x}Mn{sub y}N{sub z}) with extended anionic structures and the characterization of their electronic and magnetic properties. Up to now, only compounds with isolated nitridomanganate anions have been reported in the discussed ternary systems. A systematic exploratory synthesis, employing high-temperature treatment of AE nitrides and Mn under controlled N2 pressure, yielded more than ten new nitridomanganates. Their crystal structures contain anionic building blocks of different dimensionalities, ranging from isolated species to three-dimensional frameworks. In general, the formation of Mn-rich compositions was found to be driven by the emergence of Mn-Mn interactions, which creates a link between nitridometalates and transition-metal-rich binary nitrides. The obtained nitridomanganates display a plethora of interesting phenomena, such as large spin-orbit coupling, magnetic frustration, quenching of magnetism due to Mn-Mn interactions, and metal-insulator transition.

  20. Alkaline-earth metal phosphonocarboxylates: synthesis, structures, chirality, and luminescence properties

    Czech Academy of Sciences Publication Activity Database

    Zima, Vítězslav; Raja, D. S.; Lee, Y. S.; Chang, T. G.; Wu, Ch. Y.; Hu, Ch. Ch.; Lee, K. R.; Lai, J. Y.; Yeh, J. M.; Lin, Ch. H.

    2013-01-01

    Roč. 42, č. 43 (2013), s. 15332-15342 ISSN 1477-9226 Grant - others:AV ČR(CZ) M200501202 Program:M Institutional support: RVO:61389013 Keywords : coordination polymers * phosphonates * alkaline-earth Subject RIV: CA - Inorganic Chemistry Impact factor: 4.097, year: 2013

  1. Alkaline-earth metal (Mg) polynitrides at high pressure as possible high-energy materials.

    Science.gov (United States)

    Wei, Shuli; Li, Da; Liu, Zhao; Li, Xin; Tian, Fubo; Duan, Defang; Liu, Bingbing; Cui, Tian

    2017-03-29

    The high-pressure structural evolutionary behaviors of magnesium polynitrides were studied up to 100 GPa using first-principles calculations. Using the unbiased structure searching method, five stable chemical stoichiometries of magnesium polynitrides (MgN, Mg 2 N 3 , MgN 2 , MgN 3 , and MgN 4 ) were theoretically predicted at high pressures. The predicted MgN x compounds contain a rich variety of polynitrogen forms ranging from charged molecules (one-dimensional bent molecules N 3 , planar triangle N 4 to benzene-like rings N 6 ) to extended polymeric chains (N ∞ ). To the best of our knowledge, this is the first time that stable bent molecules N 3 , planar triangle N 4 , and polymeric chains (N ∞ ) were predicted in alkaline-earth metal polynitrides. The decomposition of P1[combining macron]-MgN 3 and P1[combining macron]-MgN 4 are expected to be highly exothermic, releasing an energy of approximately 2.83 kJ g -1 and 2.01 kJ g -1 , respectively. Furthermore, P1[combining macron]-MgN 4 can be synthesized at several GPa. The results of the present study suggest that it is possible to obtain energetic polynitrogen in main-group nitrides under high pressure.

  2. Alkaline earth metal and samarium co-doped ceria as efficient electrolytes

    Science.gov (United States)

    Ali, Amjad; Raza, Rizwan; Kaleem Ullah, M.; Rafique, Asia; Wang, Baoyuan; Zhu, Bin

    2018-01-01

    Co-doped ceramic electrolytes M0.1Sm0.1Ce0.8O2-δ (M = Ba, Ca, Mg, and Sr) were synthesized via co-precipitation. The focus of this study was to highlight the effects of alkaline earth metals in doped ceria on the microstructure, densification, conductivity, and performance. The ionic conductivity comparisons of prepared electrolytes in the air atmosphere were studied. It has been observed that Ca0.1Sm0.1Ce0.8O2-δ shows the highest conductivity of 0.124 Scm-1 at 650 °C and a lower activation energy of 0.48 eV. The cell shows a maximum power density of 630 mW cm-2 at 650 °C using hydrogen fuel. The enhancement in conductivity and performance was due to increasing the oxygen vacancies in the ceria lattice with the increasing dopant concentration. The bandgap was calculated from UV-Vis data, which shows a red shift when compared with pure ceria. The average crystallite size is in the range of 37-49 nm. DFT was used to analyze the co-doping structure, and the calculated lattice parameter was compared with the experimental lattice parameter.

  3. Effect of alkaline earth metal and magnesium cations on cadmium extraction from chloride solutions by tributyl phosphate

    International Nuclear Information System (INIS)

    Prokuev, V.A.; Belousov, E.A.

    1985-01-01

    At 298 K thermodynamic constants of cadmium (2) extraction from chloride solutions of magnesium, calcium, strontium and barium by tributyl phosphate are calculated. It is established, that logarithm of the thermodynamic extraction constant is in a linear dependence from the change in the cation hydration enthalpy in agqueous solution. It is shown, that activity coefficient of neutral complex CdVCl 2 differs from one, and it is the higher the more stable the complex is in alkaline earth metal chloride solutions

  4. Dipole polarizability of alkali-metal (Na, K, Rb)-alkaline-earth-metal (Ca, Sr) polar molecules: Prospects for alignment

    Science.gov (United States)

    Gopakumar, Geetha; Abe, Minori; Hada, Masahiko; Kajita, Masatoshi

    2014-06-01

    Electronic open-shell ground-state properties of selected alkali-metal-alkaline-earth-metal polar molecules are investigated. We determine potential energy curves of the 2Σ+ ground state at the coupled-cluster singles and doubles with partial triples (CCSD(T)) level of electron correlation. Calculated spectroscopic constants for the isotopes (23Na, 39K, 85Rb)-(40Ca, 88Sr) are compared with available theoretical and experimental results. The variation of the permanent dipole moment (PDM), average dipole polarizability, and polarizability anisotropy with internuclear distance is determined using finite-field perturbation theory at the CCSD(T) level. Owing to moderate PDM (KCa: 1.67 D, RbCa: 1.75 D, KSr: 1.27 D, RbSr: 1.41 D) and large polarizability anisotropy (KCa: 566 a.u., RbCa: 604 a.u., KSr: 574 a.u., RbSr: 615 a.u.), KCa, RbCa, KSr, and RbSr are potential candidates for alignment and orientation in combined intense laser and external static electric fields.

  5. Validation of ion chromatography for the determination of transition metal ions along with alkali, alkaline earth metal elements for uranium oxide fuel

    International Nuclear Information System (INIS)

    Kelkar, Anoop; Prakash, Amrit; Afzal, Mohd.; Panakkal, J.P.

    2009-02-01

    The present report describes the use of Ion chromatography (IC) methods with spectrophotometric and direct conductivity detection for the determination of transition metal elements and alkali alkaline earth metal ions in UO 2 pellets. Transmet analytical column and Metrosep- cation 1-2 column were used for the separation of transition metal elements and alkali and alkaline earth metal elements respectively. Oxalic acid and mixture of pyridine 2,6-dicarboxylic acid (PDCA), Na 2 SO 4 and NaCl were used as mobile phase for the separation of transition metal ions and monitored after post - column reaction with 4,2-pyridylazo resorcinol (PAR) at 520nm spectrophotometrically. In the determination of alkali and alkaline earth metal ions the interference of transition metals are removed by complexing them with PDCA. Mixture of tartaric acid and PDCA employed in the separation of alkali and alkaline earth metal ions and monitored on direct conductivity detector. Mobile phase composition was optimised for the base line separation. Calibration plots of Fe 3+ , Cu 2+ , Ni 2+ , Co 2+ , Cd 2+ , Mn 2+ , Li + , Na + , K + , Mg 2+ , Ca 2+ and Sr 2+ were linear over a wide dynamic range with regression coefficient better than 0.999. Detection limit of above ions were between 5-30ppb. To prevent the overloading of the cation exchange column, uranium matrix was removed from UO 2 sample by solvent extraction with 30% TBP - TOPO/CCl 4 . Ten sintered UO2 pellets of same lot were analysed and R.S.D. ±10% was obtained. These methods were validated by analysis of ILCE standards of UO 2 . (author)

  6. Cure and mechanical properties of carboxylated nitrile rubber (XNBR) vulcanized by alkaline earth metal compounds

    Science.gov (United States)

    Tulyapitak, Tulyapong

    Compounds of carboxylated nitrile rubber (XNBR) with alkaline metal oxides and hydroxide were prepared, and their cure and mechanical properties were investigated. Magnesium oxide (MgO) with different specific surface areas (45, 65, and 140 m2/g) was used. Increased specific surface area and concentration of MgO resulted in higher cure rate. Optimum stiffness, tensile strength, and ultimate strain required an equimolar amount of acidity and MgO. The effect of specific surface area on tensile properties was not significant. Crosslink density of XNBR-MgO vulcanizates increased with increased amounts of MgO. ATR-IR spectroscopy showed that neutralization occurs in two steps: (1) During mixing and storage, MgO reacts with carboxyl groups (RCOOH) to give RCOOMgOH. (2) Upon curing, these react bimolecularly to form RCOOMgOOCR and Mg(OH)2. Dynamic mechanical thermal analysis revealed an ionic transition at higher temperature, in addition to the glass transition. The ionic transition shifts to higher temperature with increasing MgO concentration. Like MgO-XNBR systems, cure rates of XNBR-calcium hydroxide (Ca(OH)2) and XNBR-barium oxide (BaO) compounds increased with increased content of curing agents. Curing by these two agents resulted in ionic crosslinks. To ensure optimum tensile properties, equimolar amounts of carboxyl groups and curing agents were required. Dynamic mechanical analysis revealed the ionic transition in these two systems. It shifted to higher temperature with increased amounts of curing agents. In contrast to MgO, Ca(OH)2, and BaO, calcium oxide (CaO) gave results similar to those for thermally cured samples. No ionic transition was observed in XNBR-CaO systems. Tensile strength of XNBR depended on the strength of ionic crosslinks, which was dependent on the size of the alkaline metal ions.

  7. Coprecipitation of rare earths in systems of three heterovalent ions with sulfates of alkali and alkaline-earth metals

    International Nuclear Information System (INIS)

    Bobrik, V.M.

    1977-01-01

    Co-precipitation of rare earth elements (REE) in milligram amounts (3x10 -3 -3x10 -1 M) with alkali earth (AEE) sulfates in presence of alkali metal ions has been studied, the AEE:REE ratios between the co-precipitator and a REE (up to 50:1) the latter can be co-precipitated quantitatively in presence of corresponding alkali metals linked with the AEE in the Periodic table by a diagonal, i.e. in presence of sodium in co-precipitation with calcium sulfate, potassium with strontium sulfate and rubidium with barium sulfate. Co-precipitation with sulfates of sodium and calcium occurs at temperatures above 85 deg C and presumably involves calcium semihydrate. In presence of an alkali metal REE co-precipitation with AEE becomes isomorphic, i.e. at different AEE:REE ratios the co-precipitation coefficient remains constant. In presence of corresponding alkali metals the decrease in effectiveness of co-precipitation with AEE in the La-Lu series is more pronounced

  8. Oxidation behavior of Cr(III) during thermal treatment of chromium hydroxide in the presence of alkali and alkaline earth metal chlorides.

    Science.gov (United States)

    Mao, Linqiang; Gao, Bingying; Deng, Ning; Liu, Lu; Cui, Hao

    2016-02-01

    The oxidation behavior of Cr(III) during the thermal treatment of chromium hydroxide in the presence of alkali and alkaline earth metal chlorides (NaCl, KCl, MgCl2, and CaCl2) was investigated. The amounts of Cr(III) oxidized at various temperatures and heating times were determined, and the Cr-containing species in the residues were characterized. During the transformation of chromium hydroxide to Cr2O3 at 300 °C approximately 5% of the Cr(III) was oxidized to form intermediate compounds containing Cr(VI) (i.e., CrO3), but these intermediates were reduced to Cr2O3 when the temperature was above 400 °C. Alkali and alkaline earth metals significantly promoted the oxidation of Cr(III) during the thermal drying process. Two pathways were involved in the influences the alkali and alkaline earth metals had on the formation of Cr(VI). In pathway I, the alkali and alkaline earth metals were found to act as electron transfer agents and to interfere with the dehydration process, causing more intermediate Cr(VI)-containing compounds (which were identified as being CrO3 and Cr5O12) to be formed. The reduction of intermediate compounds to Cr2O3 was also found to be hindered in pathway I. In pathway II, the alkali and alkaline earth metals were found to contribute to the oxidation of Cr(III) to form chromates. The results showed that the presence of alkali and alkaline earth metals significantly increases the degree to which Cr(III) is oxidized during the thermal drying of chromium-containing sludge. Copyright © 2015 Elsevier Ltd. All rights reserved.

  9. Colorimetric and bare-eye detection of alkaline earth metal ions based on the aggregation of silver nanoparticles functionalized with thioglycolic acid

    International Nuclear Information System (INIS)

    Wu, Xiaoyan; Tang, Wanxin; Hou, Cong; Zhang, Chao; Zhu, Ningning

    2014-01-01

    We describe a simple and rapid method for colorimetric and bare-eye detection of the alkaline earth metal ions Mg(II), Ca(II), Sr(II) and Ba(II) based on the use of silver nanoparticles (AgNPs) functionalized with thioglycolic acid (TGA). The TGA ligand was self-assembled onto the AgNPs to form a probe that undergoes a color change from yellow to orange or red on exposure to the alkaline earth ions. It is presumed that the color change is a result of the aggregation of the AgNPs caused by the interaction of the bivalent ions with the carboxy groups on the AgNPs. The color change can be used for bare-eye and colorimetric determination of the alkaline earth metal ions, for example to rapidly determine water hardness. (author)

  10. Oxidation catalysts on alkaline earth supports

    Science.gov (United States)

    Mohajeri, Nahid

    2017-03-21

    An oxidation catalyst includes a support including particles of an alkaline earth salt, and first particles including a palladium compound on the support. The oxidation catalyst can also include precious metal group (PMG) metal particles in addition to the first particles intermixed together on the support. A gas permeable polymer that provides a continuous phase can completely encapsulate the particles and the support. The oxidation catalyst may be used as a gas sensor, where the first particles are chemochromic particles.

  11. Surface effect on the electronic and the magnetic properties of rock-salt alkaline-earth metal silicides

    International Nuclear Information System (INIS)

    Bialek, Beata; Lee, Jaeil

    2011-01-01

    An all electron ab-initio method was employed to study the electronic and the magnetic properties of the (001) surface of alkaline-earth metal silicides, CaSi, SrSi, and BaSi, in the rock-salt structure. The three compounds retain their ferromagnetic metallic properties at the surface. Due to the surface effects, the magnetism of the topmost layer is changed as compared with the bulk. This is a short-range effect. In CaSi, the magnetism of the surface layer is noticeably reduced, as compared with the bulk: magnetic moments (MMs) on both Ca and Si atoms are reduced. In SrSi (001), the polarization of electrons in the surface atoms is similar to that in the bulk atoms, and the values of MMs on the component atoms in the topmost layer do not change as much as in CaSi. In BaSi (001), the magnetic properties of Si surface atoms are enhanced slightly, and the magnetism of Ba atoms is not affected considerably by the surface effect. The calculated densities of states confirm the short-range effect of the surface on the electronic properties of the metal silicides.

  12. Preliminary investigations on picoplankton-related precipitation of alkaline-earth metal carbonates in meso-oligotrophic lake Geneva (Switzerland

    Directory of Open Access Journals (Sweden)

    Jean-Michel Jaquet

    2013-10-01

    Full Text Available In the course of a routine water-quality survey in meso-oligotrophic lake Geneva (Switzerland, suspended matter was collected by filtration on 0.2 μm membranes in July and August 2012 at the depth of maximal chlorophyll a (Chl a concentration (2 mg m–3. Examination by scanning electron microscopy revealed the presence of numerous dark and gelatinous patches occluding the pores of the membranes, containing high numbers of picoplanktonic cells and, in places, clusters of high-reflectance smooth microspheres (1-2 μm in diameter. Their chemical composition, determined by semi-quantitative, energy-dispersive X ray spectroscopy (EDS showed magnesium (Mg, calcium (Ca, strontium (Sr and barium (Ba (alkaline earth metals to be the dominant cations. Among the anions, phosphorus (P and carbon (C were present, but only the latter is considered here (as carbonate. The microspheres were subdivided into four types represented in a Ca-Sr-Ba ternary space. All types are confined within a domain bound by Ca>45, Sr<10 and Ba<50 (in mole %. Type I, the most frequent, displays a broad variability in Ba/Ca, even within a given cluster. Types II and III are devoid of Ba, but may incorporate P. Type IV contains only Ca. The Type I composition resembles that of benstonite, a Group IIA carbonate that was recently found as intracellular granules in a cyanobacterium from alkaline lake Alchichica (Mexico.Lake Geneva microspheres are solid, featureless and embedded in a mucilage-looking substance in the vicinity of, but seemingly not inside, picoplanktonic cells morphologically similar to Chlorella and Synechococcus. In summer 2012, the macroscopic physico-chemical conditions in lake Geneva epilimnion were such as to allow precipitation of Ca but not of Sr and Ba carbonates. Favourable conditions did exist, though, in the micro-environment provided by the combination of active picoplankton and a mucilaginous envelope. Further studies are ongoing to investigate the

  13. Theoretical study on the role of surface basicity and Lewis acidity on the etherification of glycerol over alkaline earth metal oxides

    NARCIS (Netherlands)

    Calatayud, M.; Ruppert, A.M.|info:eu-repo/dai/nl/314003398; Weckhuysen, B.M.|info:eu-repo/dai/nl/285484397

    2009-01-01

    Alkaline earth metal oxides (MO) are catalytically active in the etherification of glycerol. Density Functional Theory (DFT) calculations have been used to examine the reactivity of glycerol with MO surfaces with M=Mg, Ca, Sr or Ba. More specifically, the optimum glycerol adsorption mode and the

  14. Enhanced NH3 gas sensing performance based on electrospun alkaline-earth metals composited SnO2 nanofibers

    International Nuclear Information System (INIS)

    Xu, Shuang; Kan, Kan; Yang, Ying; Jiang, Chao; Gao, Jun; Jing, Liqiang; Shen, Peikang; Li, Li

    2015-01-01

    Highlights: • The small-sized SnO 2 (5–7 nm) were obtained by adding the alkaline-earth. • Sr-composited SnO 2 nanofibers showed uniform nanotubes structure (Sr/SnO 2 ). • Sr/SnO 2 showed an excellent sensing performance to NH 3 at room temperature. - Abstract: One-dimensional alkaline-earth metals composited SnO 2 (Ae/SnO 2 ) nanofibres were fabricated via electrospinning technique, followed by thermal treatment at 600 °C for 5 h. Transmission electron microscopy (TEM) studies showed that the nanoparticles size of Ae/SnO 2 was 5–7 nm, which was smaller than the pristine SnO 2 nanorods attached by 20 nm nanoparticles. Moreover, Sr/SnO 2 nanocomposites showed uniform nanotubes structure with the wall thickness of about 30 nm, in which all the nanoparticles were connected to their neighbors by necks. The Sr/SnO 2 nanotubes exhibited an excellent sensing response toward NH 3 gas at room temperature, lower detection limit (10 ppm), faster response time (6 s towards 2000 ppm∼16 s towards 10 ppm) and better reversibility compared to the pristine SnO 2 nanorods. The enhanced sensor performances were attributed to the higher conductivity of the Sr/SnO 2 . Mott–Schottky plots (M–S) and electrochemical impedance spectroscopy (EIS) measurements indicated that the carrier density of Sr/SnO 2 nanotubes was 3 fold of that pristine SnO 2

  15. Equilibrium mononuclear-trinuclear complex in acetonitrile solutions of copper (2) N,N'-ethylene-bis-salicylideneiminate and alkaline earth metal perchlorates

    International Nuclear Information System (INIS)

    Zheltvaj, I.I.; Siritsov, A.I.; Egorova, A.L.; Kamalov, G.L.

    1985-01-01

    Trinuclear adducts of copper (2) NN'-ethylene-bis salicylidenimi=n ate (CuES) with alkaline earth metal perchlorates are dissolved in acetonitrile with the preservation of polynuclear structure, which is confirmed by the data of vibrational and electron spectroscopy. Reversible dissociation of polynuclear adduct is detected, its scale depending on alkaline earth metal nature and increasing in the series Mg 2+ reversible M(CuES) 2 are found, the logarithms of which in the above-mentioned series of metals equal: 11.7+-0.1; 10.5+-0.1; 9.3+-0.1; 8.1+-0.1 and correlate linearly with the absorption band frequencies of the corresponding complexes. Possible reasons for the correlation are discussed

  16. Syntheses, structure and properties of Alkaline-earth metal salts of 4 ...

    Indian Academy of Sciences (India)

    technical details of data acquisition and selected crystal refinement ... An analysis revealed that all compounds which contain metal:4-npa in 1:2 ratio are differently hydrated with the metal:water ratios being 1:10, 1:2, 1:7.5 and 1:1 for Mg, Ca, Sr and Ba, respectively. ... ing vibration of the −NO2 group is also observed as a.

  17. Effect of metal cation replacement on the electronic structure of metalorganic halide perovskites: Replacement of lead with alkaline-earth metals

    Science.gov (United States)

    Pazoki, Meysam; Jacobsson, T. Jesper; Hagfeldt, Anders; Boschloo, Gerrit; Edvinsson, Tomas

    2016-04-01

    Organic and inorganic lead halogen perovskites, and in particular, C H3N H3Pb I3 , have during the last years emerged as a class of highly efficient solar cell materials. Herein we introduce metalorganic halogen perovskite materials for energy-relevant applications based on alkaline-earth metals. Based on the classical notion of Goldschmidt's rules and quantum mechanical considerations, the three alkaline-earth metals, Ca, Sr, and Ba, are shown to be able to exchange lead in the perovskite structure. The three alkaline-earth perovskites, C H3N H3Ca I3,C H3N H3Sr I3 , and C H3N H3Ba I3 , as well as the reference compound, C H3N H3Pb I3 , are in this paper investigated with density functional theory (DFT) calculations, which predict these compounds to exist as stable perovskite materials, and their electronic properties are explored. A detailed analysis of the projected molecular orbital density of states and electronic band structure from DFT calculations were used for interpretation of the band-gap variations in these materials and for estimation of the effective masses of the electrons and holes. Neglecting spin-orbit effects, the band gap of MACa I3,MASr I3 , and MABa I3 were estimated to be 2.95, 3.6, and 3.3 eV, respectively, showing the relative change expected for metal cation exchange. The shifts in the conduction band (CB) edges for the alkaline-earth perovskites were quantified using scalar relativistic DFT calculations and tight-binding analysis, and were compared to the situation in the more extensively studied lead halide perovskite, C H3N H3Pb I3 , where the change in the work function of the metal is the single most important factor in tuning the CB edge and band gap. The results show that alkaline-earth-based organometallic perovskites will not work as an efficient light absorber in photovoltaic applications but instead could be applicable as charge-selective contact materials. The rather high CB edge and the wide band gap together with the large

  18. Distribution behavior of uranium, neptunium, rare-earth elements ( Y, La, Ce, Nd, Sm, Eu, Gd) and alkaline-earth metals (Sr,Ba) between molten LiClKCI eutectic salt and liquid cadmium or bismuth

    Science.gov (United States)

    Kurata, M.; Sakamura, Y.; Hijikata, T.; Kinoshita, K.

    1995-12-01

    Distribution coefficients of uranium neptunium, eight rare-earth elements (Y, La, Ce, Pr, Nd, Sm, Eu and Gd) and two alkaline-earth metals (Sr and Ba) between molten LiCl-KCI eutectic salt and either liquid cadmium or bismuth were measured at 773 K. Separation factors of trivalent rare-earth elements to uranium or neptunium in the LiCl-KCl/Bi system were by one or two orders of magnitude larger than those in the LiCl-KCl/Cd system. On the contrary, the separation factors of alkaline-earth metals and divalent rare-earth elements to trivalent rare-earth elements were by one or two orders of magnitude smaller in the LiCl-KCl/Bi system.

  19. Distribution behavior of uranium, neptunium, rare-earth elements (Y, La, Ce, Nd, Sm, Eu, Gd) and alkaline-earth metals (Sr,Ba) between molten LiCl-KCl eutectic salt and liquid cadmium or bismuth

    International Nuclear Information System (INIS)

    Kurata, M.; Sakamura, Y.; Hijikata, T.; Kinoshita, K.

    1995-01-01

    Distribution coefficients of uranium neptunium, eight rare-earth elements (Y, La, Ce, Pr, Nd, Sm, Eu and Gd) and two alkaline-earth metals (Sr and Ba) between molten LiCl-KCl eutectic salt and either liquid cadmium or bismuth were measured at 773 K. Separation factors of trivalent rare-earth elements to uranium or neptunium in the LiCl-KCl/Bi system were by one or two orders of magnitude larger than those in the LiCl-KCl/Cd system. On the contrary, the separation factors of alkaline-earth metals and divalent rare-earth elements to trivalent rare-earth elements were by one or two orders of magnitude smaller in the LiCl-KCl/Bi system. (orig.)

  20. New type of complex alkali and alkaline earth metal borates with isolated (B12O24)12) anionic group.

    Science.gov (United States)

    Wu, Hongping; Yu, Hongwei; Pan, Shilie; Jiao, Anqing; Han, Jian; Wu, Kui; Han, Shujuan; Li, Hongyi

    2014-03-28

    Compounds with isolated anionic groups often exhibit special linear and nonlinear optical properties and possess potential applications such as birefringence, second harmonic generation and stimulated Raman scattering crystals. In this paper, two new alkali and alkaline earth mixed-metal borates, Li3KB4O8 and LiNa2Sr8B12O24F6Cl, with isolated (B12O24)(12-) anionic groups have been successfully synthesized by spontaneous crystallization. Their structures were determined by single crystal X-ray diffraction and they both crystallize in the same space group, R3[combining macron]. More interestingly, further structure comparison shows that the discovered anhydrous borates with the (B12O24)(12-) groups also crystallize in the same space group R3[combining macron], which is related with the local symmetry of the (B12O24)(12-) groups. These structural features suggest that the crystal structures of the family of compounds depend more on their anionic groups. In addition, the property characterizations of the two new borates were investigated by TG-DSC, IR and UV-vis-NIR diffuse reflectance.

  1. CO2 gasification reactivity of biomass char: catalytic influence of alkali, alkaline earth and transition metal salts.

    Science.gov (United States)

    Lahijani, Pooya; Zainal, Zainal Alimuddin; Mohamed, Abdul Rahman; Mohammadi, Maedeh

    2013-09-01

    This study investigates the influence of alkali (Na, K), alkaline earth (Ca, Mg) and transition (Fe) metal nitrates on CO2 gasification reactivity of pistachio nut shell (PNS) char. The preliminary gasification experiments were performed in thermogravimetric analyzer (TGA) and the results showed considerable improvement in carbon conversion; Na-char>Ca-char>Fe-char>K-char>Mg-char>raw char. Based on TGA studies, NaNO3 (with loadings of 3-7 wt%) was selected as the superior catalyst for further gasification studies in bench-scale reactor; the highest reactivity was devoted to 5 wt% Na loaded char. The data acquired for gasification rate of catalyzed char were fitted with several kinetic models, among which, random pore model was adopted as the best model. Based on obtained gasification rate constant and using the Arrhenius plot, activation energy of 5 wt% Na loaded char was calculated as 151.46 kJ/mol which was 53 kJ/mol lower than that of un-catalyzed char. Copyright © 2013 Elsevier Ltd. All rights reserved.

  2. Hydrogen storage property of alkali and alkaline-earth metal atoms decorated C24 fullerene: A DFT study

    Science.gov (United States)

    Zhang, Yafei; Cheng, Xinlu

    2018-04-01

    The hydrogen storage behavior of alkali and alkaline-earth metal (AM = Li, Na, K, Mg, Ca) atoms decorated C24 fullerene was investigated by using density functional theory (DFT) study. Our results indicate that the AM atoms prefer to adsorb atop the center of tetragon of C24 fullerene with the largest binding energy than other possible adsorption sites. Moreover, the hydrogen storage gravimetric density of 24H2/6Li/C24, 24H2/6Na/C24 and 36H2/6Ca/C24 configurations reaches up to 12.7 wt%, 10.1 wt% and 12 wt%, higher than the year 2020 target from the US department of energy (DOE). Also, the average adsorption energies of H2 molecules of the 24H2/6Li/C24, 24H2/6Na/C24 and 36H2/6Ca/C24 configurations are -0.198 eV/H2, -0.164 eV/H2 and -0.138 eV/H2, locate the desirable range under the physical adsorption at near ambient conditions. These findings will have important implications on designing new hydrogen storage materials in the future.

  3. Electrochemical transformations of oxygen and the defect structure of solid solutions on the basis of alkaline earth metal ortho-vanadates

    International Nuclear Information System (INIS)

    Khodos, M.Ya.; Belysheva, G.M.; Brajnina, Kh.Z.

    1986-01-01

    Effect of iso- and heterovalent substitution in the structure of alkaline earth metal ortho-vanadates and synthesis conditions, simulating the definite type of their crystal lattice disordering, on the character of potentiodynamic anodic-cathodic curves has been investigated by the method of cyclic voltammetry. Correlation between signals observed and the defect structure of oxide compounds is refined. Oxygen chemisorption is shown to be determined by concentration of nonequilibrium oxygen vacancies, which formation is accompanied by appearance of quasi-free electrons

  4. Novel 2D or 3D alkaline-earth metal sulfonate-phosphonates based on [O 3S-C 2H 4-PO 3H] 2- ligand

    Science.gov (United States)

    Du, Zi-Yi; Wen, He-Rui; Xie, Yong-Rong

    2008-11-01

    Three novel alkaline-earth metal sulfonate-phosphonates based on [O 3S-C 2H 4-PO 3H] 2- ligand, namely, [Ca(O 3SC 2H 4PO 3H)(H 2O) 2] ( 1), [Sr(O 3SC 2H 4PO 3H)] ( 2) and [Ba 2(O 3SC 2H 4PO 3H) 2] ( 3), have been synthesized by hydrothermal reactions. They represent the first structurally characterized alkaline-earth metal complexes of phosphonic acid attached with a sulfonate group. The structure of compound 1 features a 2D layer based on 1D chains of [Ca 2(PO 3) 2] bridged by -CH 2-CH 2-SO 3- groups. Compounds 2 and 3 show pillar-layer architecture based on two different inorganic layers linked by -CH 2-CH 2- groups. The inorganic layer in compound 2 features a 1D chain of edge-sharing SrO 8 polyhedra whereas that in compound 3 features an edge-sharing Ba 2O 14 di-polyhedral unit which is further corner-shared with four neighboring ones. The [O 3S-C 2H 4-PO 3H] 2- ligand shows diverse coordination modes in the three alkaline-earth metal sulfonate-phosphonates.

  5. Removal of toxic and alkali/alkaline earth metals during co-thermal treatment of two types of MSWI fly ashes in China.

    Science.gov (United States)

    Yu, Jie; Qiao, Yu; Jin, Limei; Ma, Chuan; Paterson, Nigel; Sun, Lushi

    2015-12-01

    This study aims to vaporize heavy metals and alkali/alkaline earth metals from two different types of fly ashes by thermal treatment method. Fly ash from a fluidized bed incinerator (HK fly ash) was mixed with one from a grate incinerator (HS fly ash) in various proportions and thermally treated under different temperatures. The melting of HS fly ash was avoided when treated with HK fly ash. Alkali/alkaline earth metals in HS fly ash served as Cl-donors to promote the vaporization of heavy metals during thermal treatment. With temperature increasing from 800 to 900°C, significant amounts of Cl, Na and K were vaporized. Up to 1000°C in air, less than 3% of Cl and Na and less than 5% of K were retained in ash. Under all conditions, Cd can be vaporized effectively. The vaporization of Pb was mildly improved when treated with HS fly ash, while the effect became less pronounced above 900°C. Alkali/alkaline earth metals can promote Cu vaporization by forming copper chlorides. Comparatively, Zn vaporization was low and only slightly improved by HS fly ash. The low vaporization of Zn could be caused by the formation of Zn2SiO4, ZnFe2O4 and ZnAl2O4. Under all conditions, less than 20% of Cr was vaporized. In a reductive atmosphere, the vaporization of Cd and Pb were as high as that in oxidative atmosphere. However, the vaporization of Zn was accelerated and that of Cu was hindered because the formation of Zn2SiO4, ZnFe2O4 and ZnAl2O4 and copper chloride was depressed in reductive atmosphere. Copyright © 2015. Published by Elsevier Ltd.

  6. Origin of low sodium capacity in graphite and generally weak substrate binding of Na and Mg among alkali and alkaline earth metals.

    Science.gov (United States)

    Liu, Yuanyue; Merinov, Boris V; Goddard, William A

    2016-04-05

    It is well known that graphite has a low capacity for Na but a high capacity for other alkali metals. The growing interest in alternative cation batteries beyond Li makes it particularly important to elucidate the origin of this behavior, which is not well understood. In examining this question, we find a quite general phenomenon: among the alkali and alkaline earth metals, Na and Mg generally have the weakest chemical binding to a given substrate, compared with the other elements in the same column of the periodic table. We demonstrate this with quantum mechanics calculations for a wide range of substrate materials (not limited to C) covering a variety of structures and chemical compositions. The phenomenon arises from the competition between trends in the ionization energy and the ion-substrate coupling, down the columns of the periodic table. Consequently, the cathodic voltage for Na and Mg is expected to be lower than those for other metals in the same column. This generality provides a basis for analyzing the binding of alkali and alkaline earth metal atoms over a broad range of systems.

  7. Enhanced Electroresponse of Alkaline Earth Metal-Doped Silica/Titania Spheres by Synergetic Effect of Dispersion Stability and Dielectric Property.

    Science.gov (United States)

    Yoon, Chang-Min; Lee, Seungae; Cheong, Oug Jae; Jang, Jyongsik

    2015-09-02

    A series of alkaline earth metal-doped hollow SiO2/TiO2 spheres (EM-HST) are prepared as electrorheological (ER) materials via sonication-mediated etching method with various alkaline earth metal hydroxides as the etchant. The EM-HST spheres are assessed to determine how their hollow interior and metal-doping affects the ER activity. Both the dispersion stability and the dielectric properties of these materials are greatly enhanced by the proposed one-step etching method, which results in significant enhancement of ER activity. These improvements are attributed to increased particle mobility and interfacial polarization originating from the hollow nature of the EM-HST spheres and the effects of EM metal-doping. In particular, Ca-HST-based ER fluid exhibits ER performance which is 7.1-fold and 3.1-fold higher than those of nonhollow core/shell silica/titania (CS/ST) and undoped hollow silica/titania (HST)-based ER fluids, respectively. This study develops a versatile and simple approach to enhancing ER activity through synergetic effects arising from the combination of dispersion stability and the unique dielectric properties of hollow EM-HST spheres. In addition, the multigram scale production described in this experiment can be an excellent advantage for practical and commercial ER application.

  8. Structures, Thermochemical Properties, and Bonding of Mixed Alkaline-Earth-Metal Silicon Trimers Si3M(+/0/-) with M = Be, Mg, Ca.

    Science.gov (United States)

    Hang, Tran Dieu; Hung, Huynh Minh; Nguyen, Huyen Thi; Nguyen, Minh Tho

    2015-06-18

    The ground state geometries, electronic structures, and thermochemical properties of binary alkaline-earth-metal silicon clusters Si3M with M = Be, Mg, Ca in neutral, cationic, and anionic states were investigated using quantum chemical computations. Lowest-lying isomers of the clusters were determined on the basis of the composite G4 energies. Along with total atomization energies, thermochemical parameters were determined for the first time by means of the G4 and coupled-cluster theory with complete basis set CCSD(T)/CBS approaches. The most favored equilibrium formation sequences for Si3M clusters emerge as follows: all Si3M(+/0/-) clusters are formed by attaching the M atom into the corresponding cation, neutral and anion silicon trimer Si3(+/0/-), except for the Si3Mg(+) and Si3Ca(+) where the metal cations are bound to the neutral Si3. The resulting mixed tetramers exhibit geometrical and electronic features similar to those of the pure silicon tetramer Si4(+/0/-). Electron localization function (ELF) and ring current analyses point out that the σ-aromatic character of silicon tetramer remains unchanged upon substituting one Si atom by one alkaline-earth-metal atom.

  9. Dipole polarizability of alkali-metal (Na, K, Rb)–alkaline-earth-metal (Ca, Sr) polar molecules: Prospects for alignment

    Energy Technology Data Exchange (ETDEWEB)

    Gopakumar, Geetha, E-mail: geetha@tmu.ac.jp; Abe, Minori; Hada, Masahiko [Department of Chemistry, Tokyo Metropolitan University, 1-1 Minami-Osawa, Hachioji, Tokyo 192-0397 (Japan); JST, CREST, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan); Kajita, Masatoshi [National Institute of Information and Communications Technology, Koganei, Tokyo 184-8795 (Japan)

    2014-06-14

    Electronic open-shell ground-state properties of selected alkali-metal–alkaline-earth-metal polar molecules are investigated. We determine potential energy curves of the {sup 2}Σ{sup +} ground state at the coupled-cluster singles and doubles with partial triples (CCSD(T)) level of electron correlation. Calculated spectroscopic constants for the isotopes ({sup 23}Na, {sup 39}K, {sup 85}Rb)–({sup 40}Ca, {sup 88}Sr) are compared with available theoretical and experimental results. The variation of the permanent dipole moment (PDM), average dipole polarizability, and polarizability anisotropy with internuclear distance is determined using finite-field perturbation theory at the CCSD(T) level. Owing to moderate PDM (KCa: 1.67 D, RbCa: 1.75 D, KSr: 1.27 D, RbSr: 1.41 D) and large polarizability anisotropy (KCa: 566 a.u., RbCa: 604 a.u., KSr: 574 a.u., RbSr: 615 a.u.), KCa, RbCa, KSr, and RbSr are potential candidates for alignment and orientation in combined intense laser and external static electric fields.

  10. Transient compounds of high alkaline earth metals with custom-made organic ligands as potential precursors for the gas phase separator of high temperature ceramic superconductors

    International Nuclear Information System (INIS)

    Teske, M.

    1993-01-01

    The aim of this work was the representation of new transient custom-made metal/organic compounds of the high alkaline earth metals Ca, Sr and Ba as potential precursors for the gas phase separation (chemical vapour deposition, CVD) of high temperature ceramic superconductors. There is a report on the synthesis and comprehensive characterisation of representatives of the class of compounds of substituted metallocenes and the B diketone compounds of these metals. Some selected compounds were examined as regards their suitability for CVD. The main task was the examination of the effect of structural and electronic parameters of ligands on the properties of the compounds, where the volatility was to the fore. (orig./MM) [de

  11. Synthesis of monomeric and polymeric alkali and alkaline earth ...

    Indian Academy of Sciences (India)

    5, September 2014, pp. 1463–1475. c Indian Academy of Sciences. Synthesis of monomeric and polymeric alkali and alkaline earth metal complexes using a phosphinoselenoic amide ligand in metal coordination sphere. JAYEETA BHATTACHARJEE, RAVI K KOTTALANKA, HARINATH ADIMULAM and TARUN K PANDA.

  12. Method of cleaning alkaline metal

    International Nuclear Information System (INIS)

    Kawakami, Yukio; Naito, Kesahiro; Iizawa, Katsuyuki; Nakasuji, Takashi

    1981-01-01

    Purpose: To prevent scattering of used sodium and aqueous alkaline solution when cleaning used sodium and metallic sodium adhering to equipment with an aqueous alkaline solution. Method: A sodium treating container is filled with an aqueous alkaline solution, and stainless steel gauze is sunk in the container. Equipment to be cleaned such as equipment with sodium adhering to it are retained under the gauze and are thus cleaned. On the other hand, the surface of the aqueous alkaline solution is covered with a fluid paraffin liquid covering material. Thus, the hydrogen produced by the reaction of the sodium and the aqueous alkaline solution will float up, pass through the liquid covering material and be discharged. The sodium will pass through the gauze and float upwardly while reacting with the aqueous alkaline solution in a partic ulate state to the boundary between the aqueous alkaline solution and up to the covering material, and thus the theratment reaction will continue. Thus, the cover material prevents the sodium and the aqueous alkaline solution from scattering. (Kamimura, M.)

  13. Indirect ultraviolet detection of alkaline earth metal ions using an imidazolium ionic liquid as an ultraviolet absorption reagent in ion chromatography.

    Science.gov (United States)

    Liu, Yong-Qiang; Yu, Hong

    2017-04-01

    A convenient and versatile method was developed for the separation and detection of alkaline earth metal ions by ion chromatography with indirect UV detection. The chromatographic separation of Mg 2+ , Ca 2+ , and Sr 2+ was performed on a carboxylic acid base cation exchange column using imidazolium ionic liquid/acid as the mobile phase, in which the imidazolium ionic liquid acted as an UV-absorption reagent. The effects of imidazolium ionic liquids, detection wavelength, acids in the mobile phase, and column temperature on the retention of Mg 2+ , Ca 2+ , and Sr 2+ were investigated. The main factors influencing the separation and detection were the background UV absorption reagent and the concentration of hydrogen ion in ion chromatography with indirect UV detection. The successful separation and detection of Mg 2+ , Ca 2+ , and Sr 2+ within 14 min were achieved using the selected chromatographic conditions, and the detection limits (S/N = 3) were 0.06, 0.12, and 0.23 mg/L, respectively. A new separation and detection method of alkaline earth metal ions by ion chromatography with indirect UV detection was developed, and the application range of ionic liquids was expanded. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Optical properties of alkaline earth borate glasses | Rao ...

    African Journals Online (AJOL)

    Borate glasses containing fixed concentrations of heavy metal oxides (MO= ZnO, PbO, TeO2, Bi2O3) and alkaline earth oxides (R= Mg, Ca, Sr, Ba) are prepared by melt quenching technique. The optical band gap values are estimated from the optical absorption spectra using absorption spectrum fitting (ASF) method.

  15. The coordination complex structures and hydrogen bonding in the three-dimensional alkaline earth metal salts (Mg, Ca, Sr and Ba) of (4-aminophenyl)arsonic acid.

    Science.gov (United States)

    Smith, Graham; Wermuth, Urs D

    2017-01-01

    (4-Aminophenyl)arsonic acid (p-arsanilic acid) is used as an antihelminth in veterinary applications and was earlier used in the monosodium salt dihydrate form as the antisyphilitic drug atoxyl. Examples of complexes with this acid are rare. The structures of the alkaline earth metal (Mg, Ca, Sr and Ba) complexes with (4-aminophenyl)arsonic acid (p-arsanilic acid) have been determined, viz. hexaaquamagnesium bis[hydrogen (4-aminophenyl)arsonate] tetrahydrate, [Mg(H 2 O) 6 ](C 6 H 7 AsNO 3 )·4H 2 O, (I), catena-poly[[[diaquacalcium]-bis[μ 2 -hydrogen (4-aminophenyl)arsonato-κ 2 O:O']-[diaquacalcium]-bis[μ 2 -hydrogen (4-aminophenyl)arsonato-κ 2 O:O

  16. Mechanochemical synthesis, structure and properties of lead containing alkaline earth metal fluoride solid solutions MxPb1-xF2 (M = Ca, Sr, Ba)

    Science.gov (United States)

    Heise, M.; Scholz, G.; Düvel, A.; Heitjans, P.; Kemnitz, E.

    2018-03-01

    The paper deals with the mechanochemical synthesis of lead containing alkaline earth metal fluoride solid solutions MxPb1-xF2 (M = Ca, Sr, Ba) by high-energy ball milling. Several metal precursors and fluorinating agents were tested for synthesizing M0.5Pb0.5F2. Metal acetates and ammonium fluoride as precursors show the most promising results and were therefore used for the formation of MxPb1-xF2 with different metal cationic ratios. The characterization of the local fluorine coordination and the crystal structure was performed by 19F MAS NMR spectroscopy and X-ray diffraction. Additional calculations of 19F chemical shifts using the superposition model allow a deeper insight into the local structure of the compounds. The fluoride ion conductivity was followed by temperature dependent DC conductivity measurements. Significantly higher conductivities were found in comparison with those of the corresponding binary fluorides. The highest values were observed for samples with high lead content M0.25Pb0.75F2, bearing in mind the much higher conductivity of PbF2 compared to MF2.

  17. Viscosity of Molten Alkaline-Earth Fluorides

    Science.gov (United States)

    Takeda, Osamu; Hoshino, Yosuke; Anbo, Yusuke; Yanagase, Kei-ichi; Aono, Masahiro; Sato, Yuzuru

    2015-04-01

    The viscosities of molten alkaline-earth fluorides were measured using the oscillating crucible method, which is especially suitable for measuring molten salts with low viscosity. The results showed a good Arrhenius linearity over a wide temperature range. The measured viscosities and activation energies increased in the following order: . Judging by the charge density, the viscosity of alkaline-earth fluorides should increase from molten to . However, the results indicate a different tendency, which may be explained by a Coulomb force that is very strong. The low viscosity of can be attributed to a decreased cohesive force, due to a partial loss of the Coulomb force caused by a higher charge density of the material. The viscosities were also compared to those of molten alkali fluorides and alkaline-earth chlorides. The viscosities of molten alkaline-earth fluorides were higher than those of molten alkali fluorides and alkaline-earth chlorides. The viscosity determined in this study was compared to literature values and showed a reasonable value in the relatively low-viscosity region.

  18. Hydroxylated derivatives of dimethoxy-1,4-benzoquinone as redox switchable earth-alkaline metal ligands and radical scavengers

    OpenAIRE

    Gulaboski, Rubin; Bogeski, Ivan; Mirceski, Valentin; Saul, Stephanie; Pasieka, Bastian; Haeri, Haleh H.; Stefova, Marina; Petreska Stanoeva, Jasmina; Mitrev, Sasa; Hoth, Markus; Kappl, Reinhard

    2013-01-01

    Benzoquinones (BQ) have important functions in many biological processes. In alkaline environments, BQs can be hydroxylated at quinoid ring proton positions. Very little is known about the chemical reaction leading to these structural transformations as well as about the properties of the obtained hydroxyl benzoquinones. We analyzed the behavior of the naturally occurring 2,6-dimethoxy-1,4-benzoquinone under alkaline conditions and show that upon substitution of methoxy-groups, poly-hydroxyl-...

  19. Nature of the chemical bond between metal atoms and oxide surfaces: new evidences from spin density studies of K atoms on alkaline earth oxides.

    Science.gov (United States)

    Chiesa, Mario; Giamello, Elio; Di Valentin, Cristiana; Pacchioni, Gianfranco; Sojka, Zbigniew; Van Doorslaer, Sabine

    2005-12-07

    We have studied the interaction of K atoms with the surface of polycrystalline alkaline-earth metal oxides (MgO, CaO, SrO) by means of CW- and Pulsed-EPR, UV-Vis-NIR spectroscopies and DFT cluster model calculations. The K adsorption site is proposed to be an anionic reverse corner formed at the intersection of two steps, where K binds by more than 1 eV, resulting in thermally stable species up to about 400 K. The bonding has small covalent and large polarization contributions, and the K atom remains neutral, with one unpaired electron in the valence shell. The interaction results in strong modifications of the K electronic wave function which are directly reflected by the hyperfine coupling constant, (K)a(iso). This is found to be a very efficient "probe" to measure the degree of metal-oxide interaction which directly depends on the substrate basicity. These results provide an original and general model of the early stages of the metal-support interaction in the case of ionic oxides.

  20. Alkaline earth filled nickel skutterudite antimonide thermoelectrics

    Science.gov (United States)

    Singh, David Joseph

    2013-07-16

    A thermoelectric material including a body centered cubic filled skutterudite having the formula A.sub.xFe.sub.yNi.sub.zSb.sub.12, where A is an alkaline earth element, x is no more than approximately 1.0, and the sum of y and z is approximately equal to 4.0. The alkaline earth element includes guest atoms selected from the group consisting of Be, Mb, Ca, Sr, Ba, Ra and combinations thereof. The filled skutterudite is shown to have properties suitable for a wide variety of thermoelectric applications.

  1. Syntheses and characterization of energetic compounds constructed from alkaline earth metal cations (Sr and Ba) and 1,2-bis(tetrazol-5-yl)ethane

    International Nuclear Information System (INIS)

    Xia Zhengqiang; Chen Sanping; Wei Qing; Qiao Chengfang

    2011-01-01

    Two new energetic compounds, [M(BTE)(H 2 O) 5 ] n (M=Sr(1), Ba(2)) [H 2 BTE=1,2-bis(tetrazol-5-yl)ethane], have been hydrothermally synthesized and structurally characterized. Single-crystal X-ray diffraction analyses reveal that they are isomorphous and exhibit 2D (4,4) net framework, generated by 4-connected Sr 2 (H 2 O) 10 /Ba 2 (H 2 O) 10 SBUs linked up by two independent binding modes of H 2 BTE, and the resulting 2D structure is interconnected by hydrogen-bond and strong face to face π-π stacking interactions between two tetrazole rings to lead to a 3D supramolecular architecture. DSC measurements show that they have significant catalytic effects on thermal decomposition of ammonium perchlorate. Moreover, the photoluminescence properties, thermogravimetric analyses, and flame colors of the as-prepared compounds are also investigated in this paper. - Graphical abstract: Two novel 2D isomorphous alkaline earth metal complexes were assembled by 4-connected Sr 2 (H 2 O) 10 /Ba 2 (H 2 O) 10 SBUs and two independent binding modes of H 2 BTE ligands, and the catalytic performances toward thermal decomposition of ammonium perchlorate and photoluminescent properties of them were investigated. Highlights: → Two novel alkaline earth energetic coordination polymers have been prepared.→ Both structures are layered based on 4-connected Sr 2 (H 2 O) 10 /Ba 2 (H 2 O) 10 SBUs and two distinct H 2 BTE coordination modes.→ The dehydrated products of the compounds possess good thermostability and significant catalytic effects on thermal decomposition of AP.

  2. Study of absorption spectra for alkali and alkaline earth metal salts in flameless atomic absorption spectrometry using a carbon tube atomizer

    International Nuclear Information System (INIS)

    Yasuda, Seiji; Kakiyama, Hitoo

    1975-01-01

    Absorption spectra of various salts such as alkali metal salts, alkaline earth dichlorides, and ammonium halides were investigated and absorptions of some molecular species produced in the carbon tube were identified. The aqueous solution (20 μl) containing 1.0 mg/ml of each salt was placed in the carbon tube atomizer and heated in a similar manner to usual flameless atomic absorption method. D 2 -lamp was used as a continuous light source and argon gas was employed as an inert sheath gas. The spectra were obtained over the range of wavelength 200 to 350 nm. When alkali halides were feeded, the absorption spectra agreed with those of alkali halide vapors. Therefore, in such cases vapors of the alkali halides were probably produced by the sublimation or vaporization in the atomizer. The spectra of alkali perchlorates were considered to be those of alkali chlorides produced by the pyrolysis of the perchlorates in the atomizer. The absorptions of alkaline earth chlorides below 250 nm were probably due to their gaseous states. Sulfur dioxide was found to be produced by the pyrolysis of alkali sulfates, bisulfates and sulfites in the atomizer, Alkali phosphates and pyrophosphates gave almost identical spectra below 300 nm. Gamma band spectrum of nitrogen monoxide was observed from 200 to 240 nm during ashing at bout 330 0 C for alkali nitrates and nitrites. Ammonia vapor was produced from ammonium halides during drying at about 170 0 C. Although the absorptions of alkali carbonates and hydroxides were almost undetectable, the same spectra as those of alkali halides were observed by the addition of ammonium halides to the solutions of alkali compounds. This shows that alkali halides are produced in the atomizer by the addition of halide ions. (auth.)

  3. Absorption spectroscopy of heavy alkaline earth metals Ba and Sr in rare gas matrices--CCSD(T) calculations and atomic site occupancies.

    Science.gov (United States)

    Davis, Barry M; McCaffrey, John G

    2016-01-28

    Isolation of the heavier alkaline earth metals Ba and Sr in the solid rare gases (RGs) Ar, Kr, and Xe is analysed with absorption spectroscopy and interpreted partly with the assistance of ab initio calculations of the diatomic M ⋅ RG ground state interaction potentials. The y(1)P ← a(1)S resonance transitions in the visible spectral region are used to compare the isolation conditions of these two metal atom systems and calcium. Complex absorption bands were recorded in all three metal atom systems even after extensive sample annealing. Coupled cluster calculations conducted on the ground states of the nine M ⋅ RG diatomics (M = Ca, Sr, and Ba; RG = Ar, Kr, and Xe) at the coupled cluster single, double, and non-iterative triple level of theory revealed long bond lengths (>5 Å) and shallow bound regions (rare gas dimers, with the consequence that isolation of these metal atoms in a single substitutional site of the solid rare gas is unlikely, with the possible exception of Ca/Xe. The luminescence of metal dimer bands has been recorded for Ba and Sr revealing very different behaviours. Resonance fluorescence with a lifetime of 15 ns is observed for the lowest energy transition of Sr2 while this transition is quenched in Ba2. This behaviour is consistent with the absence of vibrational structure on the dimer absorption band in Ba2 indicating lifetime broadening arising from efficient relaxation to low-lying molecular states. More extensive 2D excitation-emission data recorded for the complex site structures present on the absorption bands of the atomic Ba and Sr systems will be presented in future publications.

  4. Optical properties of alkaline earth borate glasses

    African Journals Online (AJOL)

    user

    applications in the field of optical fibers, optoelectronic devices; radiation shields, surgical lasers and their glass ceramic counter parts have wide range of applications (Rajasree et al., 2011; Sharma et al., 2007, Limkitjaroenporn et al., 2010). Boric acid. (H3BO3) form stable glasses with alkaline earth oxides (R= MgO, CaO, ...

  5. Thermal stability of the anionic sigma complexes of 2,4,6-trinitroanisole with the methylates of the alkaline-earth metals

    Energy Technology Data Exchange (ETDEWEB)

    Glaz, A.I.; Soldatova, T.A.; Golopolosova, T.V.; Gitis, S.S.

    1987-09-10

    The study of the stability of the 1,1-dimethoxy-2,4,6-trinitrocyclohexadienates of the alkali metals when they are heated in air showed that their temperature of decomposition and the heat effect of the process are dependent on the nature of the cation. Our study centered on the thermal decomposition of the products resulting from the addition of the methylates of calcium, strontium, and barium to 2,4,6-trinitroanisole. For a quantitative assessment of the process we used the combined methods of differential-thermal analysis and differential thermogravimetry. The anionic sigma-complexes of 2,4,6-trinitroanisole with the methylates of the alkaline-earth metals decompose on heating into the corresponding picrates; at the same time, when one passes from the calcium slat to the strontium and barium salts the decomposition temperature and the heat effect of the process show a drop which is linked to the structure both of the complexes and of the picrates forming therefrom.

  6. Fundamental mechanisms of oxidation of alkaline earth-bearing metal precursors: yttrium-barium-copper-silver-palladium and silver bariate

    Science.gov (United States)

    Sitaraman, Vilayannur R.

    Noble-metal-bearing metallic precursors can be selectively oxidized to yield oxide/noble metal composites. This processing method is investigated for producing 123/Ag-Pd laminates from a solid metallic Y-Ba-Cu-Ag-Pd precursor. A unique feature heretofore unnoticed is the external oxidation mechanism of Ba. The extent of external oxidation at 840C in a 3%H2-Ar atmosphere (PO2 ˜ 10-19 atm.) as measured by a segregation factor, is higher for Ba than for Y. Combined with the fact that Ba does not have significant solid solubility in Ag, Cu or Pd, this means that a short circuit transport path is possible for transport of Ba through such metals as described in chapter 1. Since diffusion through grain boundaries, is fast, the effective permeability of Ba can be relatively high even though its solubility is low. This proposed mechanism is proven using a model system, the Ag5Ba intermetallic compound. Both internal and external oxidation has been demonstrated in this material. Grain boundary diffusion is demonstrated using Ag clad Ag 5Ba. Due to a change in the mechanism from external to internal oxidation of Y in Y-Ba-Cu-Ag-Pd alloys, the imbalance in the surface stoichiometry caused by Ba segregation is not easily removed. A mechanism proposed by Meijering for copper oxide dissolution, Cu migration and Cu reoxidation at the outer surface is also consistent with the microstructural observations in oxidized Y-Ba-Cu-Ag-Pd specimens.

  7. Hydrogen and syngas production by catalytic gasification of algal biomass (Cladophora glomerata L.) using alkali and alkaline-earth metals compounds.

    Science.gov (United States)

    Ebadi, Abdol Ghaffar; Hisoriev, Hikmat; Zarnegar, Mohammad; Ahmadi, Hamed

    2018-01-02

    The steam gasification of algal biomass (Cladophora glomerata L.) in presence of alkali and alkaline-earth metal compounds catalysts was studied to enhance the yield of syngas and reduce its tar content through cracking and reforming of condensable fractions. The commercial catalysts used include NaOH, KHCO 3 , Na 3 PO 4 and MgO. The gasification runs carried out with a research scale, biomass gasification unit, show that the NaOH has a strong potential for production of hydrogen, along with the added advantages of char converting and tar destruction, allowing enhancement of produced syngas caloric value. When the temperature increased from 700°C to 900°C, the tar content in the gas sharply decreased, while the hydrogen yield increased. Increasing steam/biomass ratio significantly increased hydrogen yield and tar destruction; however, the particle size in the range of 0.5-2.5 mm played a minor role in the process.

  8. The Electronic Structures and Optical Properties of Alkaline-Earth Metals Doped Anatase TiO2: A Comparative Study of Screened Hybrid Functional and Generalized Gradient Approximation

    Directory of Open Access Journals (Sweden)

    Jin-Gang Ma

    2015-08-01

    Full Text Available Alkaline-earth metallic dopant can improve the performance of anatase TiO2 in photocatalysis and solar cells. Aiming to understand doping mechanisms, the dopant formation energies, electronic structures, and optical properties for Be, Mg, Ca, Sr, and Ba doped anatase TiO2 are investigated by using density functional theory calculations with the HSE06 and PBE functionals. By combining our results with those of previous studies, the HSE06 functional provides a better description of electronic structures. The calculated formation energies indicate that the substitution of a lattice Ti with an AEM atom is energetically favorable under O-rich growth conditions. The electronic structures suggest that, AEM dopants shift the valence bands (VBs to higher energy, and the dopant-state energies for the cases of Ca, Sr, and Ba are quite higher than Fermi levels, while the Be and Mg dopants result into the spin polarized gap states near the top of VBs. The components of VBs and dopant-states support that the AEM dopants are active in inter-band transitions with lower energy excitations. As to optical properties, Ca/Sr/Ba are more effective than Be/Mg to enhance absorbance in visible region, but the Be/Mg are superior to Ca/Sr/Ba for the absorbance improvement in near-IR region.

  9. Photolysis of alkaline-earth nitrates

    Science.gov (United States)

    Kriger, L. D.; Miklin, M. B.; Dyagileva, E. P.; Anan'ev, V. A.

    2013-02-01

    Peroxynitrite and nitrite ions are the diamagnetic products of photolysis (with light at a wavelength of 253.7 nm) of alkaline-earth nitrates; the paramagnetic products and hydrogen peroxide were not found. The structural water in alkaline-earth nitrate crystals did not affect the qualitative composition of the photodecomposition products. The quantum yield of nitrite ions was 0.0012, 0.0038, 0.0078, and 0.0091 quanta-1 and that of peroxynitrite ions was 0.0070, 0.0107, 0.0286, and 0.0407 quanta-1 for Sr(NO3)2, Ba(NO3)2, Ca(NO3)2 · 4H2O, and Mg(NO3)2 · 6H2O, respectively.

  10. Surprisingly Different Reaction Behavior of Alkali and Alkaline Earth Metal Bis(trimethylsilyl)amides toward Bulky N-(2-Pyridylethyl)-N'-(2,6-diisopropylphenyl)pivalamidine.

    Science.gov (United States)

    Kalden, Diana; Oberheide, Ansgar; Loh, Claas; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias

    2016-07-25

    N-(2,6-Diisopropylphenyl)-N'-(2-pyridylethyl)pivalamidine (Dipp-N=C(tBu)-N(H)-C2 H4 -Py) (1), reacts with metalation reagents of lithium, magnesium, calcium, and strontium to give the corresponding pivalamidinates [(tmeda)Li{Dipp-N=C(tBu)-N-C2 H4 -Py}] (6), [Mg{Dipp-N=C(tBu)-N-C2 H4 -Py}2 ] (3), and heteroleptic [{(Me3 Si)2 N}Ae{Dipp-N=C(tBu)-N-C2 H4 -Py}], with Ae being Ca (2 a) and Sr (2 b). In contrast to this straightforward deprotonation of the amidine units, the reaction of 1 with the bis(trimethylsilyl)amides of sodium or potassium unexpectedly leads to a β-metalation and an immediate deamidation reaction yielding [(thf)2 Na{Dipp-N=C(tBu)-N(H)}] (4 a) or [(thf)2 K{Dipp-N=C(tBu)-N(H)}] (4 b), respectively, as well as 2-vinylpyridine in both cases. The lithium derivative shows a similar reaction behavior to the alkaline earth metal congeners, underlining the diagonal relationship in the periodic table. Protonation of 4 a or the metathesis reaction of 4 b with CaI2 in tetrahydrofuran yields N-(2,6-diisopropylphenyl)pivalamidine (Dipp-N=C(tBu)-NH2 ) (5), or [(thf)4 Ca{Dipp-N=C(tBu)-N(H)}2 ] (7), respectively. The reaction of AN(SiMe3 )2 (A=Na, K) with less bulky formamidine Dipp-N=C(H)-N(H)-C2 H4 -Py (8) leads to deprotonation of the amidine functionality, and [(thf)Na{Dipp-N=C(H)-N-C2 H4 -Py}]2 (9 a) or [(thf)K{Dipp-N=C(H)-N-C2 H4 -Py}]2 (9 b), respectively, are isolated as dinuclear complexes. From these experiments it is obvious, that β-metalation/deamidation of N-(2-pyridylethyl)amidines requires bases with soft metal ions and also steric pressure. The isomeric forms of all compounds are verified by single-crystal X-ray structure analysis and are maintained in solution. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Kinetic study of the α-tocopherol-regeneration reaction of ubiquinol-10 in methanol and acetonitrile solutions: notable effect of the alkali and alkaline earth metal salts on the reaction rates.

    Science.gov (United States)

    Mukai, Kazuo; Oi, Masanori; Ouchi, Aya; Nagaoka, Shin-ichi

    2012-03-01

    A kinetic study of regeneration reaction of α-tocopherol (α-TocH) by ubiquinol-10 has been performed in the presence of four kinds of alkali and alkaline earth metal salts (LiClO(4), NaClO(4), NaI, and Mg(ClO(4))(2)) in methanol and acetonitrile solutions, using double-mixing stopped-flow spectrophotometry. The second-order rate constants (k(r)'s) for the reaction of α-tocopheroxyl (α-Toc•) radical with ubiquinol-10 increased and decreased notably with increasing concentrations of metal salts in methanol and acetonitrile, respectively. The k(r) values increased in the order of no metal salt NaClO(4) ~ NaI > LiClO(4) > Mg(ClO(4))(2) at the same concentration of metal salts. The metal salts having a smaller ionic radius of cation and a larger charge of cation gave a larger k(r) value in methanol, and a smaller k(r) value in acetonitrile. The effect of anion was almost negligible in both the solvents. Notable effects of metal cations on the UV-vis absorption spectrum of α-Toc• radical were observed in aprotic acetonitrile solution, suggesting complex formation between α-Toc• and metal cations. On the other hand, effects of metal cations were negligible in protic methanol, suggesting that the complex formation between α-Toc• and metal cations is hindered by the hydrogen bond between α-Toc• and methanol molecules. The difference between the reaction mechanisms in methanol and acetonitrile solutions was discussed on the basis of the results obtained. High concentrations of alkali and alkaline earth metal salts coexist with α-TocH and ubiquinol-10 in plasma, blood, and many tissues, suggesting the contribution of the metal salts to the above regeneration reaction in biological systems.

  12. Kinetic study of the aroxyl radical-scavenging reaction of alpha-tocopherol in methanol solution: notable effect of the alkali and alkaline earth metal salts on the reaction rates.

    Science.gov (United States)

    Ouchi, Aya; Nagaoka, Shin-ichi; Abe, Kouichi; Mukai, Kazuo

    2009-10-08

    A kinetic study of the aroxyl (ArO*) radical-scavenging reaction of alpha-tocopherol (alpha-TocH) has been performed in the presence of six kinds of alkali and alkaline earth metal salts (LiI, LiClO(4), NaI, NaClO(4), KI, and Mg(ClO(4))(2)) in methanol solution, using stopped-flow spectrophotometry. The decay rate of the ArO* for the reaction of alpha-TocH with ArO* increased linearly with increasing concentration of metal salts. The second-order rate constants (k(s)) for the reaction of alpha-TocH with ArO* increased in the order of no metal salt concentration of metal salts. For example, the k(s) values in methanol solution including 4.00 x 10(-1) M of LiI and Mg(ClO(4))(2) were 3.04 and 1.30 times larger than that in the absence of metal salts, respectively. The alkali and alkaline earth metal salts having smaller ionic radius of cation and anion and larger charge of cation gave larger rate constants (k(s)). Effects of metal cations on the UV-vis absorption spectra of the alpha-Toc* (and ArO*) radical were negligible in methanol solution, suggesting that the complex formation between the alpha-Toc* (and ArO*) radical molecule and metal cations is hindered by the hydrogen bond between radical and methanol molecules. The results indicate that the hydrogen transfer reaction of alpha-TocH proceeds via an electron transfer intermediate from alpha-TocH to ArO* radicals followed by proton transfer. Both the coordinations of metal cations to the one-electron reduced anions of ArO* (ArO: (-)) and of counteranions to the one-electron oxidized cations of alpha-TocH (alpha-TocH(+)*) may stabilize the intermediate, resulting in the acceleration of electron transfer. On the other hand, the effect of metal salts on the rate of bimolecular self-reaction (2k(d)) of the alpha-Toc* radical was not observed. The result suggests that the hydrogen transfer reaction between two alpha-Toc* radical molecules proceeds via a one-step hydrogen atom transfer mechanism rather than via an

  13. Spectroscopic characterization of alkaline earth uranyl carbonates

    International Nuclear Information System (INIS)

    Amayri, Samer; Reich, Tobias; Arnold, Thuro; Geipel, Gerhard; Bernhard, Gert

    2005-01-01

    A series of alkaline uranyl carbonates, M[UO 2 (CO 3 ) 3 ].nH 2 O (M=Mg 2 , Ca 2 , Sr 2 , Ba 2 , Na 2 Ca, and CaMg) was synthesized and characterized by inductively coupled plasma mass spectrometry (ICP-MS) and atomic absorption spectrometry (AAS) after nitric acid digestion, X-ray powder diffraction (XRD), and thermal analysis (TGA/DTA). The molecular structure of these compounds was characterized by extended X-ray absorption fine-structure (EXAFS) spectroscopy and X-ray photoelectron spectroscopy (XPS). Crystalline Ba 2 [UO 2 (CO 3 ) 3 ].6H 2 O was obtained for the first time. The EXAFS analysis showed that this compound consists of (UO 2 )(CO 3 ) 3 clusters similar to the other alkaline earth uranyl carbonates. The average U-Ba distance is 3.90+/-0.02A.Fluorescence wavelengths and life times were measured using time-resolved laser-induced fluorescence spectroscopy (TRLFS). The U-O bond distances determined by EXAFS, TRLFS, XPS, and Raman spectroscopy agree within the experimental uncertainties. The spectroscopic signatures observed could be useful for identifying uranyl carbonate species adsorbed on mineral surfaces

  14. Retention of alkaline earth elements in man

    International Nuclear Information System (INIS)

    Newton, D.

    1990-06-01

    The data on human metabolism and long-term retention of alkaline earth elements ( 133 Ba injected into six healthy male volunteers at age 25-81 y and 45 Ca and 85 Sr received by one healthy male volunteer) are presented. Excreta were collected for 2-3 weeks after injection of the tracer into an antecubital vein. Activity in urine, ashed faeces and early samples of blood plasma was determined by gamma-ray scintillation spectrometry. Whole body retention has been assessed through serial measurements of body radioactivity. The injected 133 Ba apparently became mainly skeletal within several days, much earlier than predicted by the ICRP model. The whole-body retention at 32 d ranged from 5 to 14%, the rate of loss correlating with the excretory plasma clearance rate. No age-related trends were identified in the metabolism of Ca and Sr. 2 refs, 2 figs

  15. On the crystal chemistry of alkaline earth- and rare earth-oxocobaltates

    Energy Technology Data Exchange (ETDEWEB)

    Mueller-Buschbaum, Hanskarl [Institut fuer Anorganische Chemie, Christian-Alberts-Universitaet Kiel (Germany)

    2013-12-15

    A review on the crystal chemistry of oxocobaltates of alkaline earth and rare earth metals is presented according to the formula of the compounds, based on increasing metal and oxygen content. The well-known structures of perowskites and K{sub 2}NiF{sub 4}-type compounds and their higher homologues have been ignored and cross-referred to older publications. Cobalt shows mainly the oxidation states Co{sup 2+} and Co{sup 3+}. In many cases it exhibits integer valences like Co{sup 2.28+}, Co{sup 2.5+}, Co{sup 2.54+}, Co{sup 2.8+}, Co{sup 3.5}, and Co{sup 3.6+}, referred in the ICSD database. The dominant coordination polyhedra are CoO{sub 4}-tetrahedra and CoO{sub 6}-oktahedra. In two cases a trigonal prismatic CoO{sub 6}-coordination is observed. Composition, crystal structure, and oxidation state of cobalt often depend on the preparation conditions. In contrast to the alkaline oxides, the alkaline earth and rare earth oxides used for preparations are less reactive. Therefore the necessary reaction temperatures are much higher. In these cases single crystals for X-ray investigation were prepared by plasma-burner and CO{sub 2}-LASER techniques. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  16. {sup 1}H and {sup 23}Na MAS NMR spectroscopy of cationic species in CO{sub 2} selective alkaline earth metal porous silicoaluminophosphates prepared via liquid and solid state ion exchange

    Energy Technology Data Exchange (ETDEWEB)

    Arevalo-Hidalgo, Ana G. [Department of Chemical Engineering, University of Puerto Rico-Mayagueez Campus, Mayagueez, PR 00681-9000 (Puerto Rico); Dugar, Sneha; Fu, Riqiang [National High Magnetic Field Laboratory, Florida State University, Tallahassee, FL 32310 (United States); Hernandez-Maldonado, Arturo J., E-mail: arturoj.hernandez@upr.edu [Department of Chemical Engineering, University of Puerto Rico-Mayagueez Campus, Mayagueez, PR 00681-9000 (Puerto Rico)

    2012-07-15

    The location of extraframework cations in Sr{sup 2+} and Ba{sup 2+} ion-exchanged SAPO-34 was estimated by means of {sup 1}H and {sup 23}Na MAS NMR spectroscopy and spectral deconvolution. Incorporation of the alkaline earth metal cations onto the SAPO framework was achieved via liquid state ion exchange, coupled partial detemplation/solid-state ion exchange, and combination of both techniques. MAS NMR revealed that the level of ion exchange was limited by the presence of protons and sodium cations near hexagonal prisms (site SI), which are relatively difficult to exchange with the alkaline earth metal due to steric and charge repulsion criteria. In addition, the presence of ammonium cations in the supercages facilitated the exchange of otherwise tenacious hydrogen as corroborated by unit cell compositional data as well as enhanced CO{sub 2} adsorption at low partial pressures. The extraframework ammonium species were produced from partial detemplation of the structure-directing agent employed for the SAPO-34 synthesis, tetraethylammonium. - Graphical abstract: MAS NMR was used to elucidate the position the cationic species in alkaline earth metal exchanged silicoaluminophosphates. These species played a significant role during the ion exchange process and, therefore, the materials ultimate CO{sub 2} adsorption performance. Highlights: Black-Right-Pointing-Pointer Location of extraframework Sr{sup 2+} or Ba{sup 2+} cations was estimated by means of {sup 1}H and {sup 23}Na MAS NMR. Black-Right-Pointing-Pointer Level of Sr{sup 2+} or Ba{sup 2+} ion exchange was limited by the presence of protons and sodium cations. Black-Right-Pointing-Pointer Presence of ammonium cations in the supercages facilitated the exchange. Black-Right-Pointing-Pointer Sr{sup 2+} and Ba{sup 2+} ion exchanged SAPOs are outstanding CO{sub 2} adsorbents.

  17. Vibronic transitions in the alkali-metal (Li, Na, K, Rb) - alkaline-earth-metal (Ca, Sr) series: A systematic analysis of de-excitation mechanisms based on the graphical mapping of Frank-Condon integrals

    Science.gov (United States)

    Pototschnig, Johann V.; Meyer, Ralf; Hauser, Andreas W.; Ernst, Wolfgang E.

    2017-02-01

    Research on ultracold molecules has seen a growing interest recently in the context of high-resolution spectroscopy and quantum computation. After forming weakly bound molecules from atoms in cold collisions, the preparation of molecules in low vibrational levels of the ground state is experimentally challenging, and typically achieved by population transfer using excited electronic states. Accurate potential energy surfaces are needed for a correct description of processes such as the coherent de-excitation from the highest and therefore weakly bound vibrational levels in the electronic ground state via couplings to electronically excited states. This paper is dedicated to the vibrational analysis of potentially relevant electronically excited states in the alkali-metal (Li, Na, K, Rb)- alkaline-earth metal (Ca,Sr) diatomic series. Graphical maps of Frank-Condon overlap integrals are presented for all molecules of the group. By comparison to overlap graphics produced for idealized potential surfaces, we judge the usability of the selected states for future experiments on laser-enhanced molecular formation from mixtures of quantum degenerate gases.

  18. Mixed ligand complexes of alkaline earth metals: Part XII. Mg(II, Ca(II, Sr(II and Ba(II complexes with 5-chlorosalicylaldehyde and salicylaldehyde or hydroxyaromatic ketones

    Directory of Open Access Journals (Sweden)

    MITHLESH AGRAWAL

    2002-04-01

    Full Text Available The reactions of alkaline earth metal chlorides with 5-chlorosalicylaldehyde and salicylaldehyde, 2-hydroxyacetophenone or 2-hydroxypropiophenone have been carried out in 1 : 1 : 1 mole ratio and the mixed ligand complexes of the type MLL’(H2O2 (where M = Mg(II, Ca(II, Sr(II and Ba(II, HL = 5-chlorosalicylaldehyde and HL’ = salicylaldehyde, 2-hydroxyacetophenone or 2-hydroxypropiophenone have been isolated. These complexes were characterized by TLC, conductance measurements, IR and 1H-NMR spectra.

  19. Association of alkali and alkaline earth metal cations with radical-anions of 9-fluorenone and 9.10-anthraquinone in dimethyl formamide medium

    International Nuclear Information System (INIS)

    Karpinets, A.P.; Bezuglyj, V.D.; Svetlichnaya, T.M.

    1988-01-01

    The polarographic method is used to estimate the stability of associates formed in dimethyl formamide by the products of one-electron reduction of 9-fluorenone and 9.10-anthraquinone with cations of alkali and alkali earth metals. It is shown that the strength of 9-fluorenone and 9.10-anthraquinone radical anion associates studied increases with cation charge increase and decrease of its crystallographic radius

  20. A Kinetic Insight into the Activation of n -Octane with Alkaline-Earth ...

    African Journals Online (AJOL)

    Alkaline-earth metal hydroxyapatites are prepared by the co-precipitation method and characterized using XRD, ICP,NH3-TPD, SEM-EDX, TEM and N2 physisorption analysis. The metal present in the hydroxyapatite influences the acidity of the catalyst. Oxidative dehydrogenation reactions carried out in a continuous flow ...

  1. First-principles study of fission product (Xe, Cs, Sr) incorporation and segregation in alkaline earth metal oxides, HfO(2), and the MgO-HfO(2) interface.

    Science.gov (United States)

    Liu, Xiang-Yang; Uberuaga, Blas P; Sickafus, Kurt E

    2009-01-28

    In order to close the nuclear fuel cycle, advanced concepts for separating out fission products are necessary. One approach is to use a dispersion fuel form in which a fissile core is surrounded by an inert matrix that captures and immobilizes the fission products from the core. If this inert matrix can be easily separated from the fuel, via e.g. solution chemistry, the fission products can be separated from the fissile material. We examine a surrogate dispersion fuel composition, in which hafnia (HfO(2)) is a surrogate for the fissile core and alkaline earth metal oxides are used as the inert matrix. The questions of fission product incorporation in these oxides and possible segregation behavior at interfaces are considered. Density functional theory based calculations for fission product elements (Xe, Sr, and Cs) in these oxides are carried out. We find smaller incorporation energy in hafnia than in MgO for Cs and Sr, and Xe if variation of charge state is allowed. We also find that this trend is reversed or reduced for alkaline earth metal oxides with large cation sizes. Model interfacial calculations show a strong tendency of segregation from bulk MgO to MgO-HfO(2) interfaces.

  2. A set of alkali and alkaline-earth coordination polymers based on the ligand 2-(1H-benzotriazol-1-yl) acetic acid: Effects the radius of metal ions on structures and properties

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jin-Hua [Department of Chemical Engineering, Shandong Provincial Key Laboratory of Fine Chemicals, Qilu University of Technology, Jinan 250353 (China); Tang, Gui-Mei, E-mail: meiguit@163.com [Department of Chemical Engineering, Shandong Provincial Key Laboratory of Fine Chemicals, Qilu University of Technology, Jinan 250353 (China); Qin, Ting-Xiao; Yan, Shi-Chen [Department of Chemical Engineering, Shandong Provincial Key Laboratory of Fine Chemicals, Qilu University of Technology, Jinan 250353 (China); Wang, Yong-Tao, E-mail: ceswyt@sohu.com [Department of Chemical Engineering, Shandong Provincial Key Laboratory of Fine Chemicals, Qilu University of Technology, Jinan 250353 (China); Cui, Yue-Zhi [Department of Chemical Engineering, Shandong Provincial Key Laboratory of Fine Chemicals, Qilu University of Technology, Jinan 250353 (China); Weng Ng, Seik [Department of Chemistry, University of Malaya, Kuala Lumpur 50603 (Malaysia)

    2014-11-15

    Four new metal coordination complexes, namely, [Na(BTA)]{sub n} (1), [K{sub 2}(BTA){sub 2}(μ{sub 2}-H{sub 2}O)]{sub n} (2), and [M(BTA){sub 2}(H{sub 2}O){sub 2}]{sub n} (M=Ca(II) and Sr(II) for 3 and 4, respectively) [BTA=2-(1H-benzotriazol-1-yl) acetic anion], have been obtained under hydrothermal condition, by reacting the different alkali and alkaline-earth metal hydroxides with HBTA. Complexes 1–4 were structurally characterized by X-ray single-crystal diffraction, EA, IR, PXRD, and thermogravimetry analysis (TGA). These complexes display low-dimensional features displaying various two-dimensional (2D) and one-dimensional (1D) coordination motifs. Complex 1 displays a 2D layer with the thickness of 1.5 nm and possesses a topologic structure of a 11 nodal net with Schläfli symbol of (3{sup 18}). Complex 2 also shows a thick 2D sheet and its topologic structure is a 9 nodes with Schläfli symbol of (3{sup 11}×4{sup 2}). Complexes 3 and 4 possess a 1D linear chain and further stack via hydrogen bonding interactions to generate a three-dimensional supramolecular architecture. These results suggest that both the coordination preferences of the metal ions and the versatile nature of this flexible ligand play a critical role in the final structures. The luminescent spectra show strong emission intensities in complexes 1–4, which display violet photoluminescence. Additionally, ferroelectric, dielectric and nonlinear optic (NLO) second-harmonic generation (SHG) properties of 2 are discussed in detail. - Graphical abstract: A set of alkali and alkaline-earth metal coordination polymers were hydrothermally synthesized by 2-(1H-benzotriazol-1-yl)acetic acid, displaying interesting topologic motifs from two-dimension to one-dimension and specific physical properties. - Highlights: • Alkali and alkaline-earth metal coordination polymers have been obtained. • The ligand 2-(1H-benzotriazol-1-yl)acetic acid has been adopted. • The two-dimensional and one

  3. Coordination Chemistry of Alkali and Alkaline-Earth Cations with Macrocyclic Ligands.

    Science.gov (United States)

    Dietrich, Bernard

    1985-01-01

    Discusses: (l) alkali and alkaline-earth cations in biology (considering naturally occurring lonophores, their X-ray structures, and physiochemical studies); (2) synthetic complexing agents for groups IA and IIA; and (3) ion transport across membranes (examining neutral macrobicyclic ligands as metal cation carriers, transport by anionic carriers,…

  4. A study on equilibrium and kinetics of ion exchange of alkaline earth ...

    Indian Academy of Sciences (India)

    Unknown

    A study on equilibrium and kinetics of ion exchange of alkaline earth metals using an inorganic cation exchanger – zirconium titanium phosphate. AMIN JIGNASA, THAKKAR RAKESH and CHUDASAMA UMA*. Applied Chemistry Department, Faculty of Technology and Engineering, MS University of Baroda,. Vadodara 390 ...

  5. Effect of certain alkaline metals on Pr doped glasses to investigate spectroscopic studies

    Science.gov (United States)

    Lenkennavar Susheela, K.; Madhu, A.; Eraiah, B.; Kokila, M. K.

    2018-02-01

    Incorporation of different Alkaline earth metal like Barium, Calcium and strontium in sodium lead borate glass doped with Pr3+ is studied. Physical parameters such as density, molar volume, molar refractivity etc have been evaluated. Effect of different atomic size of alkaline metal using optical and physical parameters is analysed. XRD and FTIR were carried out to know the structural behaviour of the glasses. Absorption and Emission spectra are recorded at room temperature and the results were discussed.

  6. Long-range interactions between alkali and alkaline-earth atoms

    International Nuclear Information System (INIS)

    Jiang Jun; Cheng Yongjun; Mitroy, J

    2013-01-01

    Dispersion coefficients between the alkali metal atoms (Li–Rb) and alkaline-earth metal atoms (Be–Sr) are evaluated using matrix elements computed from frozen core configuration interaction calculations. Besides dispersion coefficients with both atoms in their respective ground states, dispersion coefficients are also given for the case where one atom is in its ground state and the other atom is in a low-lying excited state. (paper)

  7. The mechanism of radiolysis of alkaline-earth nitrates

    Science.gov (United States)

    Anan'ev, V.; Kriger, L.; Miklin, M.

    2015-04-01

    The formation of peroxynitrite and nitrite in crystalline alkaline-earth nitrates under γ-irradiation at 310 K by optical reflectance spectroscopy has been studied. The radiolysis of Sr(NO3)2 and Ba(NO3)2 results in nitrite and peroxynitrite, Mg(NO3)2·6H2O and Ca(NO3)2·4H2O - nitrite. The mechanism for nitrite and peroxynitrite formation under γ-irradiation of crystalline alkaline-earth nitrates has been discussed.

  8. Spectrum Estimation of Density Operators with Alkaline-Earth Atoms

    Science.gov (United States)

    Beverland, Michael E.; Haah, Jeongwan; Alagic, Gorjan; Campbell, Gretchen K.; Rey, Ana Maria; Gorshkov, Alexey V.

    2018-01-01

    We show that Ramsey spectroscopy of fermionic alkaline-earth atoms in a square-well trap provides an efficient and accurate estimate for the eigenspectrum of a density matrix whose n copies are stored in the nuclear spins of n such atoms. This spectrum estimation is enabled by the high symmetry of the interaction Hamiltonian, dictated, in turn, by the decoupling of the nuclear spin from the electrons and by the shape of the square-well trap. Practical performance of this procedure and its potential applications to quantum computing and time keeping with alkaline-earth atoms are discussed.

  9. Phase equilibria and thermodynamic properties of oxide systems on the basis of rare earth, alkaline earth and 3d-transition (Mn, Fe, Co metals. A short overview of

    Directory of Open Access Journals (Sweden)

    V. A. Cherepanov

    2015-12-01

    Full Text Available Review is dedicated studies of phase equilibria in the systems based on rare earth elements and 3d transition metals. It’s highlighted several structural families of these compounds and is shown that many were found interesting properties for practical application, such as high conductivity up to the superconducting state, magnetic properties, catalytic activity of the processes of afterburning of exhaust gases, the high mobility in the oxygen sublattice and more.

  10. Gas-Phase Reactions of Hydrated Alkaline Earth Metal Ions, M2+ (H2O)n (M = Mg, Ca, Sr, Ba and n = 4–7), With Benzene

    Science.gov (United States)

    Rodriguez-Cruz, Sandra E.; Williams, Evan R.

    2005-01-01

    Gas-phase reactions of hydrated divalent alkaline earth metal ions and benzene were investigated by electrospray ionization Fourier-transform mass spectrometry. Rate constants for solvent-exchange reactions were determined as a function of hydration extent for Mg2+, Ca2+, Sr2+, and Ba2+ clusters containing four to seven water molecules each. All of the strontium and barium clusters react quickly with benzene. Barium reacts slightly faster than the corresponding strontium cluster with the same number of water molecules attached. For calcium, clusters with four and five water molecules react quickly, whereas those with six and seven water molecules do not. Magnesium with four water molecules reacts quickly, but not when five through seven water molecules are attached. The slow reactivity observed for some of these clusters indicates that the cation–π interaction between the metal ion and benzene is partially screened by the surrounding water molecules. The reactivity of magnesium with seven water molecules is intermediate that of the hexa- and pentahydrate and the tetrahydrate. This result is consistent with the seventh water molecule being in the outer shell and much more weakly bound. The unusual trend in reactivity observed for magnesium may be due to the presence of mixed shell structures observed previously. These results are the first to provide information about the relative importance of cation–π interactions in divalent metal ions as a function of metal hydration extent. Such studies should also provide a model and some insight into the relative binding affinities of divalent metal ions to aromatic residues on peptides and proteins. PMID:11281600

  11. Gas-phase reactions of hydrated alkaline earth metal ions, M2+ (H2O)n (M = Mg, Ca, Sr, Ba and n = 4-7), with benzene.

    Science.gov (United States)

    Rodriguez-Cruz, S E; Williams, E R

    2001-03-01

    Gas-phase reactions of hydrated divalent alkaline earth metal ions and benzene were investigated by electrospray ionization Fourier-transform mass spectrometry. Rate constants for solvent-exchange reactions were determined as a function of hydration extent for Mg2+, Ca2+, Sr2+, and Ba2+ clusters containing four to seven water molecules each. All of the strontium and barium clusters react quickly with benzene. Barium reacts slightly faster than the corresponding strontium cluster with the same number of water molecules attached. For calcium, clusters with four and five water molecules react quickly, whereas those with six and seven water molecules do not. Magnesium with four water molecules reacts quickly, but not when five through seven water molecules are attached. The slow reactivity observed for some of these clusters indicates that the cation-pi interaction between the metal ion and benzene is partially screened by the surrounding water molecules. The reactivity of magnesium with seven water molecules is intermediate that of the hexa- and pentahydrate and the tetrahydrate. This result is consistent with the seventh water molecule being in the outer shell and much more weakly bound. The unusual trend in reactivity observed for magnesium may be due to the presence of mixed shell structures observed previously. These results are the first to provide information about the relative importance of cation-pi interactions in divalent metal ions as a function of metal hydration extent. Such studies should also provide a model and some insight into the relative binding affinities of divalent metal ions to aromatic residues on peptides and proteins.

  12. Spectroscopic characterization of manganese-doped alkaline earth

    Indian Academy of Sciences (India)

    The intensity and frequency variations for the characteristic phosphate group vibrations have been correlated with the changes of the structural units present in these glasses. Depolymerization of the phosphate chains in all the glasses is observed with replacement of alkaline earth content by spectroscopic studies.

  13. Spectroscopic characterization of manganese-doped alkaline earth ...

    Indian Academy of Sciences (India)

    Alkaline earth lead zinc phosphate glasses doped with Mn(II) are characterized by spectroscopic techniques like X-ray diffraction (XRD), UV–visible, differential scanning calorimetry (DSC), electron paramagnetic resonance (EPR), Fourier transform infrared (FTIR) and Raman. Optical absorption spectrum exhibits four ...

  14. Effects of Mixed Alkaline Earth Oxides in Potash Silicate Glass ...

    African Journals Online (AJOL)

    The aim of this work is to investigate the effects of mixed alkaline earth oxide in potash silicate glasses with regards to their physical properties. More recently; there has been an increase in the demand for light weight glasses which retains their physical and chemical properties for both domestic and industrial applications.

  15. Production by metallothermics of pure alloys of rare earths and transition metals

    International Nuclear Information System (INIS)

    Jourdan, A.

    1988-01-01

    Industrial process of production of high purity master alloys ingots by the thermite process from a rare earth compound which is reduced by a reducing agent like alkaline or alkaline earth metals. The process is characterized by introduction of the transition metal into the initial reaction mixture, at least in part, as a compound than can be reduced by the reducing agent [fr

  16. Synthesis and characterisation of alkaline earth bis(diphenylphosphano)metallocene complexes and heterobimetallic alkaline earth metal/platinum(II) complexes [Ae(thf)(x)(η5-C5H4PPh2)2Pt(Me)2] (Ae = Ca, Sr, Ba).

    Science.gov (United States)

    Daniels, Daisy P; Deacon, Glen B; Harakat, Dominique; Jaroschik, Florian; Junk, Peter C

    2012-01-07

    A series of alkaline earth metallocene complexes carrying the diphenylphosphanocyclopentadienyl ligand, [Ae(L)(x)(η(5)-C(5)H(4)PPh(2))(2)] (Ae = Ca, L = thf, x = 1 (6a); Ae = Ca, L = dme, x = 1 (6b); Ae = Sr, L = thf, x = 1 (7); Ae = Ba, L = thf, x = 1 (8a); Ae = Ba, L = dme, x = 2 (8b)), were prepared by redox transmetallation/protolysis from the free metals, diphenylmercury and diphenylphosphanocyclopentadiene. These complexes were characterised using multinuclear NMR spectroscopy and two by single crystal X-ray diffraction. [Ca(dme)(η(5)-C(5)H(4)PPh(2))(2)] (6b) is a discrete neutral monomeric eight coordinate molecule in which the phosphorus atoms are not coordinated to the calcium ion and the larger barium analogue, ten-coordinate [Ba(dme)(2)(η(5)-C(5)H(4)PPh(2))(2)] (8b), has an extremely bent sandwich structure due to the two dme ligands attached to the metal. Bimetallic complexes, [Ae(thf)(x)(η(5)-C(5)H(4)PPh(2))(2)Pt(Me)(2)].(solv) (Ae = Ca, L = thf, x = 2, solv = 1.5thf (9); Ae = Sr, L = thf, x = 3, solv = 1.5thf (10); Ae = Ba, L = thf, x = 3, solv = thf (11)) were obtained by reaction of the homometallic complexes with [Pt(cod)(Me)(2)]. The crystal structures of [Ca(thf)(2)(η(5)-C(5)H(4)PPh(2))(2)Pt(Me)(2)].1.5thf (9), [Sr(thf)(3)(η(5)-C(5)H(4)PPh(2))(2)Pt(Me)(2)].1.5thf (10) and [Ba(thf)(3)(η(5)-C(5)H(4)PPh(2))(2)Pt(Me)(2)].thf (11) show the eight (calcium) and nine coordinate (strontium and barium) fragments acting as a chelating metalloligand attached to the square planar platinum through the phosphorus donor atoms. The solution chemistry of these bimetallic complexes has been investigated by NMR spectroscopy, electro-spray ionisation mass spectrometry and conductivity experiments which indicate that the bimetallic compounds persist in solution.

  17. Temperature Dependence of Mineral Solubility in Water. Part 2. Alkaline and Alkaline Earth Bromides

    Science.gov (United States)

    Krumgalz, B. S.

    2018-03-01

    Databases of alkaline and alkaline earth bromide solubilities in water at various temperatures were created using experimental data from publications over about the last two centuries. Statistical critical evaluation of the created databases was produced since there were enough independent data sources to justify such evaluation. The reliable experimental data were adequately described by polynomial expressions over various temperature ranges. Using the Pitzer approach for ionic activity and osmotic coefficients, the thermodynamic solubility products for the discussed bromide minerals have been calculated at various temperature intervals and also represented by polynomial expressions.

  18. Gaussian basis sets for use in correlated molecular calculations. XI. Pseudopotential-based and all-electron relativistic basis sets for alkali metal (K-Fr) and alkaline earth (Ca-Ra) elements

    Science.gov (United States)

    Hill, J. Grant; Peterson, Kirk A.

    2017-12-01

    New correlation consistent basis sets based on pseudopotential (PP) Hamiltonians have been developed from double- to quintuple-zeta quality for the late alkali (K-Fr) and alkaline earth (Ca-Ra) metals. These are accompanied by new all-electron basis sets of double- to quadruple-zeta quality that have been contracted for use with both Douglas-Kroll-Hess (DKH) and eXact 2-Component (X2C) scalar relativistic Hamiltonians. Sets for valence correlation (ms), cc-pVnZ-PP and cc-pVnZ-(DK,DK3/X2C), in addition to outer-core correlation [valence + (m-1)sp], cc-p(w)CVnZ-PP and cc-pwCVnZ-(DK,DK3/X2C), are reported. The -PP sets have been developed for use with small-core PPs [I. S. Lim et al., J. Chem. Phys. 122, 104103 (2005) and I. S. Lim et al., J. Chem. Phys. 124, 034107 (2006)], while the all-electron sets utilized second-order DKH Hamiltonians for 4s and 5s elements and third-order DKH for 6s and 7s. The accuracy of the basis sets is assessed through benchmark calculations at the coupled-cluster level of theory for both atomic and molecular properties. Not surprisingly, it is found that outer-core correlation is vital for accurate calculation of the thermodynamic and spectroscopic properties of diatomic molecules containing these elements.

  19. Gaussian basis sets for use in correlated molecular calculations. XI. Pseudopotential-based and all-electron relativistic basis sets for alkali metal (K-Fr) and alkaline earth (Ca-Ra) elements.

    Science.gov (United States)

    Hill, J Grant; Peterson, Kirk A

    2017-12-28

    New correlation consistent basis sets based on pseudopotential (PP) Hamiltonians have been developed from double- to quintuple-zeta quality for the late alkali (K-Fr) and alkaline earth (Ca-Ra) metals. These are accompanied by new all-electron basis sets of double- to quadruple-zeta quality that have been contracted for use with both Douglas-Kroll-Hess (DKH) and eXact 2-Component (X2C) scalar relativistic Hamiltonians. Sets for valence correlation (ms), cc-pVnZ-PP and cc-pVnZ-(DK,DK3/X2C), in addition to outer-core correlation [valence + (m-1)sp], cc-p(w)CVnZ-PP and cc-pwCVnZ-(DK,DK3/X2C), are reported. The -PP sets have been developed for use with small-core PPs [I. S. Lim et al., J. Chem. Phys. 122, 104103 (2005) and I. S. Lim et al., J. Chem. Phys. 124, 034107 (2006)], while the all-electron sets utilized second-order DKH Hamiltonians for 4s and 5s elements and third-order DKH for 6s and 7s. The accuracy of the basis sets is assessed through benchmark calculations at the coupled-cluster level of theory for both atomic and molecular properties. Not surprisingly, it is found that outer-core correlation is vital for accurate calculation of the thermodynamic and spectroscopic properties of diatomic molecules containing these elements.

  20. Bose-Einstein condensation of alkaline earth atoms: ;{40}Ca.

    Science.gov (United States)

    Kraft, Sebastian; Vogt, Felix; Appel, Oliver; Riehle, Fritz; Sterr, Uwe

    2009-09-25

    We have achieved Bose-Einstein condensation of ;{40}Ca, the first for an alkaline earth element. The influence of elastic and inelastic collisions associated with the large ground-state s-wave scattering length of ;{40}Ca was measured. From these findings, an optimized loading and cooling scheme was developed that allowed us to condense about 2 x 10;{4} atoms after laser cooling in a two-stage magneto-optical trap and subsequent forced evaporation in a crossed dipole trap within less than 3 s. The condensation of an alkaline earth element opens novel opportunities for precision measurements on the narrow intercombination lines as well as investigations of molecular states at the ;{1}S-;{3}P asymptotes.

  1. Defect structure of cubic solid solutions of alkaline earth and rare earth fluorides

    NARCIS (Netherlands)

    DenHartog, HW

    1996-01-01

    In this paper we will consider the disorder in some cubic solid solutions consisting of one of the alkaline earth fluorides and one of the rare earth fluorides. This is an attractive group of model materials, because these materials have a rather simple overall cubic structure. We will discuss the

  2. Modelling the crystallisation of alkaline earth boroaluminosilicate glass ceramics

    DEFF Research Database (Denmark)

    Svenson, Mouritz Nolsøe; Agersted, Karsten; Holm, Paul Martin

    2014-01-01

    To investigate the potential use of a thermochemical software package (FactSage 6.2), in the design of alkaline earth boroaluminosilicate glass ceramics, experimental and modelled results on four glass ceramics were compared. Initially large discrepancies were found. These are described and related...... for the topology of multicomponent melts, before accurate prediction of phase relations within boron-containing glass ceramics can be obtained....

  3. Pair natural orbital and canonical coupled cluster reaction enthalpies involving light to heavy alkali and alkaline earth metals: the importance of sub-valence correlation

    KAUST Repository

    Minenkov, Yury

    2017-03-07

    In this work, we tested canonical and domain based pair natural orbital coupled cluster methods (CCSD(T) and DLPNO-CCSD(T), respectively) for a set of 32 ligand exchange and association/dissociation reaction enthalpies involving ionic complexes of Li, Be, Na, Mg, Ca, Sr, Ba and Pb(ii). Two strategies were investigated: in the former, only valence electrons were included in the correlation treatment, giving rise to the computationally very efficient FC (frozen core) approach; in the latter, all non-ECP electrons were included in the correlation treatment, giving rise to the AE (all electron) approach. Apart from reactions involving Li and Be, the FC approach resulted in non-homogeneous performance. The FC approach leads to very small errors (<2 kcal mol-1) for some reactions of Na, Mg, Ca, Sr, Ba and Pb, while for a few reactions of Ca and Ba deviations up to 40 kcal mol-1 have been obtained. Large errors are both due to artificial mixing of the core (sub-valence) orbitals of metals and the valence orbitals of oxygen and halogens in the molecular orbitals treated as core, and due to neglecting core-core and core-valence correlation effects. These large errors are reduced to a few kcal mol-1 if the AE approach is used or the sub-valence orbitals of metals are included in the correlation treatment. On the technical side, the CCSD(T) and DLPNO-CCSD(T) results differ by a fraction of kcal mol-1, indicating the latter method as the perfect choice when the CPU efficiency is essential. For completely black-box applications, as requested in catalysis or thermochemical calculations, we recommend the DLPNO-CCSD(T) method with all electrons that are not covered by effective core potentials included in the correlation treatment and correlation-consistent polarized core valence basis sets of cc-pwCVQZ(-PP) quality.

  4. Thermodynamic properties of alkaline earth metal oxides

    International Nuclear Information System (INIS)

    Chekhovskoj, V.Ya.; Irgashov, Kh.

    1990-01-01

    Analysis of the known experimental data on enthalpy and heat capacity of CaO, SrO, BaO and RaO above 300 K is performed. New results of experimental study: enthalpy and heat capacity in solid and liquid states of BaO up to 2500 K, SrO up to 3000 K, CaO - up to 3100 K, as well as melting points, melting heats and entropies, heat capacity of melts and formation energy of anion and cation vacancy pair are presented. For Ra evaluations of temperature, melting heat and entropy, melt heat capacity, Debye point and formation energy of anion and cation vacancy pairs are made. On the basis of high-temperature data on enthalpy and low-temperature literature data on heat capacity the tables of thermodynamic functions in the range of 0-2500 K for BaO, 0-1300 K for SrO and 0-3128 K for CaO are calculated

  5. Recent advances in rare earth doped alkali-alkaline earth borates for solid state lighting applications

    Science.gov (United States)

    Verma, Shefali; Verma, Kartikey; Kumar, Deepak; Chaudhary, Babulal; Som, Sudipta; Sharma, Vishal; Kumar, Vijay; Swart, Hendrik C.

    2018-04-01

    As a novel class of inorganic phosphor, the alkali-alkaline earth borate phosphors have gained huge attention due to their charming applications in solid-state lighting (SSL) and display devices. The current research drive shows that phosphors based on the alkali-alkaline earth borates have transformed the science and technology due to their high transparency over a broad spectral range, their flexibility in structure and durability for mechanical and high-laser applications. Recent advances in various aspects of rare-earth (RE) doped borate based phosphors and their utilizations in SSL and light emitting diodes are summarized in this review article. Moreover, the present status and upcoming scenario of RE-doped borate phosphors were reviewed in general along with the proper credential from the existing literature. It is believed that this review is a sole compilation of crucial information about the RE-doped borate phosphors in a single platform.

  6. Individual activity coefficients of single ionic species of alkaline earth halogenides, alkaline earth perchlorates, and uranyl perchlorate at 25 0C in aqueous solutions

    International Nuclear Information System (INIS)

    Ferse, A.

    1981-01-01

    The individual activity coefficients of the single ionic species of alkaline-earth haloides, alkaline earth perchlorates and uranylic perchlorate, resp., at 25 0 C in aqueous solution are calculated and presented up to the concentration of about m = 4 mol/kg. The individual activity coefficients of the alkaline-earth ions pass mostly as a function of the concentration through a steep minimum and decrease from Mg 2+ to Ba 2+ . The individual activity coefficients of the anions pass generally as a function of the concentration through a marked flat minimum, but they increase - the complex perchlorate ions excepted - only a little above 1. (author)

  7. Alkaline earth-based coordination polymers derived from a cyclotriphosphazene-functionalized hexacarboxylate

    International Nuclear Information System (INIS)

    Ling, Yajing; Bai, Dongjie; Feng, Yunlong; He, Yabing

    2016-01-01

    Combination of hexakis(4-carboxylatephenoxy)cyclotriphosphazene with alkaline earth ions of increasing ionic radii (Mg 2+ , Ca 2+ and Ba 2+ ) under different solvothermal conditions yielded three new coordination polymers, and their crystal structures were determined by single-crystal X-ray diffraction analysis. The magnesium compound displays a three dimensional (3D) network structure constructed from the deprotonated ligand and the secondary building block Mg(COO) 4 , which can be rationalized as a (4,6)-connected topological net with the Schläfli symbol of (4 4 ·6 2 ) 3 (4 9 ·6 6 ) 2 . The calcium compound consists of 1D infinite “Ca-O” inorganic chains connected by the deprotonated ligands to from a 3D framework. The barium compound exhibits a 3D framework in which 1D “Ba-O” inorganic chains are connected together by the deprotonated organic linkers. Due to the semi-rigid nature, the ligand adopts distinctly different conformations in the three compounds. The metal ions’ influence exerted on the final structure of the resulting coordination polymers is also discussed. When the radii of alkaline earth ions increases descending down the group from Mg(II) to Ba(II), the coordination number becomes larger and more versatile: from 6 in the magnesium compound, to 6,7 and 10 in the calcium compound, and to 8 and 9 in the barium compound, thus substantially influencing the resulting final framework structures. Also, the photophysical properties were investigated systematically, revealing that the three compounds are photoluminscent in the solid state at room temperature. This work demonstrates that although the multiplicity of conformation in the hexacarboxylate ligand based on the inorganic scaffold cyclotriphosphazene makes it difficult to predict how this ligand will form extended network, but provides unique opportunities for the formation of diverse inorganic-organic hybrids exhibiting rich structural topologies. - Graphical abstract: Three alkaline

  8. Alkaline earth-based coordination polymers derived from a cyclotriphosphazene-functionalized hexacarboxylate

    Energy Technology Data Exchange (ETDEWEB)

    Ling, Yajing; Bai, Dongjie; Feng, Yunlong; He, Yabing, E-mail: heyabing@zjnu.cn

    2016-10-15

    Combination of hexakis(4-carboxylatephenoxy)cyclotriphosphazene with alkaline earth ions of increasing ionic radii (Mg{sup 2+}, Ca{sup 2+} and Ba{sup 2+}) under different solvothermal conditions yielded three new coordination polymers, and their crystal structures were determined by single-crystal X-ray diffraction analysis. The magnesium compound displays a three dimensional (3D) network structure constructed from the deprotonated ligand and the secondary building block Mg(COO){sub 4}, which can be rationalized as a (4,6)-connected topological net with the Schläfli symbol of (4{sup 4}·6{sup 2}){sub 3}(4{sup 9}·6{sup 6}){sub 2}. The calcium compound consists of 1D infinite “Ca-O” inorganic chains connected by the deprotonated ligands to from a 3D framework. The barium compound exhibits a 3D framework in which 1D “Ba-O” inorganic chains are connected together by the deprotonated organic linkers. Due to the semi-rigid nature, the ligand adopts distinctly different conformations in the three compounds. The metal ions’ influence exerted on the final structure of the resulting coordination polymers is also discussed. When the radii of alkaline earth ions increases descending down the group from Mg(II) to Ba(II), the coordination number becomes larger and more versatile: from 6 in the magnesium compound, to 6,7 and 10 in the calcium compound, and to 8 and 9 in the barium compound, thus substantially influencing the resulting final framework structures. Also, the photophysical properties were investigated systematically, revealing that the three compounds are photoluminscent in the solid state at room temperature. This work demonstrates that although the multiplicity of conformation in the hexacarboxylate ligand based on the inorganic scaffold cyclotriphosphazene makes it difficult to predict how this ligand will form extended network, but provides unique opportunities for the formation of diverse inorganic-organic hybrids exhibiting rich structural

  9. Reaction cross section calculation of some alkaline earth elements

    Science.gov (United States)

    Tel, Eyyup; Kavun, Yusuf; Sarpün, Ismail Hakki

    2017-09-01

    Reaction cross section knowledge is crucial to application nuclear physics such as medical imaging, radiation shielding and material evaluations. Nuclear reaction codes can be used if the experimental data are unavailable or are improbably to be produced because of the experimental trouble. In this study, there action cross sections of some target alkaline earth elements have been calculated by using pre-equilibrium and equilibrium nuclear reaction models for nucleon induced reactions. While these calculations, the Hybrid Model, the Geometry Dependent Hybrid Model, the Full Exciton Model, the Cascade Exciton Model for pre-equilibrium reactions and the Weisskopf-Ewing Model for equilibrium reactions have been used. The calculated cross sections have been discussed and compared with the experimental data taken from Experimental Nuclear Reaction Data library.

  10. Metal Distribution and Mobility under alkaline conditions

    International Nuclear Information System (INIS)

    Dario, Maarten

    2004-01-01

    The adsorption of an element, expressed as its distribution between liquid (aquatic) and solid phases in the bio geosphere, largely determines its mobility and transport properties. This is of fundamental importance in the assessment of the performance of e.g. geologic repositories for hazardous elements like radionuclides. Geologic repositories for low and intermediate level nuclear waste will most likely be based on concrete constructions in a suitable bedrock, leading to a local chemical environment with pH well above 12. At this pH metal adsorption is very high, and thus the mobility is hindered. Organic complexing agents, such as natural humic matter from the ground and in the groundwater, as well as components in the waste (cleaning agents, degradation products from ion exchange resins and cellulose, cement additives etc.) would affect the sorption properties of the various elements in the waste. Trace element migration from a cementitious repository through the pH- and salinity gradient created around the repository would be affected by the presence and creation of particulate matter (colloids) that may serve as carriers that enhance the mobility. The objective of this thesis was to describe and quantify the sorption of some selected elements representative of spent nuclear fuel (Eu, Am) and other heavy metals (Zn, Cd, Hg) in a clay/cement environment (pH 10-13) and in the pH-gradient outside this environment. The potential of organic complexing agents and colloids to enhance metal migration was also investigated. It was shown that many organic ligands are able to reduce trace metal sorption under these conditions. It was not possible to calculate the effect of well-defined organic ligands on the metal sorption in a cement environment by using stability constants from the literature. A simple method for comparing the effect of different complexing agents on metal sorption is, however, suggested. The stability in terms of the particle size of suspended

  11. Enhanced NO2 abatement by alkaline-earth modified g-C3N4 nanocomposites for efficient air purification

    Science.gov (United States)

    Papailias, Ilias; Todorova, Nadia; Giannakopoulou, Tatiana; Karapati, Sofia; Boukos, Nikos; Dimotikali, Dimitra; Trapalis, Christos

    2018-02-01

    The emission of nitrogen dioxide (NO2) is a major problem encountered in photocatalytic NOx removal for air purification. Although the oxidation of nitric oxide (NO) has been extensively studied, the elimination of NO2 byproduct is still in preliminary stage. In this work, alkaline-earth modified graphitic carbon nitride (g-C3N4) is proposed for efficient NOx removal by minimizing the emission of NO2 during the NO oxidation process. The novel photocatalysts were synthesized by annealing mixtures of melamine and various alkaline-earth acetates (magnesium, calcium and barium acetate) at 550 °C for 3 h. The specific surface area of the photocatalysts varied between 4.65 and 11.81 m2/g. The formation of MgO, CaCO3 and BaCO3 was demonstrated by XPS and FT-IR analyses. The initial concentration of each alkaline-earth precursor was 5 and 10 wt%, while the final metal concentration in the nanocomposites was in the range of 7.19-22.39 wt%. The modified photocatalysts showed slightly reduced NO oxidation ability. However, the overall air quality was significantly improved by restraining the NO2 emission. The results were related to the basic character of the nanocomposites due to the presence of alkaline-earths and their enhanced NO2 adsorption capability.

  12. Extraction process of U from its ores using solutions of alkaline earth carbonates and bicarbonates in presence of carbon dioxide

    International Nuclear Information System (INIS)

    Floreancig, Antoine; Schuffenecker, Robert.

    1976-01-01

    A process is described for extracting uranium from its ores, either directly in the ore deposit or after such ore bodies have been taken from the ground, comprising an oxidation-leaching stage followed by a recovery stage. The characteristic of this process is that in the leaching process, carbonate and bicarbonate solutions of an alkaline-earth metal are used under a pressure of carbon dioxide between zero and 60 bars and at a temperature of zero to 100 0 C [fr

  13. Ab Initio Study of Chemical Reactions of Cold SrF and CaF Molecules with Alkali-Metal and Alkaline-Earth-Metal Atoms: The Implications for Sympathetic Cooling.

    Science.gov (United States)

    Kosicki, Maciej Bartosz; Kędziera, Dariusz; Żuchowski, Piotr Szymon

    2017-06-01

    We investigate the energetics of the atom exchange reaction in the SrF + alkali-metal atom and CaF + alkali-metal atom systems. Such reactions are possible only for collisions of SrF and CaF with the lithium atoms, while they are energetically forbidden for other alkali-metal atoms. Specifically, we focus on SrF interacting with Li, Rb, and Sr atoms and use ab initio methods to demonstrate that the SrF + Li and SrF + Sr reactions are barrierless. We present potential energy surfaces for the interaction of the SrF molecule with the Li, Rb, and Sr atoms in their energetically lowest-lying electronic spin states. The obtained potential energy surfaces are deep and exhibit profound interaction anisotropies. We predict that the collisions of SrF molecules in the rotational or Zeeman excited states most likely have a strong inelastic character. We discuss the prospects for the sympathetic cooling of SrF and CaF molecules using ultracold alkali-metal atoms.

  14. The electronic structure of rare-earth luminescent centre in alkaline-earth sulphides

    International Nuclear Information System (INIS)

    Zheng Qingqi; Pan Wei; Huang Maichun; He Xiaoguang

    1988-09-01

    The cluster method is used to investigate the electronic structure of rare-earth Eu 2+ and Ce 3+ doped SrS and CaS alkaline-earth sulphides in the local density theory regime. The ground state is obtained self-consistently by the DV-X α method, while the transition state theory is used to calculate the excited states. The energy difference between ground state and excited state is 2.95 eV (420 nm) for CaS:Eu is in good agreement with the experimental data of 430 nm for the absorption peak in SrS:Cu. The composition of ground state and excited state is also calculated which can give information about the EL excitation mechanism. (author). 7 refs, 4 figs, 3 tabs

  15. Electromigration in molten salts and application to isotopic separation of alkaline and alkaline-earth elements

    International Nuclear Information System (INIS)

    Menes, F.

    1969-01-01

    The separation of the isotopes of the alkaline-earth elements has been studied using counter-current electromigration in molten bromides. The conditions under which the cathode operates as a bromine electrode for the highest possible currents have been examined. For the separation of calcium, it has been necessary to use a stable CaBr 2 - (CaBr 2 + KBr) 'chain'. In the case of barium and strontium, it was possible to employ the pure bromides. Enrichment factors of the order of 10 for 48 Ca and of the order of 1.5 for the rare isotopes of barium and strontium have been obtained. In the case of magnesium the method is slightly more difficult to apply because of material loss due to the relatively high vapour pressure of the salt requiring the use of electrolyte chains, MgBr 2 - CeBr 3 . A study has been made that has led to a larger-scale application of the method. These are essentially the inhibition of reversible operation of the cathode by traces of water, limiting the intensity which can be tolerated; evacuation of the heat produced by the Joule effect, in the absence of which the separation efficiency is reduced by thermal gradients; corrosion of the materials by molten salts at high temperature. Several cells capable of treating a few kilograms of substance have been put into operation; none of these has lasted long enough to produce a satisfactory enrichment. The method is thus limited actually to yields of the order of a few grams. (author) [fr

  16. Rare earth metals for automotive exhaust catalysts

    International Nuclear Information System (INIS)

    Shinjoh, Hirohumi

    2006-01-01

    The usage of rare earth metals for automotive exhaust catalysts is demonstrated in this paper. Rare earth metals have been widely used in automotive catalysts. In particular, three-way catalysts require the use of ceria compounds as oxygen storage materials, and lanthana as both a stabilizer of alumina and a promoter. The application for diesel catalysts is also illustrated. Effects of inclusion of rare earth metals in automotive catalysts are discussed

  17. Desorption of acetone from alkaline-earth exchanged Y zeolite after propane selective oxidation

    NARCIS (Netherlands)

    Xu, J.; Mojet, Barbara; van Ommen, J.G.; Lefferts, Leonardus

    2004-01-01

    The desorption of products from a series of alkaline-earth exchanged Y zeolites after room-temperature propane selective oxidation was investigated by in situ infrared and mass spectroscopy. The intermediate product, isopropylhydroperoxide (IHP), did not desorb during

  18. The application of extraction chromatography for analysis of alkali and alkaline earth uranates

    International Nuclear Information System (INIS)

    Tomazic, B.; Cukovic, M.

    1978-01-01

    A method for rapid analysis of alkali and alkaline earth uranates is proposed. The method is based on the use of an HDEHP extraction chromatographic column, which makes possible quantitative separations of alkaline earth ions from macroamounts of uranium(VI). Composition of alkaline earth uranates, based on regression analysis, are presented. The results, which show that under the given experimental conditions alkaline earth triuranates precipitate, are in good agreement with previous data from same laboratory. In addition the HDEHP extraction chromatographic column can be suggested as a tool for separation of representative fission products from irradiated uranium for the purpose of determination of the burn-up factor of nuclear reactor materials. (T.G.)

  19. Study of alkaline-earth element complexes in anhydrous acetic acid

    International Nuclear Information System (INIS)

    Petit, N.

    1968-10-01

    We have studied the complexes of alkaline-earth elements in anhydrous acetic acid. Using glass-electrode potentiometry we have studied the titration of alkaline earth acetates with perchloric acid which is the strongest acid in anhydrous acetic acid. These titrations have shown that the basic strength of these acetates increases as follows: Mg 4 ); the mixed acetate-acid sulfate complex of barium: Ba (OAc)(HSO 4 ); the mixed acetate-chloride of barium: Ba (OAc)(Cl). (author) [fr

  20. Rare earths and rare earth alloys electrolytic preparation process and device for this process

    International Nuclear Information System (INIS)

    Seon, F.; Barthole, G.

    1986-01-01

    Electrolysis of a molten salt of rare earth or rare earth alloy for preparation of the metal or alloy is described. The molten salt bath comprises at least a rare earth chloride, at least an alkaline or alkaline earth chloride and at least an alkaline or alkaline earth fluoride [fr

  1. The pressure induced B1-B2 phase transition of alkaline halides and alkaline earth chalcogenides. A first principles investigation

    International Nuclear Information System (INIS)

    Potzel, Oliver; Taubmann, Gerhard

    2011-01-01

    In this work, we considered the pressure induced B1-B2 phase transition of AB compounds. The DFT calculations were carried out for 11 alkaline halides, 11 alkaline earth chalcogenides and the lanthanide pnictide CeP. For both the B1 and the B2 structures of each compound, the energy was calculated as a function of the cell volume. The transition pressure, the bulk moduli and their pressure derivatives were obtained from the corresponding equations of state. The transition path of the Buerger mechanism was described using roots of the transition matrix. We correlated the computed enthalpies of activation to some structure defining properties of the compounds. A fair correlation to Pearsons hardness of the ions was observed. -- Graphical abstract: Pressure induced transition from the B1 structure (left) via the transition state (middle) to the B2 structure (right). Display Omitted Highlights: → Pressure induced phase transitions in AB compounds were considered. → Alkaline halides and alkaline earth chalcogenides were treated. → DFT calculations with periodic boundary conditions were applied. → The transition path was described by roots of the transition matrix. → The enthalpy of activation was calculated for numerous compounds.

  2. Rare Earth Metals: Resourcefulness and Recovery

    Science.gov (United States)

    Wang, Shijie

    2013-10-01

    When we appreciate the digital revolution carried over from the twentieth century with mobile communication and the Internet, and when we enjoy our high-tech lifestyle filled with iDevices, hybrid cars, wind turbines, and solar cells in this new century, we should also appreciate that all of these advanced products depend on rare earth metals to function. Although there are only 136,000 tons of annual worldwide demand, (Cho, Rare Earth Metals, Will We Have Enough?)1 rare earth metals are becoming such hot commodities on international markets, due to not only to their increasing uses, including in most critical military hardware, but also to Chinese growth, which accounts for 95% of global rare earth metal production. Hence, the 2013 technical calendar topic, planned by the TMS/Hydrometallurgy and Electrometallurgy Committee, is particularly relevant, with four articles (including this commentary) contributed to the JOM October Issue discussing rare earth metals' resourcefulness and recovery.

  3. Synthesis, characterization, and chemical bonding analysis of the lithium alkaline-earth metal gallide nitrides Li{sub 2}(Ca{sub 3}N){sub 2}[Ga{sub 4}] and Li{sub 2}(Sr{sub 3}N){sub 2}[Ga{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Pathak, Manisha; Bobnar, Matej; Ormeci, Alim; Hoehn, Peter [Chemische Metallkunde, Max-Planck-Institut fuer Chemische Physik fester Stoffe, Dresden (Germany); Stoiber, Dominik; Niewa, Rainer [Institut fuer Anorganische Chemie, Universitaet Stuttgart (Germany); Ovchinnikov, Alexander [Chemische Metallkunde, Max-Planck-Institut fuer Chemische Physik fester Stoffe, Dresden (Germany); Department of Chemistry and Biochemistry, University of Delaware, Newark, DE (United States)

    2017-11-17

    Large single crystals of Li{sub 2}(Ca{sub 3}N){sub 2}[Ga{sub 4}] and Li{sub 2}(Sr{sub 3}N){sub 2}[Ga{sub 4}] up to several mm in size were grown from mixtures of the respective elements and binary alkaline-earth metal nitrides in reactive lithium melts employing a modified high-temperature centrifugation-aided filtration (HTCAF) technique. The main structural features of these isotypic phases are stella quadrangula building units [Ga{sub 4}]Li{sub 4/2} and octahedra (Nae{sub 6/2}), which form two independent interpenetrating networks. The phases crystallize in the η-carbide structure and represent diamagnetic small bandgap semiconductors. Real-space chemical bonding analysis indicates predominantly ionic bonding. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  4. Alkaline earth-based coordination polymers derived from a cyclotriphosphazene-functionalized hexacarboxylate

    Science.gov (United States)

    Ling, Yajing; Bai, Dongjie; Feng, Yunlong; He, Yabing

    2016-10-01

    Combination of hexakis(4-carboxylatephenoxy)cyclotriphosphazene with alkaline earth ions of increasing ionic radii (Mg2+, Ca2+ and Ba2+) under different solvothermal conditions yielded three new coordination polymers, and their crystal structures were determined by single-crystal X-ray diffraction analysis. The magnesium compound displays a three dimensional (3D) network structure constructed from the deprotonated ligand and the secondary building block Mg(COO)4, which can be rationalized as a (4,6)-connected topological net with the Schläfli symbol of (44·62)3(49·66)2. The calcium compound consists of 1D infinite "Ca-O" inorganic chains connected by the deprotonated ligands to from a 3D framework. The barium compound exhibits a 3D framework in which 1D "Ba-O" inorganic chains are connected together by the deprotonated organic linkers. Due to the semi-rigid nature, the ligand adopts distinctly different conformations in the three compounds. The metal ions' influence exerted on the final structure of the resulting coordination polymers is also discussed. When the radii of alkaline earth ions increases descending down the group from Mg(II) to Ba(II), the coordination number becomes larger and more versatile: from 6 in the magnesium compound, to 6,7 and 10 in the calcium compound, and to 8 and 9 in the barium compound, thus substantially influencing the resulting final framework structures. Also, the photophysical properties were investigated systematically, revealing that the three compounds are photoluminscent in the solid state at room temperature. This work demonstrates that although the multiplicity of conformation in the hexacarboxylate ligand based on the inorganic scaffold cyclotriphosphazene makes it difficult to predict how this ligand will form extended network, but provides unique opportunities for the formation of diverse inorganic-organic hybrids exhibiting rich structural topologies.

  5. Recovering heavy rare earth metals from magnet scrap

    Science.gov (United States)

    Ott, Ryan T.; McCallum, Ralph W.; Jones, Lawrence L.

    2017-08-08

    A method of treating rare earth metal-bearing permanent magnet scrap, waste or other material in a manner to recover the heavy rare earth metal content separately from the light rare earth metal content. The heavy rare earth metal content can be recovered either as a heavy rare earth metal-enriched iron based alloy or as a heavy rare earth metal based alloy.

  6. Effective alkaline metal-catalyzed oxidative delignification of hybrid poplar.

    Science.gov (United States)

    Bhalla, Aditya; Bansal, Namita; Stoklosa, Ryan J; Fountain, Mackenzie; Ralph, John; Hodge, David B; Hegg, Eric L

    2016-01-01

    Strategies to improve copper-catalyzed alkaline hydrogen peroxide (Cu-AHP) pretreatment of hybrid poplar were investigated. These improvements included a combination of increasing hydrolysis yields, while simultaneously decreasing process inputs through (i) more efficient utilization of H2O2 and (ii) the addition of an alkaline extraction step prior to the metal-catalyzed AHP pretreatment. We hypothesized that utilizing this improved process could substantially lower the chemical inputs needed during pretreatment. Hybrid poplar was pretreated utilizing a modified process in which an alkaline extraction step was incorporated prior to the Cu-AHP treatment step and H2O2 was added batch-wise over the course of 10 h. Our results revealed that the alkaline pre-extraction step improved both lignin and xylan solubilization, which ultimately led to improved glucose (86 %) and xylose (95 %) yields following enzymatic hydrolysis. An increase in the lignin solubilization was also observed with fed-batch H2O2 addition relative to batch-only addition, which again resulted in increased glucose and xylose yields (77 and 93 % versus 63 and 74 %, respectively). Importantly, combining these strategies led to significantly improved sugar yields (96 % glucose and 94 % xylose) following enzymatic hydrolysis. In addition, we found that we could substantially lower the chemical inputs (enzyme, H2O2, and catalyst), while still maintaining high product yields utilizing the improved Cu-AHP process. This pretreatment also provided a relatively pure lignin stream consisting of ≥90 % Klason lignin and only 3 % xylan and 2 % ash following precipitation. Two-dimensional heteronuclear single-quantum coherence (2D HSQC) NMR and size-exclusion chromatography demonstrated that the solubilized lignin was high molecular weight (Mw ≈ 22,000 Da) and only slightly oxidized relative to lignin from untreated poplar. This study demonstrated that the fed-batch, two-stage Cu-AHP pretreatment

  7. Ammonothermal synthesis of alkali-alkaline earth metal and alkali-rare earth metal carbodiimides. K{sub 5-x}M{sub x}(CN{sub 2}){sub 2+x}(HCN{sub 2}){sub 1-x} (M = Sr, Eu) and Na{sub 4.32}Sr{sub 0.68}(CN{sub 2}){sub 2.68}(HCN{sub 2}){sub 0.32}

    Energy Technology Data Exchange (ETDEWEB)

    Mallmann, Mathias; Haeusler, Jonas; Cordes, Niklas; Schnick, Wolfgang [Department of Chemistry, University of Munich (LMU) (Germany)

    2017-12-13

    Alkali-alkaline earth metal and alkali-rare earth metal carbodiimides, namely K{sub 5-x}M{sub x}(CN{sub 2}){sub 2+x}(HCN{sub 2}){sub 1-x} (x = 0 - 1) (M = Sr, Eu) and Na{sub 4.32}Sr{sub 0.68}(CN{sub 2}){sub 2.68}(HCN{sub 2}){sub 0.32}, were synthesized under ammonothermal conditions in high-pressure autoclaves. The structures of the three compounds can be derived from homeotypic K{sub 5}H(CN{sub 2}){sub 3} and Na{sub 5}H(CN{sub 2}){sub 3} by partial substitution of K{sup +} or Na{sup +}by Sr{sup 2+} or Eu{sup 2+}. The reactions were carried out in two step syntheses (T{sub 1} = 673 K, T{sub 2} = 823 K) starting from sodium or potassium azide, dicyandiamide and strontium or Eu(NH{sub 2}){sub 2}, respectively. The crystal structures were solved and refined from single-crystal X-ray diffraction data [K{sub 4.16}Sr{sub 0.84}(CN{sub 2}){sub 2.84}(HCN{sub 2}){sub 0.16}: space group Im3m (no. 229), a = 7.8304(5) Aa, Z = 2, R{sub 1} = 0.024, wR{sub 2} = 0.052; K{sub 4.40}Eu{sub 0.60}(CN{sub 2}){sub 2.60}(HCN{sub 2}){sub 0.40}: space group Im anti 3m (no. 229), a = 7.8502(6) Aa, Z = 2, R{sub 1} = 0.022, wR{sub 2} = 0.049]. In contrast to the potassium carbodiimides, the sodium-strontium carbodiimide was only synthesized as microcrystalline powder. The crystal structure was determined by powder X-ray diffraction and refined by the Rietveld method [Na{sub 4.32}Sr{sub 0.68}(CN{sub 2}){sub 2.68}(HCN{sub 2}){sub 0.32}: space group Im3m (no. 229), a = 7.2412(1) Aa, Z = 2, R{sub wp} = 0.050]. The presence of hydrogencyanamide units ([HNCN]{sup -}) next to carbodiimide units ([CN{sub 2}]{sup 2-}) in all compounds was confirmed by FT-IR spectroscopy. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  8. Alkali-metal/alkaline-earth-metal fluorine beryllium borate NaSr{sub 3}Be{sub 3}B{sub 3}O{sub 9}F{sub 4} with large nonlinear optical properties in the deep-ultraviolet region

    Energy Technology Data Exchange (ETDEWEB)

    Reshak, A. H., E-mail: maalidph@yahoo.com [New Technologies—Research Centre, University of West Bohemia, Univerzitni 8, 306 14 Pilsen (Czech Republic); Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia); Huang, Hongwei [School of Materials Science and Technology, China University of Geosciences, Beijing 100083 (China); Kamarudin, H. [Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia); Auluck, S. [Council of Scientific and Industrial Research—National Physical Laboratory, Dr. K S Krishnan Marg, New Delhi 110012, India and Physics Department, Indian Institute of Technology - Delhi, Hauz Khas, New Delhi 110016 (India)

    2015-02-28

    The linear optical response and second harmonic generation (SHG) in alkali-metal/alkaline-earth-metal fluorine beryllium borate NaSr{sub 3}Be{sub 3}B{sub 3}O{sub 9}F{sub 4} are investigated by means of density functional theory. Calculations are performed using four types of exchange correlations: Ceperley-Alder local density approximation, Perdew Burke and Ernzerhof general gradient approximation, Engel-Vosko generalized gradient approximation, and the recently modified Becke-Johnson potential (mBJ). The mBJ approach brings the calculated band gap (7.20 eV) in excellent agreement with the experimental one (7.28 eV). The calculated values of the uniaxial anisotropy δε=−0.076 and the birefringence Δn(0)=0.052 indicate considerable anisotropy in the linear optical properties, which makes it favorable for the second harmonic generation. The dominant component of the second harmonic generation is χ{sub 111}{sup (2)}(ω). The value of |χ{sub 111}{sup (2)}(ω)| is about 1.2 pm/V at λ = 1064 nm in agreement with previous calculations. To analyze the origin of the high SHG of NaSr{sub 3}Be{sub 3}B{sub 3}O{sub 9}F{sub 4} single crystals, we have correlated the features of |χ{sub 111}{sup (2)}(ω)| spectra with the features of ε{sub 2}(ω) spectra as a function of ω/2 and ω. From the calculated dominant component |χ{sub 111}{sup (2)}(ω)|, we find that the microscopic first hyperpolarizability, β{sub 111}, the vector components along the dipole moment direction is 0.5 × 10{sup −30} esu at static limit and 0.6 × 10{sup −30} esu at λ = 1064 nm.

  9. Spectroscopic characterization of manganese-doped alkaline earth ...

    Indian Academy of Sciences (India)

    technological applications, such as medical use and sealing materials.5. The interest in glasses containing transition metal ions has grown6 because these ... mation on some of structural and dynamic phenomenon of a material; and to identify the site symmetry around the transi- tion metal ions in glasses.8 The aim of ...

  10. A new method for alkaline dissolution of uranium metal foil

    International Nuclear Information System (INIS)

    Mondino, A.V.; Wilkinson, M.V.; Manzini, A.C.

    2001-01-01

    In order to develop a production process of 99 Mo by fission of low-enriched uranium, the first purification step, which consists of dissolution of a uranium metal foil target, was studied. It was found that alkaline NaClO gave good results, reaching the dissolution of up to 300 μm of uranium foil. The different conditions for the dissolution were studied and the optimum ones were found. The influence of NaClO and NaOH concentration, temperature, dissolving solution volume per unit of surface and dissolution time were investigated. During this step, a gas identified as H 2 , was generated, and a precipitate characterized as Na 2 U 2 O 7 was observed. A stoichiometric reaction for this uranium dissolution is proposed. (author)

  11. Modelling the crystallisation of alkaline earth boroaluminosilicate glass ceramics

    DEFF Research Database (Denmark)

    Svenson, Mouritz Nolsøe; Agersted, Karsten; Holm, Paul Martin

    2014-01-01

    -empirical optimisation of boron and alkali/alkali earth oxide activities in the liquid oxide solution, significantly improved fits between modelled and experimental results were obtained. Based on these results, it is suggested that more precise descriptions of higher order interactions need to be addressed, to account...

  12. Study of solubility of akaline earth metals in liquid iron and in alloys on its base

    International Nuclear Information System (INIS)

    Ageev, Yu.A.; Archugov, S.A.

    1985-01-01

    Solubility of magnesium, calcium, strontium and barium in liquid iron and its alloys with aluminium, silicon, nickel, chromium and carbon at 1600 deg C has been measured. Interaction parameters taking account of the effect of added elements on alkaline earth metal solubility in liquid iron have been estimated

  13. Depolarizing collisions with hydrogen: Neutral and singly ionized alkaline earths

    Energy Technology Data Exchange (ETDEWEB)

    Manso Sainz, Rafael; Ramos, Andrés Asensio; Bueno, Javier Trujillo [Instituto de Astrofísica de Canarias, Vía Láctea s/n, E-38205 La Laguna, Tenerife (Spain); Roncero, Octavio; Sanz-Sanz, Cristina [Instituto de Física Fundamental (IFF-CSIC), CSIC, Serrano 123, E-28006 Madrid (Spain); Aguado, Alfredo, E-mail: octavio.roncero@csic.es [Departamento de Química Física, Unidad Asociada UAM-CSIC, Facultad de Ciencias M-14, Universidad Autónoma de Madrid, E-28049 Madrid (Spain)

    2014-06-20

    Depolarizing collisions are elastic or quasielastic collisions that equalize the populations and destroy the coherence between the magnetic sublevels of atomic levels. In astrophysical plasmas, the main depolarizing collider is neutral hydrogen. We consider depolarizing rates on the lowest levels of neutral and singly ionized alkali earths Mg I, Sr I, Ba I, Mg II, Ca II, and Ba II, due to collisions with H°. We compute ab initio potential curves of the atom-H° system and solve the quantum mechanical dynamics. From the scattering amplitudes, we calculate the depolarizing rates for Maxwellian distributions of colliders at temperatures T ≤ 10,000 K. A comparative analysis of our results and previous calculations in the literature is completed. We discuss the effect of these rates on the formation of scattering polarization patterns of resonant lines of alkali earths in the solar atmosphere, and their effect on Hanle effect diagnostics of solar magnetic fields.

  14. Light shifts and magic wavelengths for heavy alkaline earth elements : Ba and Ra

    NARCIS (Netherlands)

    Dammalapati, U.; Santra, B.; Willmann, L.

    2012-01-01

    In this paper, we investigate light shifts of heavy alkaline earth elements barium (Ba) and radium (Ra), which are interesting for optical lattice clocks and for permanent electric dipole moment searches. Detailed knowledge is required in the design of efficient loading of atoms from a

  15. Formation of H- by charge transfer in alkaline-earth vapors

    International Nuclear Information System (INIS)

    Schlachter, A.S.; Morgan, T.J.

    1983-10-01

    Progress on the study of H - formation by charge transfer in alkaline-earth vapors is reported. The H - equilibrium yield in strontium vapor reaches a maximum of 50% at an energy of 250 eV/amu, which is the highest H - yield reported to date

  16. effects of mixed of mixed of mixed alkaline earth oxides in potash

    African Journals Online (AJOL)

    eobe

    2 DEPARTMENT OF MECHANICAL ENGINEERING, UNIVERSITY OF UYO,UYO, AKWA-IBOM STATE, NIGERIA. E-mail address mail address mail addresses: 1 oyeahama1@yahoo.com, 2 memetie@yahoo.com. ABSTRACT. The aim of this work is to investigate the effects of mixed alkaline earth oxide. The aim of this work ...

  17. Propane selective oxidation on alkaline earth exchanged zeolite Y: room temperature in situ IR study

    NARCIS (Netherlands)

    Xu, J.; Mojet, Barbara; van Ommen, J.G.; Lefferts, Leonardus

    2003-01-01

    The effect of zeolite Y ion-exchanged with a series of alkaline-earth cations on selective propane oxidation at room temperature was studied with in situ infrared spectroscopy. Isopropylhydroperoxide was observed as a reaction intermediate and can be decomposed into acetone and water. Contrary to

  18. Environmental effects on fatigue of alkaline earth aluminosilicate glass with varying fictive temperature

    DEFF Research Database (Denmark)

    Striepe, Simon; Deubener, Joachim; Smedskjær, Morten Mattrup

    2013-01-01

    The influence of relative humidity on microhardness, stress intensity, crack resistance, and sub-critical crack growth of an alkaline earth aluminosilicate glass has been studied by Vickers indentation. Quenched and annealed glasses with a wide range of fictive temperatures (ΔTf ≈ 130 K) are comp...

  19. Non-stoichiometry, Compensation and Disorder in Hybrid MBE-grown Alkaline Earth Stannate

    Science.gov (United States)

    Wang, Tianqi; Prakash, Abhinav; Nunn, William; Haugstad, Greg; Jalan, Bharat

    Alkaline earth stannate has recently been of significant interest for transparent conducting oxide and power electronic applications owing to its wide band gap and high conductivity. In this talk, we will present a novel hybrid molecular beam epitaxy approach utilizing elemental solid source for Ba and Sr, a chemical precursor source for Sn and a rf plasma source for oxygen, for the growth of BaSnO3 and SrSnO3 films on (001) SrTiO3 and (110) GdScO3 substrates. High-resolution x-ray diffraction and reflection high-energy electron diffraction revealed single phase, epitaxial films and a layer-by-layer growth mode, respectively. Films' cation stoichiometry was determined using high energy Rutherford backscattering spectrometry. Using temperature dependent electronic transport measurements of films with varying cation stoichiometry, we will discuss how cation stoichiometry, charge compensation and structural disorder influence the metal-to-insulator transition, electron density, and mobility in La-doped BaSnO3 and SrSnO3 films. worked supported by NSF.

  20. Improvement to a production process of rare earth hydroxide by treatment of ores containing rare earth phosphates

    International Nuclear Information System (INIS)

    Fabre, F.; Lambert, A.; Tognet, J.P.

    1987-01-01

    Ore is treated by an aqueous solution of alkaline metal hydroxide and solid rare earth hydroxides are separated. For recycling the alkaline hydroxide after concentration the alkaline metal phosphate is crystallized and then alkaline earth metal hydroxide is added to avoid silicates concentration in the recycled solution [fr

  1. Formation of H a - hydrogen centers upon additive coloration of alkaline-earth fluoride crystals

    Science.gov (United States)

    Radzhabov, E. A.; Egranov, A. V.; Shendrik, R. Yu.

    2017-06-01

    The mechanism of coloration of alkaline-earth fluoride crystals CaF2, SrF2, and BaF2 in calcium vapors in an autoclave with a cold zone is studied. It was found that the pressure in the autoclave upon constant evacuation by a vacuum pump within the temperature range of 500-800°C increases due to evaporation of metal calcium. In addition to the optical-absorption bands of color centers in the additively colored undoped crystals or to the bands of divalent ions in the crystals doped with rare-earth Sm, Yb, and Tm elements, there appear intense bands in the vacuum ultraviolet region at 7.7, 7.0, and 6.025 eV in CaF2, SrF2, and BaF2, respectively. These bands belong to the Ha - hydrogen centers. The formation of hydrogen centers is also confirmed by the appearance of the EPR signal of interstitial hydrogen atoms after X-ray irradiation of the additively colored crystals. Grinding of the outer edges of the colored crystals leads to a decrease in the hydrogen absorption-band intensity with depth to complete disappearance. The rate of hydrogen penetration inside the crystal is lower than the corresponding rate of color centers (anion vacancies) by a factor of tens. The visible color density of the outer regions of the hydrogen-containing crystals is several times lower than that of the inner region due to the competition between the color centers and hydrogen centers.

  2. Alkali metal and alkali earth metal gadolinium halide scintillators

    Science.gov (United States)

    Bourret-Courchesne, Edith; Derenzo, Stephen E.; Parms, Shameka; Porter-Chapman, Yetta D.; Wiggins, Latoria K.

    2016-08-02

    The present invention provides for a composition comprising an inorganic scintillator comprising a gadolinium halide, optionally cerium-doped, having the formula A.sub.nGdX.sub.m:Ce; wherein A is nothing, an alkali metal, such as Li or Na, or an alkali earth metal, such as Ba; X is F, Br, Cl, or I; n is an integer from 1 to 2; m is an integer from 4 to 7; and the molar percent of cerium is 0% to 100%. The gadolinium halides or alkali earth metal gadolinium halides are scintillators and produce a bright luminescence upon irradiation by a suitable radiation.

  3. The Kvanefjeld rare earth and uranium deposits in the llimaussaq alkaline complex (Greenland)

    International Nuclear Information System (INIS)

    Lagny, Ph.

    2012-01-01

    Presentation of the Kvanefjeld deposit in Greenland, a new rare earth deposit that will be in production in a near future, and which is included in the llimaussaq alkaline complex located at the southern end of Greenland. Apart from the fact that it contains considerable amounts of rare earths and uranium, the main interest of this deposit is that its ore includes a relatively high part of heavy rare earths which are particularly searched for by a large number of industrial applications. The geology of the deposit is detailed and commented

  4. Effect of the kind of alkaline and rare earth ions on the structure of a glass rich in earth

    International Nuclear Information System (INIS)

    Quintas, Arnaud; Caurant, Daniel; Majerus, Odile; Lenoir, Marion; Dussossoy, Jean-Luc; Charpentier, Thibault; Neuville, Daniel R.; Gervais, C.

    2006-01-01

    In the framework of a structural study of a nuclear wastes containment glass of type alumino borosilicate and rich in rare earths, the influence of the kind of alkaline or rare earth ions is analyzed. For that, two glasses series have been prepared in which the Na + ion (respectively Ca 2+ ions) present in the standard composition is totally substituted by another alkaline ion Li + , K + , Rb + or Cs + (respectively another rare earth ion Mg 2+ , Sr 2+ or Ba 2+ ). These glasses, analyzed by optical absorption, Raman and 27 Al or 11 B NMR spectroscopies have revealed the strong impact of the kind of the modifying ion as well as the structure of the vitreous lattice (variation of the ratio BO 3 /BO 4 and local variations of the polymerization degree) than the local surroundings of the rare earth (decrease of the covalency degree of the bond Nd-O with the increase of the field force of the modifying ion). (O.M.)

  5. Theoretical study of Ce2+ cubic centres in alkaline earth fluoride crystals

    International Nuclear Information System (INIS)

    Popov, N.; Mysovsky, A.; Shendrik, R.; Radzhabov, E.

    2016-01-01

    In this paper we present theoretical study of Ce 2+ impurity centres in alkaline earth fluoride crystals (CaF 2 , SrF 2 ). Only cubic configurations of centres were considered. Electronic levels and related properties were studied using CASSCF/CASPT2 approach within embedded-cluster formalism including scalar relativistic corrections and spin-orbital interaction. Calculated absorption spectra for Ce 2+ in CaF 2 and SrF 2 are in good agreement with experimental data. For both crystals the ground state of Ce 2+ ion has predominantly 4f 1 5d 1 singlet character. - Highlights: • Ab inito study of Ce 2+ impurity centres in alkaline earth fluoride crystals. • Calculated Ce 2+ ground state in CaF 2 and SrF 2 is predominantly 4f 1 5d 1 singlet. • Calculated absorption spectra are in good agreement width experimental data.

  6. IUPAC-NIST Solubility Data Series. 95. Alkaline Earth Carbonates in Aqueous Systems. Part 2. Ca

    International Nuclear Information System (INIS)

    De Visscher, Alex; Vanderdeelen, Jan

    2012-01-01

    The alkaline earth carbonates are an important class of minerals. This article is part of a volume in the IUPAC-NIST Solubility Data Series that compiles and critically evaluates solubility data of the alkaline earth carbonates in water and in simple aqueous electrolyte solutions. Part 1 outlined the procedure adopted in this volume, and presented the beryllium and magnesium carbonates. Part 2, the current paper, compiles and critically evaluates the solubility data of calcium carbonate. The chemical forms included are the anhydrous CaCO 3 types calcite, aragonite, and vaterite, the monohydrate monohydrocalcite (CaCO 3 · H 2 O), the hexahydrate ikaite (CaCO 3 ·6H 2 O), and an amorphous form. The data were analyzed with two model variants, and thermodynamic data of each form consistent with each of the models and with the CODATA key values for thermodynamics are presented.

  7. Influence of alkali and alkaline earth ions on the O-alkylation of the ...

    Indian Academy of Sciences (India)

    WINTEC

    Influence of alkali and alkaline earth ions on the O-alkylation of the lower rim phenolic-OH groups of p-tert-butyl-calix[4]arene to result in amide-pendants: Template action of K. + and the structure of. K. + bound tetra-amide derivative crystallized with a p-tert-butyl- calix[4]arene anion. AMJAD ALI,1,3 CHEBROLU P RAO1,* ...

  8. Isosteric heat of water adsorption and desorption in homoionic alkaline-earth montmorillonites

    Science.gov (United States)

    Belhocine, M.; Haouzi, A.; Bassou, G.; Phou, T.; Maurin, D.; Bantignies, J. L.; Henn, F.

    2018-02-01

    The aim of the present work is to study by means of thermodynamic measurements and Infrared spectroscopy, the effect of the interlayer cations on the adsorption-desorption of water in the case of a montmorillonite exchanged with alkaline-earth metals. For the first time, the net isosteric heat of water adsorption and desorption is determined from isotherms recorded at three temperatures. The net isosteric heat is a very useful parameter for getting more insights into the sorption mechanism since it provides information about the sorption energy evolution which can be complementary to that obtained from structural or gravimetric measurements. The homoionic montmorillonite samples are prepared from purification and cationic exchanged in aqueous solution of the raw material, i.e. the reference SWy-2 Wyoming material. XRD at the dry state and elemental chemical analysis confirm that the treatment does not deteriorate the clay structure and yield the expected homoionic composition. The sorption isotherms measured at various temperatures show that the nature of the interlayer, i.e. exchangeable, cation changes the adsorbed/desorbed amount of water molecules for a given water relative pressure. The total amount of water adsorbed at P/P∘ = 0.5 follows the cation sequence Ca ∼ Mg>Ba while the sorption isosteric heats follow a slightly different sequence, i.e. Ca > Mg>Ba. This discrepancy between the adsorption and desorption heat is due to the higher irreversibility of water sorption process in the Ca exchanged montmorillonite. Finally, analysis of the IR spectra recorded at room temperature and under a primary vacuum reveals that the amount of adsorbed water follows the same sequence as that of the isosteric heat of adsorption and shows the coexistence of liquid-like and solid-like water confined in the interlayer space.

  9. Selective alkaline stripping of metal ions after solvent extraction by base-stable 1,2,3-triazolium ionic liquids.

    Science.gov (United States)

    Raiguel, Stijn; Depuydt, Daphne; Vander Hoogerstraete, Tom; Thomas, Joice; Dehaen, Wim; Binnemans, Koen

    2017-04-19

    Novel 1,2,3-triazolium ionic liquids with a high base stability were synthesized for use in solvent extraction of first-row transition elements and rare earths from chloride media. The synthesis of these ionic liquids makes use of a recently reported, metal-free multicomponent reaction that allows full substitution of the 1,2,3-triazolium skeleton. The physical and chemical properties of these ionic liquids are compared with those of a trisubstituted analog. Peralkylation of the 1,2,3-triazolium skeleton leads to ionic liquids with superior properties, such as low viscosity, low solubility in water and higher thermal and base stability. Iodide and thiocyanate ionic liquids with peralkylated cations were applied to the solvent extraction of metal ions, and their stability in alkaline media was exploited in the selective stripping of the metals from the loaded ionic liquid phase by alkaline solutions. EXAFS and Raman spectroscopy were performed to gain insight into the extraction mechanism. The applicability of these extraction systems was demonstrated in separations relevant for the recovery of metals from ores and end-of-life products: Fe(iii)/Cu(ii)/Zn(ii) (copper ores, brass scraps) and Fe(iii)/Nd(iii) (rare earth magnets).

  10. Comparative DFT study of van der Waals complexes: rare-gas dimers, alkaline-earth dimers, zinc dimer, and zinc-rare-gas dimers.

    Science.gov (United States)

    Zhao, Yan; Truhlar, Donald G

    2006-04-20

    Recent interest in the application of density functional theory prompted us to test various functionals for the van der Waals interactions in the rare-gas dimers, the alkaline-earth metal dimers, zinc dimer, and zinc-rare-gas dimers. In the present study, we report such tests for 18 DFT functionals, including both some very recent functionals and some well-established older ones. We draw the following conclusions based on the mean errors in binding energies and complex geometries: (1) B97-1 gives the best performance for predicting the geometry of rare-gas dimers, whereas M05-2X and B97-1 give the best energetics for rare-gas dimers. (2) PWB6K gives the best performance for the prediction of the geometry of the alkaline-earth metal dimers, zinc dimers, and zinc-rare-gas dimers. M05-2X gives the best energetics for the metal dimers, whereas B97-1 gives the best energetics for the zinc-rare-gas dimers. (3) The M05 functional is unique in providing good accuracy for both covalent transition-metal dimers and van der Waals metal dimers. (4) The combined mean percentage unsigned error in geometries and energetics shows that M05-2X and MPWB1K are the overall best methods for the prediction of van der Waals interactions in metal and rare-gas van der Waals dimers.

  11. Maternal exposure to alkali, alkali earth, transition and other metals: Concentrations and predictors of exposure.

    Science.gov (United States)

    Hinwood, A L; Stasinska, A; Callan, A C; Heyworth, J; Ramalingam, M; Boyce, M; McCafferty, P; Odland, J Ø

    2015-09-01

    Most studies of metals exposure focus on the heavy metals. There are many other metals (the transition, alkali and alkaline earth metals in particular) in common use in electronics, defense industries, emitted via combustion and which are naturally present in the environment, that have received limited attention in terms of human exposure. We analysed samples of whole blood (172), urine (173) and drinking water (172) for antimony, beryllium, bismuth, cesium, gallium, rubidium, silver, strontium, thallium, thorium and vanadium using ICPMS. In general most metals concentrations were low and below the analytical limit of detection with some high concentrations observed. Few factors examined in regression models were shown to influence biological metals concentrations and explained little of the variation. Further study is required to establish the source of metals exposures at the high end of the ranges of concentrations measured and the potential for any adverse health impacts in children. Crown Copyright © 2015. Published by Elsevier Ltd. All rights reserved.

  12. Structural variations in layered alkaline earth metal cyclohexyl ...

    Indian Academy of Sciences (India)

    Administrator

    sensors and nonlinear optical materials (Wan et al 1994). Zirconium phosphonates were the first examples of this class of compounds which has structures ... various diseases of bones and calcium metabolism made the chemistry of calcium phosphonates particularly appealing. This led to the synthesis and structural ...

  13. Synthesis and infrared spectra of alkaline earth metal carbonates ...

    Indian Academy of Sciences (India)

    Unknown

    ... Sr2+ and Ba2+ salts with urea at high temperature, ~ 80°C. The reaction products were characterized through elemental analysis and infrared spectra. The infrared spectra of the products are the same as those of the corresponding commercially obtained carbonates. A general reaction describing the formation of MCO3 ...

  14. Structural variations in layered alkaline earth metal cyclohexyl ...

    Indian Academy of Sciences (India)

    2O) (M = Ca, Sr and Ba) (1–3) and M(C6H11PO3)(H2O) (M = Mg, Ca, Sr, and Ba) (4–7) have been synthesized under mild reaction conditions. All new compounds have been characterized using elemental analysis, IR, TGA and powder X-ray ...

  15. Destructive Adsorption of Carbon Tetrachloride on Alkaline Earth Metal Oxides

    NARCIS (Netherlands)

    Weckhuysen, B.M.; Mestl, Gerhard; Rosynek, Michael P.; Krawietz, Thomas R.; Haw, James F.; Lunsford, Jack H.

    1998-01-01

    The destructive adsorption of CCl4 on MgO, CaO, SrO, and BaO has been studied as a function of the reaction temperature and the amount of CCl4 injected. The reaction was followed using in situ Raman spectroscopy, X-ray photoelectron spectroscopy, Fourier transform infrared spectroscopy, and 13 C

  16. Calculation of the electronic structure and contact hyperfine parameters of interstitial hydrogen in alkaline - earth fluorides

    International Nuclear Information System (INIS)

    Oliveira, L.E.M.C. de.

    1976-01-01

    The electronic structure of the interstitial hydrogen atom in alkaline-earth fluorides has been studied using the self-consistent-field multiple-scattering Xα method. In the calculations a cluster constituted by the hydrogen atom and its first anion and cation neighbors has been used. The contact parameters with the proton and the fluorine nuclei have been evaluated. The agreement obtained with the experimental results is in general good and indicates that this method is also appropriate to study defects in ionic crystals. (author) [pt

  17. Modifying the size and shape of monodisperse bifunctional alkaline-earth fluoride nanocrystals through lanthanide doping.

    Science.gov (United States)

    Chen, Daqin; Yu, Yunlong; Huang, Feng; Huang, Ping; Yang, Anping; Wang, Yuansheng

    2010-07-28

    In this communication, a simple route for modifying the uneven size and shape of alkaline-earth fluoride nanophases to monodisperse ultrasmall nanospheres through lanthanide doping is offered. These nanospheres are found to exhibit bifunctionality, i.e., tunable upconversion emissions as well as proper paramagnetism, making them potentially applicable in the biological field. The synthesis strategy, which involves doping of an impurity with a different valence than the cation in the nanophase, might be useful for controlling the solution growth of some technologically important nanomaterials.

  18. Rare earth metals, rare earth hydrides, and rare earth oxides as thin films

    International Nuclear Information System (INIS)

    Gasgnier, M.

    1980-01-01

    The review deals with pure rare earth materials such as rare earth metals, rare earth hydrides, and rare earth oxides as thin films. Several preparation techniques, control methods, and nature of possible contaminations of thin films are described. These films can now be produced in an extremely well-known state concerning chemical composition, structure and texture. Structural, electric, magnetic, and optical properties of thin films are studied and discussed in comparison with the bulk state. The greatest contamination of metallic rare earth thin films is caused by reaction with hydrogen or with water vapour. The compound with an f.c.c. structure is the dihydride LnH 2 (Ln = lanthanides). The oxygen contamination takes place after annealing at higher temperatures. Then there appears a compound with a b.c.c. structure which is the C-type sesquioxide C-Ln 2 O 3 . At room atmosphere dihydride light rare earth thin films are converted to hydroxide Ln(OH) 3 . For heavy rare earth thin films the oxinitride LnNsub(x)Osub(y) is observed. The LnO-type compound was never seen. The present review tries to set the stage anew for the investigations to be undertaken in the future especially through the new generations of electron microscopes

  19. Novel Extraction Process Of Rare Earth Elements From NdFeB Powders Via Alkaline Treatment

    Directory of Open Access Journals (Sweden)

    Chung K.W.

    2015-06-01

    Full Text Available The alkaline treatment of NdFeB powders in NaOH solution at various equivalent amounts of NaOH at 100°C was performed. The resultant powders were then leached in 0.5M H2SO4 solution at 25°C for 2 minutes. At 5 equivalents of NaOH, neodymium in NdFeB powders was partially transformed to neodymium hydroxide. The transformation of neodymium to neodymium hydroxide actually occurred at 10 equivalents of NaOH and was facilitated by increasing the equivalent of NaOH from 10 to 30. In addition, iron was partially transformed to magnetite during the alkaline treatment, which was also promoted at a higher equivalent of NaOH. The leaching yield of neodymium from alkaline-treated powders was increased with an increasing equivalent of NaOH up to 10; however, it slightly decreased with the equivalent NaOH of over 10. The leaching yield of iron was inversely proportional to that of rare earth elements. NdFeB powders treated at 10 equivalents of NaOH showed a maximum leaching yield of neodymium and dysprosium of 91.6% and 94.6%, respectively, and the lowest leaching yield of iron of 24.2%, resulting in the highest selective leaching efficiency of 69.4%.

  20. Radium, uranium and metals in acidic or alkaline uranium mill

    International Nuclear Information System (INIS)

    Somot, St.

    1997-01-01

    Uranium mill study sites have been chosen in function of their different characteristics: deposits age, treatment nature (alkaline or acid), mill origin. The realization of specific drilling allowed the simultaneous study of the interstitial water and the solid fraction of samples, cut at determined deep. A radiation imbalance between 230 Th and 226 Ra is observed in the acid treatment residues. The trace elements concentration spectrum is directly bound to the nature of the ore. Diamagnetic evolutions are observed in residues. The uranium concentrations are higher in carbonated waters than in calcic sulfated waters. The selective sequential lixiviation showed that the 226 Ra activity of the interstitial water is controlled by the Gypsum in acid treatment residues. In other hand in the alkaline treatment waters, the carbonates occur. The Ra retention is largely bound to the Fe and Mn oxy-hydroxides. (A.L.B.)

  1. Red-emitting alkaline-earth rare-earth pentaoxometallates powders ...

    Indian Academy of Sciences (India)

    Moisture-insensitive metal carboxylates that are mostly liquids at room temperature have been first applied to the preparation of strontium europium aluminate (Sr2EuAlO5) powders for red-emitting phosphor under near ultraviolet radiation. Strontium naphthenate, aluminium-2-ethylhexanoate and ...

  2. Health Effects of Alkaline Diet and Water, Reduction of Digestive-tract Bacterial Load, and Earthing.

    Science.gov (United States)

    Mousa, Haider Abdul-Lateef

    2016-04-01

    In the article, the author discusses the issue of chronic, low-grade acidosis that is thought to be brought about primarily by 2 factors: (1) advancing age, with a consequent decline in renal function; and (2) diet. An acid-forming diet can induce low-grade metabolic acidosis, which causes very small decreases in blood pH and plasma bicarbonate (HCO3-) that remain within the range considered to be normal. However, if the duration of the acidosis is prolonged or chronically present, even a low degree of acidosis can become significant. This article reviews supporting evidence in the literature that has shown that consumption of abundant alkaline-forming foods can result in improvement in bone mineral density (BMD) and muscle mass, protection from chronic illnesses, reduced tumor-cell invasion and metastasis, and effective excretion of toxins from the body. In addition, a large number of studies showing the benefits of alkaline water (mineral water) have revealed that people consuming water with a high level of total dissolved solids (TDS) (ie, with a high mineral content) have shown a lower incidence of coronary heart disease (CHD), cardiovascular disease (CVD), and cancer and lower total mortality rates. Consumption of alkaline water also may prevent osteoporosis and protect pancreatic beta cells with its antioxidant effects. In addition, this article discusses the literature that shows that reducing digestive-tract bacterial load can play an important role in increasing blood alkalinity toward the normal upper limit. That change occurs through good oral hygiene, flossing of teeth, perfect chewing of food, and bowel evacuation as soon as possible. Finally, the author reviews the literature that shows that earthing (ie, the direct contact of the human body with the earth) can supply a current of plentiful electrons. Earthing has been shown to reduce acute and chronic inflammation, blood glucose in patients with diabetes, red blood cell (RBC) aggregation, and blood

  3. Synthesis and luminescence of Eu2+-doped alkaline-earth apatites for application in white LED

    International Nuclear Information System (INIS)

    Zhang Xinguo; Zhang Jilin; Huang Jinqing; Tang Xueping; Gong Menglian

    2010-01-01

    A series of Eu 2+ -doped alkaline-earth apatites (alkaline-earth=Ca, Sr and Ba) were synthesized by a solid state reaction method with excess chlorides, and the effect of the used excess chlorides on the luminescent property of the synthesized products was discussed. Photoluminescence measurements showed that Eu 2+ -doped calcium apatite exhibited intensely blue wide-band emission peaking at 457 nm under near UV excitation among the Eu 2+ -doped Ca, Sr and Ba apatites. Blue and white LEDs were successfully fabricated by pre-coating the calcium apatite phosphors onto ∼395 nm-emitting InGaN chips. The CIE coordinates, color temperature, luminous efficacy and rendering index value of the fabricated white LED are (0.3432, 0.3234), 4969 K, 8 lm/W and 80, respectively. The results indicate that the Eu 2+ -activated calcium apatite phosphor is a promising candidate as a blue component for fabrication of near UV-based white LEDs.

  4. Modelling three-dimensional-quench cooling for alkaline-earth atoms

    CERN Document Server

    Mehlstaeubler, T E; Douillet, A; Rehbein, N; Rasel, E M; Ertmer, W

    2003-01-01

    Quench cooling is a promising technique to reach ultra-cold temperatures in alkaline-earth atoms by Doppler cooling on ultra-narrow transitions. The principles of quench cooling are derived from an effective two-level system with a linewidth adjustable by the quenching laser. A tunable linewidth reconciles the contradictory requirements of a fast cooling rate and a high velocity selectivity at high and low temperatures, respectively. In this paper, we investigate the efficiency of quench cooling in alkaline-earth systems. We present a one-dimensional analytical description of the quenching process. Cooling and trapping in three dimensions is studied with semi-classical Monte Carlo simulations. Our results for magnesium indicate a loading efficiency of up to 40% of pre-cooled atoms at 2 mK into a QuenchMOT. Final temperatures of 9 mu K and an increase in phase-space density by almost five orders of magnitude are observed in the simulations.

  5. Ion exchange of alkaline metals on the thin-layer zinc ferrocyanide

    International Nuclear Information System (INIS)

    Betenekov, N.D.; Buklanov, G.V.; Ipatova, E.G.; Korotkin, Yu.S.

    1991-01-01

    Basic regularities of interphase distribution in the system of thin-layer sorbent on the basis of mixed zinc ferrocyanide (FZ)-alkaline metal solution (Na, K, Rb, Cs, Fr) in the column chromatography made are studied. It is established that interphase distribution of microgram amounts of alkaline metals in the systems thin-layer FZ-NH 4 NO 3 electrolyte solutions is of ion-exchange character and subjected to of law effective mass. It is shown that FZ thin-layer material is applicable for effective chromatographic separation of alkaline metal trace amounts. An approach to the choice of a conditions of separate elution of Na, K, Rb, Cs, Fr in the column chromatography mode

  6. Metal adsorbent for alkaline etching aqua solutions of Si wafer

    International Nuclear Information System (INIS)

    Tamada, Masao; Ueki, Yuji; Seko, Noriaki; Takeda, Toshihide; Kawano, Shin-ichi

    2012-01-01

    High performance adsorbent is expected to be synthesized for the removal of Ni and Cu ions from strong alkaline solution used in the surface etching process of Si wafer. Fibrous adsorbent was synthesized by radiation-induce emulsion graft polymerization onto polyethylene nonwoven fabric and subsequent amination. The reaction condition was optimized using 30 L reaction vessel and nonwoven fabric, 0.3 m width and 18 m long. The resulting fibrous adsorbent was evaluated by 48 wt% NaOH and KOH contaminated with Ni and Cu ions, respectively. The concentration levels of Ni and Cu ions was reduced to less than 1 μg/kg (ppb) at the flow rate of 10 h −1 in space velocity. The life of adsorbent was 30 times higher than that of the commercialized resin. This novel adsorbent was commercialized as METOLATE ® since the ability of adsorption is remarkably higher than that of commercial resin used practically in Si wafer processing. - Highlights: ► Adsorbent was synthesized by radiation-induced emulsion graft polymerization. ► Degree of grafting reached 120% at the pre-irradiation of 50 kGy. ► The resulting adsorbent removed Ni and Cu ion in strong alkaline solution. ► Adsorbent was commercialized for filter of Si wafer etchant.

  7. Pollution control and resource reuse for alkaline hydrometallurgy of amphoteric metal hazardous wastes

    CERN Document Server

    Youcai, Zhao

    2017-01-01

    This book provides a comprehensive description of alkaline hydrometallurgy of amphoteric metal hazardous wastes. Topics focus on leaching of zinc and lead hazardous wastes, purification of leach solution of zinc and lead, electrowinning of zinc and lead from purified alkaline solutions, chemical reactions taking place in the production flowsheets, thermodynamic and spent electrolyte regeneration, alkaline hydrometallurgy of low-grade smithsonite ores, recovery of molybdenum and tungsten using ion flotation and solvent extraction processes and their application in chemical synthesis of Nb and Ta inorganic compounds, and industrial scale production of 1500-2000 t/a zinc powder using alkaline leaching–electrowinning processes. Processes described are cost-effective, generate lesser secondary pollutants, and have been applied widely in China. Readers that will find the book appealing include solid waste engineers, environmental managers, technicians, recycling coordinators, government officials, undergraduates ...

  8. Relations between structure and material properties in earth alkaline silicate basing phosphors; Struktureigenschaftsbeziehungen in Erdalkalisilikat basierenden Leuchtstoffen

    Energy Technology Data Exchange (ETDEWEB)

    Hempel, Wolfgang

    2008-03-19

    This work is basing on the relation between structure and luminescence of Eu{sup 2+} doped Earth-Alkaline-Silicates. After an overview of Earth-Alkaline-Silicates silicates with an additional cation (Li{sup +}, Al{sup 3+}) and an additional anion (Cl{sup -}, N{sup 3-}) are examined in chapter 4 and 5. Basing on this data an relation between structural influence - like ion-radii, anion and coordination polyeder - and phosphor luminescence is set up. The ability of using as an industrial phosphor is made in the final chapter. (orig.)

  9. Alkaline phosphatase activity in the subtropical ocean: insights from nutrient, dust and trace metal addition experiments

    Directory of Open Access Journals (Sweden)

    Claire eMahaffey

    2014-12-01

    Full Text Available Phosphorus is an essential nutrient for all life on earth. In the ocean, the most bioavailable form of phosphorus is inorganic phosphate, but in the extensive subtropical gyres, phosphate concentrations can be chronically low and limit primary productivity and nitrogen fixation. In these regions, organisms produce hydrolytic enzymes, such as alkaline phosphatase (AP, that enable them to utilize the more replete dissolved organic phosphorus (DOP pool to meet their cellular phosphorus demands. In this study, we synthesized data from 14 published studies and present our own findings from two research cruises (D326 and D361 in the eastern subtropical Atlantic to explore the relationship between AP activity (APA and nutrients, Saharan dust and trace metals. We found that below a threshold phosphate concentration of ~ 30 nM, APA increased with an inverse hyperbolic relationship with phosphate concentration. Meanwhile, DOP concentrations decreased with enhanced APA, indicating utilization of the DOP pool. We found APA rates were significantly higher in the subtropical Atlantic compared to the subtropical Pacific Ocean, even over the same low phosphate concentration range (0 to 50 nM. While the phosphate concentration may have a first order control on the APA rates, we speculate that other factors influence this basin scale contrast. Using bioassay experiments, we show that the addition of Saharan dust and zinc significantly increased the rate of APA. To our knowledge, our results are the first direct field-based evidence that APA is limited by zinc in the subtropical ocean. Further work is required to explore the relationship between trace metals such as iron and zinc, which are co-factors of phosphohydrolytic enzymes, specifically PhoX and PhoA, respectively, and APA in the ocean.

  10. Luminescence investigation of R{sup 3+}-doped alkaline earth tungstates prepared by a soft chemistry method

    Energy Technology Data Exchange (ETDEWEB)

    Barbosa, Helliomar P. [Instituto de Química, Universidade de São Paulo, São Paulo, SP (Brazil); Kai, Jiang [Pontifícia Universidade Católica do Rio de Janeiro, Departamento de Química, Rio de Janeiro, RJ, Brazil (Brazil); Silva, Ivan G.N.; Rodrigues, Lucas C.V. [Instituto de Química, Universidade de São Paulo, São Paulo, SP (Brazil); Felinto, Maria C.F.C. [Centro de Química e Meio Ambiente, Instituto de Pesquisas Energéticas e Nucleares, São Paulo, SP (Brazil); Hölsä, Jorma [Instituto de Química, Universidade de São Paulo, São Paulo, SP (Brazil); Department of Chemistry, University of Turku,FI-20014 Turku (Finland); Turku University Centre for Materials and Surfaces (MatSurf), Turku (Finland); Malta, Oscar L. [Departamento de Química Fundamental, Universidade Federal de Pernambuco, Recife, PE (Brazil); Brito, Hermi F., E-mail: hefbrito@iq.usp.br [Instituto de Química, Universidade de São Paulo, São Paulo, SP (Brazil)

    2016-02-15

    Highly luminescent rare earth (R{sup 3+}) doped alkaline-earth tungstates MWO{sub 4}:R{sup 3+} (M{sup 2+}: Ca, Sr and Ba, R{sup 3+}: Eu, Tb, Gd) were prepared with a room temperature coprecipitation method. The phosphors were characterized by X-ray powder diffraction (XPD), thermal analysis (TG), infrared absorption spectroscopy (FTIR) and UV excited photoluminescence. The as-prepared MWO{sub 4}:R{sup 3+} particles belong to the tetragonal scheelite phase, and are well crystallized and are of the average size of 16–48 nm. The excitation and emission spectra of the materials were recorded at 300 and 77 K temperatures. The luminescent materials exhibit intense red (Eu{sup 3+}) and green (Tb{sup 3+}) colors under UV excitation. The excitation spectra of the Eu{sup 3+} doped materials show broad bands arising from the ligand-to-metal charge transfer transitions (O{sup 2−}→W{sup VI} and O{sup 2−}→Eu{sup 3+}) as well as narrow bands from 4f–4f intraconfigurational transitions of Eu{sup 3+}. 4f–4f emission data of the Eu{sup 3+} and Tb{sup 3+} in the MWO{sub 4} host matrices as well as the values of emission quantum efficiencies of the {sup 5}D{sub 0} level and the 4f–4f experimental intensity parameters of Eu{sup 3+} ion are presented and discussed. - Highlights: • Highly red Europium and green Terbium doped tungstate under UV excitation. • Efficient energy transfer process from tungstate to R{sup 3+} ion. • Promising candidates for a red (Eu{sup 3+}) and green (Tb{sup 3+}) emitting phosphors. • Ligand Metal charge transfer to R{sup 3+} ion. • Charge compensation with Na{sup +}.

  11. Methanol synthesis using a catalyst combination of alkali or alkaline earth salts and reduced copper chromite

    Science.gov (United States)

    Tierney, John W.; Wender, Irving; Palekar, Vishwesh M.

    1995-01-01

    The present invention relates to a novel route for the synthesis of methanol, and more specifically to the production of methanol by contacting synthesis gas under relatively mild conditions in a slurry phase with a catalyst combination comprising reduced copper chromite and basic alkali salts or alkaline earth salts. The present invention allows the synthesis of methanol to occur in the temperature range of approximately 100.degree.-160.degree. C. and the pressure range of 40-65 atm. The process produces methanol with up to 90% syngas conversion per pass and up to 95% methanol selectivity. The only major by-product is a small amount of easily separated methyl formate. Very small amounts of water, carbon dioxide and dimethyl ether are also produced. The present catalyst combination also is capable of tolerating fluctuations in the H.sub.2 /CO ratio without major deleterious effect on the reaction rate. Furthermore, carbon dioxide and water are also tolerated without substantial catalyst deactivation.

  12. Crystal and defect chemistry influences on band gap trends in alkaline earth perovskites

    International Nuclear Information System (INIS)

    Lee, Soonil; Woodford, William H.; Randall, Clive A.

    2008-01-01

    A number of perovskites with A-site alkaline earth chemistries being Ca, Sr, and Ba, and tetravalent cations including Ce, Zr, and Ti are measured for optical band gap and found to vary systematically with tolerance factor and lattice volume within limits defined by the chemistry of the octahedral site. This paper also focuses on the BaTiO 3 system, considering equilibrated nonstoichiometries, and determines the changes in band gap with respect to Ba/Ti ratios. It was found that the optical band gap changes in the solid solution regime and is invariant in the second phase regions, as would be expected. In the cases of Ba/Ti 1.0 stoichiometries, there is a distinct Urbach tail and the trend with lattice volume no longer holds. It is inferred that the V Ti q prime-2V O partial Schottky complex controls the band gap trend with Ba-rich nonstoichiometries

  13. Role of elastic deformation in determining the mixed alkaline earth effect of hardness in silicate glasses

    DEFF Research Database (Denmark)

    Kjeldsen, Jonas; Smedskjær, Morten Mattrup; Potuzak, M.

    2015-01-01

    show that the mixed alkaline earth effect manifests itself as deviations from linearity in shear modulus, Poisson’s ratio, glass transition temperature, liquid fragility index, hardness, volume of densification, and volume of plastic flow. We find no correlation between the elastic part......Glasses deform permanently as a result of indentation and the total resistance to deformation consists of three individual resistances, i.e., those to elastic deformation, densification, and plastic flow. The link between Vickers hardness and the resistances to densification and plastic flow has...... been investigated previously, but the link between the resistance to elastic deformation and hardness has not yet been studied. In this work, we investigate the link between elastic deformation during indentation and Vickers hardness in a series of mixed magnesium-barium boroaluminosilicate glasses. We...

  14. High-Tc superconducting materials in Y-Ba-Cu-O system with the dopants of alkaline metals

    International Nuclear Information System (INIS)

    Kuznetsov, M.V.

    1996-01-01

    The dopants of alkaline metals being introduced into the system Y-Ba-Cu-O do not greatly effect the value of T c . The dopants of alkaline metals lead to the formation of new super-conducting structures o the solid solutions types incorporating an alkaline metal; however, the region of homogeneity of these solutions are different due to the variety of conditions and methods of synthesis. Super-conducting structures, containing an alkaline metal, are characterized by the lowered content of oxygen in comparison with the system YBa 2 Cu 3 O 7-y . Probably, the presence of an alkaline metal in the structure of super-conducting system Y-Ba-Cu-O promotes the retaining of an orthorhombic nature of the crystalline lattice of the product at any dopant concentration. 49 refs

  15. Raman and Rietveld structural characterization of sintered alkaline earth doped ceria

    Energy Technology Data Exchange (ETDEWEB)

    Siqueira Junior, Jose Marcio; Brum Malta, Luiz Fernando; Garrido, Francisco M.S. [Departamento de Quimica Inorganica, Instituto de Quimica, Universidade Federal do Rio de Janeiro, Av. Athos da Silveira Ramos, 149, Centro de Tecnologia, Bloco A, room 632, CEP 68563, 21941-909 Rio de Janeiro, RJ (Brazil); Ogasawara, Tsuneharu [Programa de Engenharia Metalurgica e de Materiais, Coordenacao dos Programas de Pos - Graduacao de Engenharia, Centro de Tecnologia, Universidade Federal do Rio de Janeiro, Ilha do Fundao, CEP 68505, 21941-972 Rio de Janeiro, RJ (Brazil); Medeiros, Marta Eloisa, E-mail: chico@iq.ufrj.br [Departamento de Quimica Inorganica, Instituto de Quimica, Universidade Federal do Rio de Janeiro, Av. Athos da Silveira Ramos, 149, Centro de Tecnologia, Bloco A, room 632, CEP 68563, 21941-909 Rio de Janeiro, RJ (Brazil)

    2012-08-15

    Nanocrystalline calcium and strontium singly doped ceria and co-doped ceria materials for solid electrolytes were prepared via a hydrothermal route. The effect of the hydrothermal treatment time on the solid solution composition was evaluated. Sr doped ceria was the most difficult to form, due to the Sr{sup 2+} large ionic radius. The small crystal size (12-16 nm) of powders allowed sintering into dense ceramic pellets at 1350 Degree-Sign C for 5 h. Raman spectroscopy evidenced a great lattice distortion for Sr doped and co-doped ceria materials, explaining the deterioration of the electrical properties for these ceramics. Besides that, a second phase was detected for Sr doped ceria pellet by using X-ray powder diffraction and Rietveld refinement of XRD data. Impedance measurements showed that Ca-doped ceria behaves as the best ionic conductor ({sigma}{sub g} 390 Degree-Sign C = 1.0 Multiplication-Sign 10{sup -3} S cm{sup -1}) since the nominal composition was achieved; on the other hand, Sr doped ceria performed as resistive materials since Sr incorporation into ceria lattice was critical. These results enhance the close interlace between electrical performance and chemical composition of alkaline earth doped ceria. -- Highlights: Black-Right-Pointing-Pointer Hydrothermally synthesized calcium doped ceria nanoparticles. Black-Right-Pointing-Pointer Incorporation of alkaline earth dopant into ceria lattice. Black-Right-Pointing-Pointer Raman and Rietveld structural characterization. Black-Right-Pointing-Pointer Calcium doped ceria ceramic pellets with high ionic conductivity. Black-Right-Pointing-Pointer Problems associated with the Sr{sup 2+} incorporation into ceria lattice.

  16. Molten metal reactor and method of forming hydrogen, carbon monoxide and carbon dioxide using the molten alkaline metal reactor

    Science.gov (United States)

    Bingham, Dennis N.; Klingler, Kerry M.; Turner, Terry D.; Wilding, Bruce M.

    2012-11-13

    A molten metal reactor for converting a carbon material and steam into a gas comprising hydrogen, carbon monoxide, and carbon dioxide is disclosed. The reactor includes an interior crucible having a portion contained within an exterior crucible. The interior crucible includes an inlet and an outlet; the outlet leads to the exterior crucible and may comprise a diffuser. The exterior crucible may contain a molten alkaline metal compound. Contained between the exterior crucible and the interior crucible is at least one baffle.

  17. Rare earth base superconducting composition

    International Nuclear Information System (INIS)

    Raveau, B.J.; Bourgault, D.M.; Hervieu, M.; Martin, C.Y.; Michel, C.M.A.E.; Provost, J.R.J.

    1991-01-01

    A superconductin mixed valence copper oxide with a perowskite structure is claimed. It comprises a valence 4 rare earth (Ce or Pr), an alkaline earth metal (Sr or Ba) and thallium. Chemical composition is given and synthesis is described [fr

  18. Study of the effect hydrogen binding in the solvation of alkaline earth cations with MeOH in nitromethane using 1 H NMR technique and determination of ionic solvation number

    CERN Document Server

    Alizadeh, N

    2001-01-01

    A proton NMR method for the study of the effect hydrogen binding and determination of solvation numbers of alkaline earth cations with methanol (MeOH) in in tromethane (NM) as diluent is described. The method is based on monitoring the resonance frequency of MeOH protons as a function of MeOH to metal ion mole ratio at constant metal ion concentration. the average solvation number of cation, n, at any MeOH/ metal ion mole ration was calculated from the NMR chemical shift-mole ration data and was plotted against the mole ration values. The solvation numbers of alkaline earth cations were obtained from the limiting values of the corresponding n, vs. mole ratio plots.

  19. Study of the effect hydrogen binding in the solvation of alkaline earth cations with MeOH in nitromethane using 1 H NMR technique and determination of ionic solvation number

    International Nuclear Information System (INIS)

    Alizadeh, N.

    2001-01-01

    A proton NMR method for the study of the effect hydrogen binding and determination of solvation numbers of alkaline earth cations with methanol (MeOH) in in tromethane (NM) as diluent is described. The method is based on monitoring the resonance frequency of MeOH protons as a function of MeOH to metal ion mole ratio at constant metal ion concentration. the average solvation number of cation, n, at any MeOH/ metal ion mole ration was calculated from the NMR chemical shift-mole ration data and was plotted against the mole ration values. The solvation numbers of alkaline earth cations were obtained from the limiting values of the corresponding n, vs. mole ratio plots

  20. Long-range interactions of excited He atoms with the alkaline earth atoms Mg, Ca, and Sr

    KAUST Repository

    Zhang, J.-Y.

    2013-04-05

    Dispersion coefficients for the long-range interactions of the first four excited states of He, i.e., He(2 1, 3 S) and He(2 1, 3 P), with the low-lying states of the alkaline earth atoms Mg, Ca, and Sr are calculated by summing over the reduced matrix elements of multipole transition operators.

  1. Studies on the determination of trace amounts of nitrogen along with alkali and alkaline earth elements in uranium based samples by ion-chromatography (IC)

    International Nuclear Information System (INIS)

    Verma, Poonam; Rastogi, R.K.; Ramakumar, K.L.

    2006-12-01

    Present report describes an ion chromatography (IC) method with suppressed conductivity detection for the determination of traces of nitrogen along with alkali and alkaline earth elements in uranium based nuclear fuels. Method was developed to determine nitrogen as NH 4 + along with alkali and alkaline earth cations by IC using a cation exchange column. (author)

  2. Effects of biochars on the availability of heavy metals to ryegrass in an alkaline contaminated soil.

    Science.gov (United States)

    Zhang, Guixiang; Guo, Xiaofang; Zhao, Zhihua; He, Qiusheng; Wang, Shuifeng; Zhu, Yuen; Yan, Yulong; Liu, Xitao; Sun, Ke; Zhao, Ye; Qian, Tianwei

    2016-11-01

    A pot experiment was conducted to investigate the effects of biochars on the availability of heavy metals (Cd, Cu, Mn, Ni, Pb, and Zn) to ryegrass in an alkaline contaminated soil. Biochars only slightly decreased or even increased the availability of heavy metals assesses by chemical extractant (a mixture of 0.05 mol L -1 ethylenediaminetetraacetic acid disodium, 0.01 mol L -1 CaCl 2 , and 0.1 mol L -1 triethanolamine). The significantly positive correlation between most chemical-extractable heavy metals and the ash content in biochars indicated the positive role of ash in this extraction. Biochars significantly reduced the plant uptake of heavy metals, excluding Mn. The absence of a positive correlation between the chemical-extractable heavy metals and the plant uptake counterparts (except for Mn) indicates that chemical extractability is probably not a reliable indicator to predict the phytoavailability of most heavy metals in alkaline soils treated with biochars. The obviously negative correlation between the plant uptake of heavy metals (except for Mn) and the (O + N)/C and H/C indicates that biochars with more polar groups, which were produced at lower temperatures, had higher efficiency for reducing the phytoavailability of heavy metals. The significantly negative correlations between the plant uptake of Mn and ryegrass biomass indicated the "dilution effect" caused by the improvement of biomass. These observations will be helpful for designing biochars as soil amendments to reduce the availability of heavy metals to plants in soils, especially in alkaline soils. Copyright © 2016. Published by Elsevier Ltd.

  3. Maternal exposure to alkali, alkali earth, transition and other metals: Concentrations and predictors of exposure

    International Nuclear Information System (INIS)

    Hinwood, A.L.; Stasinska, A.; Callan, A.C.; Heyworth, J.; Ramalingam, M.; Boyce, M.; McCafferty, P.; Odland, J.Ø.

    2015-01-01

    Most studies of metals exposure focus on the heavy metals. There are many other metals (the transition, alkali and alkaline earth metals in particular) in common use in electronics, defense industries, emitted via combustion and which are naturally present in the environment, that have received limited attention in terms of human exposure. We analysed samples of whole blood (172), urine (173) and drinking water (172) for antimony, beryllium, bismuth, cesium, gallium, rubidium, silver, strontium, thallium, thorium and vanadium using ICPMS. In general most metals concentrations were low and below the analytical limit of detection with some high concentrations observed. Few factors examined in regression models were shown to influence biological metals concentrations and explained little of the variation. Further study is required to establish the source of metals exposures at the high end of the ranges of concentrations measured and the potential for any adverse health impacts in children. - This study has demonstrated exposure to alkali, alkali earth and transition metals in pregnant women with factors such as breastfeeding, fish oil use and diet affecting exposures

  4. Moessbauer effect of the alkaline and alkaline earth metal nitroprusside powders

    CERN Document Server

    Yang, T H; Kim, H S; Hong, C Y; Kim, H B; Cho, H Y; Kim, D Y; Moon, Y S

    2000-01-01

    We observe Moessbauer spectra of Fe atoms centered in nitroprusside anions of sodium nitroprusside (Na sub 2 [Fe(CN) sub 5 NO] 2H sub 2 O). potassium-nitroprusside (K sub 2 [Fe(CN)] sub 5 NO centre dot 2.5H sub 2 O), rubidium nitroprusside (Rb sub 2 [Fe(CN) sub 5 NO centre dot H sub 2 O), magnesium nitroprusside (Mg[Fe(CN) sub 5 NO], calcium nitroprusside (Ca[Fe(CN) sub 5 NO]centre dot 4H sub 2 O), and barium nitroprusside (Ba[Fe(CN) sub 5 NO]centre dot 3H sub 2 O) samples which have photochromic properties. We compare the Moessbauer parameters, the values of the isomer shifts and the quadrupole splittings of the samples with those of a sodium nitroprusside single crystal which is a standard material. The values of the isomer shifts and the quadrupole splittings of the various compounds are close to each other. The values of the line broadening of all samples are between 2.1 GAMMA sub N and 2.5 GAMMA sub N. The Moessbauer Lamb factors (f) are between 0.252(1) and 0.340(2). These values are obtained from the s...

  5. Variable dimensionality and new uranium oxide topologies in the alkaline-earth metal uranyl selenites AE[UO2)(SeO3)2] (AE=Ca, Ba) and Sr[UO2)(SeO3)2] · 2H2O

    International Nuclear Information System (INIS)

    Almond, Philip M.; Peper, Shane M.; Bakker, Eric; Albrecht-Schmitt, Thomas E.

    2002-01-01

    Three new alkaline-earth metal uranyl selenites, Ca[UO 2 )(SeO 3 ) 2 ] (1), Sr[UO 2 )(SeO 3 ) 2 ] · 2H 2 O (2), and Ba[UO 2 )(SeO 3 ) 2 ] (3), have been prepared from the reactions of CaCO 3 and Ca(OH) 2 , SrCl 2 and Sr(OH) 2 , or BaCl 2 and Ba(OH) 2 with UO 3 and SeO 2 under mild hydrothermal conditions. Single-crystal X-ray diffraction experiments reveal that the structures of 1-3 differ in both connectivity and dimensionality even though all contain the same fundamental building unit, namely [UO 2 (SeO 3 ) 4 ]. This polyhedron consists of a linear uranyl unit that is bound by one chelating and three bridging selenite anions creating a pentagonal bipyramidal environment around the U(VI) center. The crystal structure of 1 contains one-dimensional ribbons where the edges are terminated by monodentate selenite anions. The interior of the ribbons are constructed from edge-sharing pentagonal bipyramidal UO 7 units. The structure of 2 is also one-dimensional; however, here there are chains of edge-sharing pentagonal bipyramidal UO 7 dimers that are connected by bridging selenite anions. Ba[(UO 2 )(SeO 3 ) 2 ] (3) is two-dimensional, and the highly ruffled anionic sheets present in this structure are formed from both bridging and chelating/bridging selenite anions bound to uranyl moieties. The anionic substructures in 1-3 are separated by Ca 2+ , Sr 2+ , or Ba 2+ cations. Crystallographic data (193 K, MoKα, λ=0.71073): 1, triclinic, space group P1-bar, a=5.5502(6) A, b=6.6415(7) A, c=11.013(1) A, α=104.055(2) deg., β=93.342(2) deg., γ=110.589(2) deg. , Z=2, R(F)=4.56% for 100 parameters with 1530 reflections with I>2σ(I); 2, triclinic, space group P1-bar, a=7.0545(5) A, b=7.4656(5) A, c=10.0484(6) A, α=106.995(1) deg., β=108.028(1) deg., γ=98.875(1) deg., Z=2, R(F)= 2.43% for 128 parameters with 2187 reflections with I>2σ(I); 3, monoclinic, space group P2 1 /c, a=7.3067(6) A, b=8.1239(7) A, c=13.651(1) A, β=100.375(2) deg., Z=4, R(F)=4.31% for 105 parameters

  6. Physical and spectroscopic studies of Cr{sup 3+} doped mixed alkaline earth oxide borate glasses

    Energy Technology Data Exchange (ETDEWEB)

    Samdani, E-mail: samdanimohd82@gmail.com [Department of Engineering, Salalah College of Technology, Salalah (Oman); Ramadevudu, G. [Department of Physics, Vasavi College of Engineering, Ibrahimbagh, Hyderabad 500031, Telangana (India); Chary, M. Narasimha; Shareefuddin, Md. [Department of Physics, Osmania University, Hyderabad 500007, Telangana (India)

    2017-01-15

    A series of mixed alkaline earth oxide glasses xMgO-(30-x)BaO-69.8B{sub 2}O{sub 3}-0.2Cr{sub 2}O{sub 3} were prepared and studied using electron paramagnetic resonance (EPR), optical absorption, Raman spectroscopy and photoluminescence experimental techniques. The optical absorption spectra revealed the characteristic octahedral symmetry of Cr{sup 3+}ions through three broad band transitions {sup 4}A{sub 2g}(F)→ {sup 4}T{sub 2g}(F), {sup 4}A{sub 2g}(F)→ {sup 4}T{sub 1g}(F), and {sup 4}A{sub 2g}(F)→ {sup 2}T{sub 1g}(P). The crystal field (Dq) and Racah parameters (B and C), the optical band gap and Urbach energies of the glass samples were also reported along with the physical properties like density and molar volume. In the EPR spectra three resonance signals corresponding to Cr3+ ions were observed. A broad signal with g = 5.110 was observed which belongs to the isolated Cr3+ centers localized in the strongly distorted octahedral (rhombic) sites of the glass network, a narrow signal (g = 1.960) corresponding to the Cr{sup 3+} centers in the weekly distorted (cubic) sites of the glass network, and a third very broad signal (g = 2.210) was also observed corresponding to Cr{sup 3+}- Cr{sup 3+} paired centers coupled by magnetic dipolar interaction. Another resonance signal with effective value g ≈ 4.220 was attributed to Fe{sup 3+} ions impurity. The number of spins (N) participating in the resonance and susceptibility (χ) values at room temperature were reported and their values varied in a non-linear manner with the composition exhibiting mixed oxide effect. The estimated molecular bonding coefficients (α) values indicated stronger ionic contribution. The Raman spectral investigations were carried out. The Photoluminescence spectra bands near 690 and 750 nm correspond to the Cr{sup 3+} centers in high and low field sites respectively. - Highlights: • Spectroscopic studies were made on alkaline earth borate glasses. • Three resonance signals

  7. Near-Earth asteroids: Metals occurrence, extraction, and fabrication

    Science.gov (United States)

    Westfall, Richard

    Near-earth asteroids occur in three principle types of orbits: Amor, Apollo, and Aten. Amor asteroids make relatively close (within 0.3 AU) approaches to the earth's orbit, but do not actually overlap it. Apollo asteroids spend most of their time outside the earth's orbital path, but at some point of close approach to the sun, they cross the orbit of the earth. Aten asteroids are those whose orbits remain inside the earth's path for the majority of their time, with semi-major axes less than 0.1 AU. Near-earth orbit asteroids include: stones, stony-irons, irons, carbonaceous, and super-carbonaceous. Metals within these asteroids include: iron, nickel, cobalt, the platinum group, aluminum, titanium, and others. Focus is on the extraction of ferrous and platinum group metals from the stony-iron asteroids, and the iron asteroids. Extraction of the metal fraction can be accomplished through the use of tunnel-boring-machines (TBM) in the case of the stony-irons. The metals within the story-iron asteroids occur as dispersed granules, which can be separated from the stony fraction through magnetic and gaseous digestion separation techniques. The metal asteroids are processes by drilling and gaseous digestion or by gaseous digestion alone. Manufacturing of structures, housings, framing networks, pressure vessels, mirrors, and other products is accomplished through the chemical vapor deposition (CVD) of metal coating on advanced composites and on the inside of contour-defining inflatables (CDI). Metal coatings on advanced composites provide: resistance to degradation in the hostile environments of space; superior optical properties; superior heat dissipation; service as wear coatings; and service as evidential coatings. Metal coatings on the inside of CDI produce metal load-bearing products. Fibers such as graphite, kevlar, glass, ceramic, metal, etc., can be incorporated in the metal coatings on the inside of CDI producing metal matrix products which exhibit high strength

  8. Surface fractal dimensions and textural properties of mesoporous alkaline-earth hydroxyapatites

    Energy Technology Data Exchange (ETDEWEB)

    Vilchis-Granados, J. [Instituto Nacional de Investigaciones Nucleares, Departamento de Química, A.P. 18-1027, Col. Escandón, Delegación Miguel Hidalgo, C.P. 11801, México, DF (Mexico); Universidad Autónoma del Estado de México, Facultad de Química, Av. Paseo Colón esquina con Paseo Tollocan s/n Toluca, México (Mexico); Granados-Correa, F., E-mail: francisco.granados@inin.gob.mx [Instituto Nacional de Investigaciones Nucleares, Departamento de Química, A.P. 18-1027, Col. Escandón, Delegación Miguel Hidalgo, C.P. 11801, México, DF (Mexico); Barrera-Díaz, C.E. [Universidad Autónoma del Estado de México, Facultad de Química, Av. Paseo Colón esquina con Paseo Tollocan s/n Toluca, México (Mexico)

    2013-08-15

    This work examines the surface fractal dimensions (D{sub f}) and textural properties of three different alkaline-earth hydroxyapatites. Calcium, strontium and barium hydroxyapatite compounds were successfully synthesized via chemical precipitation method and characterized using X-ray diffraction, scanning electron microscopy, energy dispersive X-ray spectrometry, Fourier transform infrared spectroscopy, and N{sub 2}-physisorption measurements. Surface fractal dimensions were determined using single N{sub 2}-adsorption/desorption isotherms method to quantify the irregular surface of as-prepared compounds. The obtained materials were also characterized through their surface hydroxyl group content, determined by the mass titration method. It was found that the D{sub f} values for the three materials covered the range of 0.77 ± 0.04–2.33 ± 0.11; these results indicated that the materials tend to have smooth surfaces, except the irregular surface of barium hydroxyapatite. Moreover, regarding the synthesized calcium hydroxyapatite exhibited better textural properties compared with the synthesized strontium and barium hydroxyapatites for adsorbent purposes. However, barium hydroxyapatite shows irregular surface, indicating a high population of active sites across the surface, in comparison with the others studied hydroxyapatites. Finally, the results showed a linear correlation between the surface hydroxyl group content at the external surface of materials and their surface fractal dimensions.

  9. Emission properties of Ce-doped alkaline earth borate glasses for scintillator applications

    Science.gov (United States)

    Torimoto, Aya; Masai, Hirokazu; Okada, Go; Kawaguchi, Noriaki; Yanagida, Takayuki

    2017-11-01

    We investigate the photoluminescence (PL) and X-ray-induced luminescence properties of 0.1 mol% Ce-doped MO-B2O3 (M = Ca, Sr, and Ba) glasses. We also determine the Ce3+/(Ce3++Ce4+) ratio by X-ray absorption near-edge structure analyses. The emission intensities of PL, X-ray scintillation, and thermally stimulated luminescence (TSL) depend on the host glass composition. The order of the PL intensity from highest to lowest is as follows: Ca-substituted glass, Ba-substituted glass, and Sr-substituted glass. Our results suggest that the optical absorption edge and quantum yield (QY) are influenced by the local coordination state of Ce3+, which, in turn, is likely to be affected by the optical basicity. The order of the X-ray scintillation intensity from highest to lowest is reverse of that of the PL intensity. This is probably because the interaction probability of X-rays with matter depends on the effective atomic number of the material and the effective atomic number has a stronger influence on the scintillation intensity than does the QY. Though the TSL glow curves reveal that the density and energy depth of the trap sites depend on the substituted alkaline earth oxides, we are unable to correlate the electron spin resonance (ESR) spectra with the TSL results. Therefore, it is considered that the ESR active sites are not responsible for the TSL in these systems.

  10. Mixed alkali effect on the spectroscopic properties of alkali-alkaline earth oxide borate glasses

    Energy Technology Data Exchange (ETDEWEB)

    Srinivas, G., E-mail: srinu123g@gmail.com; Ramesh, B.; Shareefuddin, Md.; Chary, M. N.; Sayanna, R. [Department of Physics, Osmania University, Hyderabad, Telangana, India. (India)

    2016-05-06

    The mixed alkali and alkaline earth oxide borate glass with the composition xK{sub 2}O - (25-x) Li{sub 2}O-12.5BaO-12.5MgO-50B{sub 2}O{sub 3} (x = 0, 5, 10, 15, 20 and 25mol %) and doped with 1mol% CuO were prepared by the melt quenching technique. From the optical absorption spectra the optical band gap, electronic polarizability(α{sub 0}2-), interaction parameter (A), theoretical and experimental optical basicity (Λ) values were evaluated. From the Electron Paramagnetic Resonance (EPR) spectral data the number of spins (N) and susceptibility (χ) were evaluated. The values of (α{sub 0}2-), and (Λ) increases with increasing of K{sub 2}O content and electronic polarizability and interaction parameter show opposite behaviuor which may be due to the creation of non-bridging oxygens and expansion of borate network. The reciprocal of susceptibility (1/χ) and spin concentration (N) as a function of K{sub 2}O content, varied nonlinearly which may be due to creation of non-bridging oxygens in the present glass system. This may be attributed to mixed alkali effect (MAE).

  11. Rare Earth Elements (REE Deposits Associated with Great Plain Margin Deposits (Alkaline-Related, Southwestern United States and Eastern Mexico

    Directory of Open Access Journals (Sweden)

    Virginia T. McLemore

    2018-01-01

    Full Text Available W.G. Lindgren in 1933 first noted that a belt of alkaline-igneous rocks extends along the eastern edge of the Rocky Mountains and Basin and Range provinces from Alaska and British Columbia southward into New Mexico, Trans-Pecos Texas, and eastern Mexico and that these rocks contain relatively large quantities of important commodities such as, gold, fluorine, zirconium, rare earth elements (REE, tellurium, gallium, and other critical elements. In New Mexico, these deposits were called Great Plain Margin (GPM deposits, because this north-south belt of alkaline-igneous rocks roughly coincides with crustal thickening along the margin between the Great Plains physiographic province with the Basin and Range (including the Rio Grande rift and Rocky Mountains physiographic provinces, which extends into Trans-Pecos Texas and eastern Mexico. Since 1996, only minor exploration and development of these deposits in New Mexico, Texas, and eastern Mexico has occurred because of low commodity prices, permitting issues, and environmental concerns. However, as the current demand for gold and critical elements, such as REE and tellurium has increased, new exploration programs have encouraged additional research on the geology of these deposits. The lack of abundant quartz in these systems results in these deposits being less resistant to erosion, being covered, and not as well exposed as other types of quartz-rich deposits, therefore additional undiscovered alkaline-related gold and REE deposits are likely in these areas. Deposits of Th-REE-fluorite (±U, Nb epithermal veins and breccias are found in the several GPM districts, but typically do not contain significant gold, although trace amounts of gold are found in most GPM districts. Gold-rich deposits in these districts tend to have moderate to low REE and anomalously high tungsten and sporadic amounts of tellurium. Carbonatites are only found in New Mexico and Mexico. The diversity of igneous rocks, including

  12. Treatment of Alkaline Cr(VI)-Contaminated Leachate with an Alkaliphilic Metal-Reducing Bacterium.

    Science.gov (United States)

    Watts, Mathew P; Khijniak, Tatiana V; Boothman, Christopher; Lloyd, Jonathan R

    2015-08-15

    Chromium in its toxic Cr(VI) valence state is a common contaminant particularly associated with alkaline environments. A well-publicized case of this occurred in Glasgow, United Kingdom, where poorly controlled disposal of a cementitious industrial by-product, chromite ore processing residue (COPR), has resulted in extensive contamination by Cr(VI)-contaminated alkaline leachates. In the search for viable bioremediation treatments for Cr(VI), a variety of bacteria that are capable of reduction of the toxic and highly soluble Cr(VI) to the relatively nontoxic and less mobile Cr(III) oxidation state, predominantly under circumneutral pH conditions, have been isolated. Recently, however, alkaliphilic bacteria that have the potential to reduce Cr(VI) under alkaline conditions have been identified. This study focuses on the application of a metal-reducing bacterium to the remediation of alkaline Cr(VI)-contaminated leachates from COPR. This bacterium, belonging to the Halomonas genus, was found to exhibit growth concomitant to Cr(VI) reduction under alkaline conditions (pH 10). Bacterial cells were able to rapidly remove high concentrations of aqueous Cr(VI) (2.5 mM) under anaerobic conditions, up to a starting pH of 11. Cr(VI) reduction rates were controlled by pH, with slower removal observed at pH 11, compared to pH 10, while no removal was observed at pH 12. The reduction of aqueous Cr(VI) resulted in the precipitation of Cr(III) biominerals, which were characterized using transmission electron microscopy and energy-dispersive X-ray analysis (TEM-EDX) and X-ray photoelectron spectroscopy (XPS). The effectiveness of this haloalkaliphilic bacterium for Cr(VI) reduction at high pH suggests potential for its use as an in situ treatment of COPR and other alkaline Cr(VI)-contaminated environments. Copyright © 2015, Watts et al.

  13. Driving force for the hydration of the swelling clays: Case of montmorillonites saturated with alkaline-earth cations

    International Nuclear Information System (INIS)

    Salles, Fabrice; Douillard, Jean-Marc; Gaudin, Cedric; Prelot, Benedicte; Zajac, Jerzy; Bildstein, Olivier; Van Damme, Henri

    2013-01-01

    Important structural modifications occur in swelling clays upon water adsorption. The multi-scale evolution of the swelling clay structure is usually evidenced by various experimental techniques. However, the driving force behind such phenomena is still not thoroughly understood. It appears strongly dependent on the nature of the interlayer cation. In the case of montmorillonites saturated with alkaline cations, it was inferred that the compensating cation or the layer surface could control the hydration process and thus the opening of the interlayer space, depending on the nature of the interlayer cation. In the present study, emphasis is put on the impact of divalent alkaline-earth cations compensating the layer charge in montmorillonites. Since no experimental technique offers the possibility of directly determining the hydration contributions related to interlayer cations and layer surfaces, an approach based on the combination of electrostatic calculations and immersion data is developed here, as already validated in the case of montmorillonites saturated by alkaline cations. This methodology allows to estimate the hydration energy for divalent interlayer cations and therefore to shed a new light on the driving force for hydration process occurring in montmorillonites saturated with alkaline-earth cations. Firstly, the surface energy values obtained from the electrostatic calculations based on the Electronegativity Equalization Method vary from 450 mJ m -2 for Mg-montmorillonite to 1100 mJ m -2 for Ba-montmorillonite. Secondly, considering both the hydration energy for cations and layer surfaces, the driving force for the hydration of alkaline-earth saturated montmorillonites can be attributed to the interlayer cation in the case of Mg-, Ca-, Sr-montmorillonites and to the interlayer surface in the case of Ba-montmorillonites. These results explain the differences in behaviour upon water adsorption as a function of the nature of the interlayer cation, thereby

  14. Optimizing the performance of bandpass photon detectors for inverse photoemission: Transmission of alkaline earth fluoride window crystals

    International Nuclear Information System (INIS)

    Thiede, Christian; Schmidt, Anke B.; Donath, Markus

    2015-01-01

    Bandpass photon detectors are widely used in inverse photoemission in the isochromat mode at energies in the vacuum-ultraviolet spectral range. The energy bandpass of gas-filled counters is usually formed by the ionization threshold of the counting gas as high-pass filter and the transmission cutoff of an alkaline earth fluoride window as low-pass filter. The transmission characteristics of the window have, therefore, a crucial impact on the detector performance. We present transmission measurements in the vacuum-ultraviolet spectral range for alkaline earth fluoride window crystals in the vicinity of the transmission cutoff as a function of crystal purity, surface finish, surface contamination, temperature, and thickness. Our findings reveal that the transmission characteristics of the window crystal and, thus, the detector performance depend critically on these window parameters

  15. Separation of alkali, alkaline earth and rare earth cations by liquid membranes containing macrocyclic carriers. Third progress report, September 1, 1980-April 1, 1981

    International Nuclear Information System (INIS)

    Christensen, J.J.

    1981-01-01

    The overall objective of this project is to study the use of liquid membrane systems employing macrocyclic ligand carriers in making separations among metal cations. During the third year of the project, work continued in the development of a mathematical model to describe cation transport. The model was originally developed to describe the relationship between cation transport rate (J/sub M/) and the cation-macrocycle stability constant (K). The model was tested by determining the rates of transport of alkali and alkaline earth cations through chloroform membranes containing carrier ligands where the stability constants for their reaction with cations in methanol were known. From the results, it is clear that the model correctly describes the dependence of J/sub M/ on log K. The model also correctly describes the effect of cation concentration and carrier concentration on cation transport rates, as detailed in the previous progress report. During the third year of the project, the transport model was expanded so as to apply to competitive transport of cations from mixtures of two cations in the source aqueous phase. Data were collected under these conditions and the ability of the model to predict the flux of each cation was tested. Representative data of this type are presented along with corresponding data which were obtained when each cation was transported by the same carrier from a source phase containing only that cation. Comparison of transport rates determined under the two experimental conditions indicates that the relationship between the two sets of data is complex. To date, a few of these data involving transport from binary cation mixtures have been tested against the transport model. It was found that the model correctly predicts the cation fluxes from cation mixtures. These preliminary results indicate that the transport model can successfully predict separation factors when cation mixtures are used

  16. Are concentrations of alkaline earth elements in maternal hair associated with risk of neural tube defects?

    Science.gov (United States)

    Li, Zhenjiang; Wang, Bin; Huo, Wenhua; Liu, Yingying; Zhu, Yibing; Xie, Jing; Li, Zhiwen; Ren, Aiguo

    2017-12-31

    The relationship between maternal intake of alkaline earth elements (AEEs) during the period of neural tube closure and the risk of neural tube defects (NTDs) is still unclear. We propose that AEE deficiency during the early period of pregnancy is associated with an elevated risk of NTDs in the offspring. In this study, we recruited 191 women with NTD-affected pregnancies (cases) and 261 women who delivered healthy infants (controls). The concentrations of four AEEs (Ca, Mg, Sr, Ba) in maternal hair sections that grew during early pregnancy were analyzed. Information on the dietary habits of the mothers was also collected by questionnaire. Higher concentrations of the four AEEs in hair had protective effects against the risk of total NTDs, with odds ratios with 95% confidence interval (comparing groups separated by each median level) of 0.44 (0.28-0.68) for Mg, 0.56 (0.36-0.87) for Ca, 0.45 (0.28-0.70) for Sr, and 0.41 (0.26-0.65) for Ba. Significant negative dose-response trends were identified for the relationships between the four AEE concentrations in maternal hair and the risks of anencephaly and spina bifida, but not for encephalocele. The frequencies of maternal consumption of fresh green vegetables, fresh fruit, and meat or fish were positively correlated with the concentrations of AEEs in hair. We concluded that the maternal intake of AEEs may play an important role in preventing NTD formation in offspring, and that this intake is related to maternal dietary habits of consuming fresh green vegetables, fresh fruit, and fish or meat. Copyright © 2017 Elsevier B.V. All rights reserved.

  17. Survey of the class of isovalent antiperovskite alkaline-earth pnictide compounds

    Science.gov (United States)

    Goh, Wen Fong; Pickett, Warren E.

    2018-01-01

    The few reported members of the antiperovskite structure class A e3P nAP nB of alkaline-earth (A e =Ca , Sr, Ba) pnictide (P n =N , P, As, Sb, Bi) compounds are all based on the B -site anion P nB=N . All can be categorized as narrow-gap semiconductors, making them of interest for several reasons. Because chemical reasoning suggests that more members of this class may be stable, we provide here a density functional theory (DFT)-based survey of this entire class of 3 ×5 ×5 compounds. We determine first the relative energetic stability of the distribution of pairs of P n ions in the A and B sites of the structure, finding that the B site always favors the small pnictogen anion. The trends of the calculated energy gaps versus the A e cation and P n anions are determined, and we study effects of spin-orbit coupling as well as two types of gap corrections to the conventional DFT electronic spectrum. Because there have been suggestions that this class harbors topological insulating phases, we have given this possibility attention and found that energy gap corrections indicate the cubic structures will provide at most a few topological insulators. Structural instability is addressed by calculating phonon dispersion curves for a few compounds, with one outcome being that distorted structures should be investigated further for thermoelectric and topological character. Examples of the interplay between spin-orbit coupling and strain on the topological nature are provided. A case study of Ca3BiP including the effect of strain illustrates how a topological semimetal can be transformed into a topological insulator and Dirac semimetal.

  18. Microstructure and creep behavior of magnesium-aluminum alloys containing alkaline and rare earth additions

    Science.gov (United States)

    Saddock, Nicholas David

    In the past few decades governmental regulation and consumer demands have lead the automotive companies towards vehicle lightweighting. Powertrain components offer significant potential for vehicle weight reductions. Recently, magnesium alloys have shown promise for use in powertrain applications where creep has been a limiting factor. These systems are Mg-Al based, with alkaline earth or rare earth additions. The solidification, microstructure, and creep behavior of a series of Mg-4 Al- 4 X:(Ca, Ce, La, and Sr) alloys and a commercially developed AXJ530 (Mg--5 Al--3 Ca--0.15 Sr) alloy (by wt%) have been investigated. The order of decreasing freezing range of the five alloys was: AX44, AXJ530, AJ44, ALa44 and ACe44. All alloys exhibited a solid solution primary alpha-Mg phase surrounded by an interdendritic region of Mg and intermetallic(s). The primary phase was composed of grains approximately an order of magnitude larger than the cellular structure. All alloys were permanent mold cast directly to creep specimens and AXJ530 specimens were provided in die-cast form. The tensile creep behavior was investigated at 175 °C for stresses ranging from 40 to 100 MPa. The order of decreasing creep resistance was: die-cast AXJ530 and permanent mold cast AXJ530, AX44, AJ44, ALa44 and ACe44. Grain size, solute concentration, and matrix precipitates were the most significant microstructural features that influenced the creep resistance. Decreases in grain size or increases in solute concentration, both Al and the ternary addition, lowered the minimum creep rate. In the Mg-Al-Ca alloys, finely distributed Al2Ca precipitates in the matrix also improved the creep resistance by a factor of ten over the same alloy with coarse precipitates. The morphology of the eutectic region was distinct between alloys but did not contribute to difference in creep behavior. Creep strain distribution for the Mg-Al-Ca alloys developed heterogeneously on the scale of the alpha-Mg grains. As

  19. A gravimetric method for the determination of oxygen in uranium oxides and ternary uranium oxides by addition of alkaline earth compounds

    International Nuclear Information System (INIS)

    Fujino, Takeo; Tagawa, Hiroaki; Adachi, Takeo; Hashitani, Hiroshi

    1978-01-01

    A simple gravimetric determination of oxygen in uranium oxides and ternary uranium oxides is described. In alkaline earth uranates which are formed by heating in air at 800-1100 0 C, uranium is in the hexavalent state over certain continuous ranges of alkaline earth-to-uranium ratios. Thus, if an alkaline earth uranate or a compound containing an alkaline earth element, e.g. MgO, is mixed with the oxide sample and heated in air under suitable conditions, oxygen can be determined from the weight change before and after the reaction. The standard deviation of the O:U ratio for a UOsub(2+x) test sample is +-0.0008-0.001, if a correction is applied for atmospheric moisture absorbed during mixing. (Auth.)

  20. Theoretical consideration of metabolic and histomorphometric data for alkaline earth and actinide distribution dynamics in the beagle skeleton

    International Nuclear Information System (INIS)

    Parks, N.J.

    1989-01-01

    The beagle has been used for thirty years as a putative model for human skeletal dynamics in terms of metabolic behaviour and response to in situ radiation insults. The partitioned clearance model (PCM) is a bone by bone description of radionuclide redistribution in the beagle skeleton after the end of exposure to 226 Ra by eight semi-monthly injections at 435-535 days or by continuous ingestion of 90 Sr from in utero to 540 days. The PCM describes both the clearance of radium after deposition on surfaces following injection and the clearance of 90 Sr after uniform deposition in the skeleton as a function of Ca mass. The PCM relates the metabolically determined time-zero deposition fraction (% A) per skeletal component to the calcium fraction (%Ca) per component. The ratio of these two fractions is defined as an estimator of relative 'surface',S, in PCM for the alkaline earths (ae). A comparison is made of 'surface' as defined, in PCM, by activity fraction per mass fraction in a given skeletal component for bone seeking alkaline earths (S ae ), to similarly defined 'surface' (S act ) for injected plutonium citrate. For inhaled soluble plutonium nitrate that translocates to bone, the S act values are very similar to the S ae values for injected radium. The physiochemical determinants of Pu deposition in bone after inhalation appear to be similar to those for alkaline earths. Histomorphometric data from actual bone surfaces marked in vivo with fluorescent labels given to a juvenile dog and then 13 years later give direct evidence that actinides not removed metabolically may never be removed by remodelling processes. (author)

  1. Model for trace metal exposure in filter-feeding flamingos at alkaline Rift Valley Lake, Kenya

    Energy Technology Data Exchange (ETDEWEB)

    Nelson, Y.M.; DiSante, C.J.; Lion, L.W. [Cornell Univ., Ithaca, NY (United States). School of Civil and Environmental Engineering; Thampy, R.J.; Raini, J.A. [Worldwide Fund for Nature, Nakuru (Kenya). Lake Nakuru Conservation and Development Project; Motelin, G.K. [Egerton Univ., Njoro (Kenya). Dept. of Animal Health

    1998-11-01

    Toxic trace metals have been implicated as a potential cause of recent flamingo kills at Lake Nakuru, Kenya. Chromium (Cr), copper (Cu), lead (Pb), and zinc (Zn) have accumulated in the lake sediments as a result of unregulated discharges and because this alkaline lake has no natural outlet. Lesser flamingos (Phoeniconaias minor) at Lake Nakuru feed predominantly on the cyanobacterium Spirulina platensis, and because of their filter-feeding mechanism, they are susceptible to exposure to particle-bound metals. Trace metal adsorption isotherms to lake sediments and S. platensis were obtained under simulated lake conditions, and a mathematical model was developed to predict metal exposure via filter feeding based on predicted trace metal phase distribution. Metal adsorption to suspended solids followed the trend Pb {much_gt} Zn > Cr > Cu, and isotherms were linear up to 60 {micro}g/L. Adsorption to S. platensis cells followed the trend Pb {much_gt} Zn > Cu > Cr and fit Langmuir isotherms for Cr, Cu and Zn and a linear isotherm for Pb. Predicted phase distributions indicated that Cr and Pb in Lake Nakuru are predominantly associated with suspended solids, whereas Cu and Zn are distributed more evenly between the dissolved phase and particulate phases of both S. platensis and suspended solids. Based on established flamingo feeding rates and particle size selection, predicted Cr and Pb exposure occurs predominantly through ingestion of suspended solids, whereas Cu and Zn exposure occurs through ingestion of both suspended solids and S. platensis. For the lake conditions at the time of sampling, predicted ingestion rates based on measured metal concentrations in lake suspended solids were 0.71, 6.2, 0.81, and 13 mg/kg-d for Cr, Cu, Pb, and Zn, respectively.

  2. Electrons and Spin Waves in Heavy Rare Earth Metals

    DEFF Research Database (Denmark)

    Mackintosh, A. R.

    1972-01-01

    Although the main principles governing the magnetic interactions and magnetic ordering in rare earth metals have been qualitatively understood for some time, it is only relatively recently that a sufficiently detailed study has been made of their electronic and magnetic excitations to place...

  3. Novel alkaline earth copper germanates with ferro and antiferromagnetic S=1/2 chains

    Energy Technology Data Exchange (ETDEWEB)

    Brandao, Paula [CICECO, Universidade de Aveiro, 3810-193 Aveiro (Portugal); Reis, Mario S. [Instituto de Fisica, Universidade Federal Fluminense, Av. Gal. Milton Tavares de Souza s/n, 24210-346 Niteroi-RJ (Brazil); Gai, Zheng [Center for Nanophase Materials Sciences, Oak Ridge National Laboratory Oak Ridge, TN 37831-6487 (United States); Santos, Antonio M. dos, E-mail: dossantosam@ornl.gov [Quantum Condensed Matter Division, Neutron Sciences Directorate, Oak Ridge National Laboratory Oak Ridge, TN 37831-6460 (United States)

    2013-02-15

    Two new alkaline earth copper(II) germanates were hydrothermally synthesized: CaCuGeO{sub 4}{center_dot}H{sub 2}O (1) and BaCu{sub 2}Ge{sub 3}O{sub 9}{center_dot}H{sub 2}O (2), and their structures determined by single crystal X-ray diffraction. Compound (1) crystallizes in space group P2{sub 1}/c with a=5.1320(2) Angstrom-Sign , b=16.1637(5) Angstrom-Sign , c=5.4818(2) Angstrom-Sign , {beta}=102.609(2) Degree-Sign , V=443.76(3) Angstrom-Sign {sup 3} and Z=4. This copper germanate contains layers of composition [CuGeO{sub 4}]{sub {infinity}}{sup 2-} comprising CuO{sub 4} square planes and GeO{sub 4} tetrahedra with calcium and water molecules in the inter-layer space. Compound (2) crystallizes in the Cmcm space group with a=5.5593(3) Angstrom-Sign , b=10.8606(9) Angstrom-Sign , c=13.5409(8) Angstrom-Sign , V=817.56(9) Angstrom-Sign {sup 3} and Z=4. This structure contains GeO{sub 6} and CuO{sub 6} octahedra as well as GeO{sub 4} tetrahedra, forming a three-dimensional network of interconnecting six-membered ring channels. The magnetic susceptibility for both samples can be interpreted as S=1/2 chains, in agreement with the copper topology observed in the crystal structure. The susceptibility of (1) exhibits a Bonner-Fisher type behavior, resulting from antiferromagnetic intra-chain interactions without three-dimensional ordering down to 5 K-the lowest measured temperature. This observation, together with the absence of super-exchange paths between the copper chains, make this system particularly promising for the study of low dimensional magnetism. The magnetic properties of (2) show a very weak ferromagnetic near-neighbor interaction along the chain. In this compound a peak the {chi}T plot seems to indicate the onset of interchain antiferromagentic correlations. However, no ordering temperature is detected in the susceptibility data. - Graphical abstract: Copper chains present in CaCuGeO{sub 4}{center_dot}H{sub 2}O and BaCu{sub 2}Ge{sub 3}O{sub 9}{center

  4. Catalysis using hydrous metal oxide ion exchanges

    Science.gov (United States)

    Dosch, Robert G.; Stephens, Howard P.; Stohl, Frances V.

    1985-01-01

    In a process which is catalyzed by a catalyst comprising an active metal on a carrier, said metal being active as a catalyst for the process, an improvement is provided wherein the catalyst is a hydrous, alkali metal or alkaline earth metal titanate, zirconate, niobate or tantalate wherein alkali or alkaline earth metal cations have been exchanged with a catalytically effective amount of cations of said metal.

  5. Polyoxometalate electrocatalysts based on earth-abundant metals for efficient water oxidation in acidic media

    Science.gov (United States)

    Blasco-Ahicart, Marta; Soriano-López, Joaquín; Carbó, Jorge J.; Poblet, Josep M.; Galan-Mascaros, J. R.

    2018-01-01

    Water splitting is a promising approach to the efficient and cost-effective production of renewable fuels, but water oxidation remains a bottleneck in its technological development because it largely relies on noble-metal catalysts. Although inexpensive transition-metal oxides are competitive water oxidation catalysts in alkaline media, they cannot compete with noble metals in acidic media, in which hydrogen production is easier and faster. Here, we report a water oxidation catalyst based on earth-abundant metals that performs well in acidic conditions. Specifically, we report the enhanced catalytic activity of insoluble salts of polyoxometalates with caesium or barium counter-cations for oxygen evolution. In particular, the barium salt of a cobalt-phosphotungstate polyanion outperforms the state-of-the-art IrO2 catalyst even at pH < 1, with an overpotential of 189 mV at 1 mA cm-2. In addition, we find that a carbon-paste conducting support with a hydrocarbon binder can improve the stability of metal-oxide catalysts in acidic media by providing a hydrophobic environment.

  6. Study of conformational and acid-base properties of norbadione A and pulvinic derivatives: Consequences on their complexation properties of alkaline and alkaline earth cations

    International Nuclear Information System (INIS)

    Kuad, P.

    2006-01-01

    This work deals with the study of norbadione A, a pigment extracted from mushrooms and known to complex cesium cations. The study of the acid-base properties of norbadione A has allowed to determine the relative acidity of the seven protonable functions of the molecule and to reveal a reversible isomerization of the double exocyclic bond of the pulvinic moieties. The observed change of configuration is induced by a hydrogen bond of the H-O-H type and by electrostatic interactions. Moreover, the microscopic protonation mechanism of the norbadione A has been analyzed, considering three different study media where the acid-base properties of the norbadione A are compared. In the presence of 0.15 mol.l -1 of NaCl, it has been observed a remarkable cooperativity in the protonation of the enol groups. At last, the use of different analytical methods (NMR, potentiometry and calorimetry) has allowed to study the complexing properties of the norbadione A towards cesium and other alkaline and rare earth cations. (O.M.)

  7. Chemoselective single-site Earth-abundant metal catalysts at metal-organic framework nodes.

    Science.gov (United States)

    Manna, Kuntal; Ji, Pengfei; Lin, Zekai; Greene, Francis X; Urban, Ania; Thacker, Nathan C; Lin, Wenbin

    2016-08-30

    Earth-abundant metal catalysts are critically needed for sustainable chemical synthesis. Here we report a simple, cheap and effective strategy of producing novel earth-abundant metal catalysts at metal-organic framework (MOF) nodes for broad-scope organic transformations. The straightforward metalation of MOF secondary building units (SBUs) with cobalt and iron salts affords highly active and reusable single-site solid catalysts for a range of organic reactions, including chemoselective borylation, silylation and amination of benzylic C-H bonds, as well as hydrogenation and hydroboration of alkenes and ketones. Our structural, spectroscopic and kinetic studies suggest that chemoselective organic transformations occur on site-isolated, electron-deficient and coordinatively unsaturated metal centres at the SBUs via σ-bond metathesis pathways and as a result of the steric environment around the catalytic site. MOFs thus provide a novel platform for the development of highly active and affordable base metal catalysts for the sustainable synthesis of fine chemicals.

  8. Isolation of radioactive strontium from natural samples. Separation of strontium from alkaline and alkaline earth elements by means of mixed solvent anion exchange

    International Nuclear Information System (INIS)

    Grahek, Z.; Kosutic, K.; Lulic, S.; Kvastek, K.; Eskinja, I.

    1999-01-01

    This paper presents the results of studies which led to the procedures for the chromatographic separation of radioactive strontium from alkaline, earth-alkaline and other elements in natural samples, on columns filled with strong base anion exchangers using alcoholic solutions of nitric acid as eluents. It has been shown that potassium, caesium, calcium, barium, yttrium and strontium can be adsorbed on strong base anion exchangers of the Dowex and Amberlite type, which contain the quaternary ammonium group with nitrate as counter-ion, from solutions of nitric acid in alcohol. Adsorption strength increases in the order methanol 3 in methanol, while they are adsorbed from ethanol and propanol. The adsorption strength is influenced by the polarity of alcohol, by the concentration of nitrate and by pH. The strength with which strontium adsorbs on the exchangers increases in the interval from 0 to 0.25M NH 4 NO 3 in methanol, after which it starts to decrease. Strontium adsorbs to the exchangers from the alcoholic solution of ammonium nitrate twice as strongly as from the alcoholic solution of nitric acid, while a fraction of water in pure alcohol exceeding 10% prevents adsorption. In the mixture of alcohol and nitric acid, the adsorption strength for calcium and strontium increases with the increase of the volume fraction of alcohol with a lower dielectric constant. The rate and strength of adsorption of ions on the exchanger also increase in the series 0.25M HNO 3 in methanol 3 in ethanol 3 in 1-propanol for each individual ion, as well as in the Ca 3 in methanol, 0.25M HNO 3 in ethanol and 0.25M HNO 3 in propanol. Separation is also possible from alcohol mixtures. Strontium separation is most difficult from calcium, while the efficiency of separation increases with a decrease of the polarity of the used alcohol or alcohol mixture. The first group elements of the periodic table are not separated from each other in this way, while the elements of the second group are

  9. Preparation and refining of rare earth metals by electrolytic routes

    International Nuclear Information System (INIS)

    Sahoo, D.K.

    2007-01-01

    Rare earth production has been gaining importance for the last 25 years for a variety of uses ranging from nuclear applications to hydrogen storage materials. Numerous techniques have been formulated to successfully extract pure metal from the ores and amongst them molten salt electrometallurgy looks promising. It being simple, environmental friendly makes the process technoeconomical for some rare earths. However serious issues like high temperature molten salt corrosion and suitability and selection of electrolytes needs to he considered to make the process an industrial one

  10. Suitable alkaline for graphene peeling grown on metallic catalysts using chemical vapor deposition

    International Nuclear Information System (INIS)

    Karamat, S.; Sonuşen, S.; Çelik, Ü.; Uysallı, Y.; Oral, A.

    2016-01-01

    Graphical abstract: - Highlights: • Graphene layers were grown on Pt and Cu foil via ambient pressure chemical vapor deposition method and for the delicate removal of graphene from metal catalysts, electrolysis method was used by using different alkaline (sodium hydroxide, potassium hydroxide, lithium hydroxide and barium hydroxide). • The delamination speed of PMMA/graphene stack was higher during the KOH and LiOH electrolysis as compare to NaOH and Ba(OH) 2 . Ba(OH) 2 is not advisable because of the residues left on the graphene surface which would further trapped in between graphene and SiO 2 /Si surface after transfer. The average peeling time in case of Pt electrode is ∼6 min for KOH and LiOH and ∼15 min for NaOH and Ba(OH) 2 . • Electrolysis method also works for the Cu catalyst. The peeling of graphene was faster in the case of Cu foil due to small size of bubbles which moves faster between the stack and the electrode surface. The average peeling time was ∼3–5 min. • XPS analysis clearly showed that the Pt substrates can be re-used again. Graphene layer was transferred to SiO 2 /Si substrates and to the flexible substrate by using the same peeling method. - Abstract: In chemical vapor deposition, the higher growth temperature roughens the surface of the metal catalyst and a delicate method is necessary for the transfer of graphene from metal catalyst to the desired substrates. In this work, we grow graphene on Pt and Cu foil via ambient pressure chemical vapor deposition (AP-CVD) method and further alkaline water electrolysis was used to peel off graphene from the metallic catalyst. We used different electrolytes i.e., sodium hydroxide (NaOH), potassium hydroxide (KOH), lithium hydroxide (LiOH) and barium hydroxide Ba(OH) 2 for electrolysis, hydrogen bubbles evolved at the Pt cathode (graphene/Pt/PMMA stack) and as a result graphene layer peeled off from the substrate without damage. The peeling time for KOH and LiOH was ∼6 min and for Na

  11. Divalent metal ion effect on helix-coil transition of high molecular weight DNA in neutral and alkaline solutions

    Czech Academy of Sciences Publication Activity Database

    Sorokin, V. A.; Valeev, V. A.; Usenko, E. L.; Andrushchenko, Valery

    2011-01-01

    Roč. 48, č. 2 (2011), s. 369-374 ISSN 0141-8130 R&D Projects: GA ČR GAP208/10/0559 Institutional research plan: CEZ:AV0Z40550506 Keywords : DNA melting * alkaline solution * metal complex * differential UV spectroscopy * thermal denaturation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.453, year: 2011

  12. Crystal field in rare-earth metals and intermetallic compounds

    International Nuclear Information System (INIS)

    Ray, D.K.

    1978-01-01

    Reasons for the success of the crystal-field model for the rare-earth metals and intermetallic compounds are discussed. A review of some of the available experimental results is made with emphasis on cubic intermetallic compounds. Various sources of the origin of the crystal field in these metals are discussed in the background of the recent APW picture of the conduction electrons. The importance of the non-spherical part of the muffin-tin potential on the single-ion anisotropy is stressed. (author)

  13. Present status of production and utilization of rare earth metals and their compounds

    International Nuclear Information System (INIS)

    Al'perina, E.M.; Tsygankova, G.V.

    1983-01-01

    The status of raw material sources and production of rare earth metals and their compounds abroad is considered. Prices for rare earth raw materials, metals and their compounds are discussed. Special attention is paid to consumption of rare earth metals and their compounds and to perspectives of consumption growth

  14. Environmental Characteristics of Carbonatite and Alkaline Intrusion-related Rare Earth Element (REE) Deposits

    Science.gov (United States)

    Seal, R. R., II; Piatak, N. M.

    2017-12-01

    Carbonatites and alkaline intrusions are important sources of REEs. Environmental risks related to these deposit types have been assessed through literature review and evaluation of the geochemical properties of representative samples of mill tailings and their leachates. The main ore mineral in carbonatite deposits is bastnasite [(Ce,La)(CO3)F], which is found with dolomite and calcite ( 65 %), barite (20 - 25 %), plus a number of minor accessory minerals including sulfides such as galena and pyrite. Generally, alkaline intrusion-related REE deposits either occur in layered complexes or with dikes and veins cutting alkaline intrusions. Such intrusions have a more diverse group of REE ore minerals that include fluorcarbonates, oxides, silicates, and phosphates. Ore also can include minor calcite and iron (Fe), lead (Pb), and zinc (Zn) sulfides. The acid-generating potential of both deposit types is low because of a predominance of carbonate minerals in the carbonatite deposits, the presence of feldspars and minor calcite in alkaline intrusion-related deposits, and to only minor to trace occurrence of potentially acid-generating sulfide minerals. Both deposit types, however, are produced by igneous and hydrothermal processes that enrich high-field strength, incompatible elements, which typically are excluded from common rock-forming minerals. Elements such as yttrium (Y), niobium Nb), zirconium (Zr), hafnium (Hf), tungsten (W), titanium (Ti), tantalum (Ta), scandium (Sc), thorium (Th), and uranium (U) can be characteristic of these deposits and may be of environmental concern. Most of these elements, including the REEs, but with the exception of U, have low solubilities in water at the near-neutral pH values expected around these deposits. Mill tailings from carbonatite deposits can exceed residential soil and sediment criteria for Pb, and leachates from mill tailings can exceed drinking water guidelines for Pb. The greatest environmental challenges, however, are

  15. Electronic Structure of Rare-Earth Metals. II. Positron Annihilation

    DEFF Research Database (Denmark)

    Williams, R. W.; Mackintosh, Allan

    1968-01-01

    The angular correlation of the photons emitted when positrons annihilate with electrons has been studied in single crystals of the rare-earth metals Y, Gd, Tb, Dy, Ho, and Er, and in a single crystal of an equiatomic alloy of Ho and Er. A comparison of the results for Y with the calculations...... of Loucks shows that the independent-particle model gives a good first approximation to the angular distribution, although correlation effects probably smear out some of the structure. The angular distributions from the heavy rare-earth metals are very similar to that from Y and can be understood...... qualitatively in terms of the relativistic augmented-plane-wave calculations by Keeton and Loucks. The angular distributions in the c direction in the paramagnetic phases are characterized by a rapid drop at low angles followed by a hump, and these features are associated with rather flat regions of Fermi...

  16. Thermomagnetic marking of rare-earth-transition-metal thin films

    Science.gov (United States)

    Bartholomeusz, Brian Josef

    1989-01-01

    Analytical derivation of temperature profiles in laser-irradiated thin-film structures is hindered by the nature of the heat source terms and by the geometrical complexity that often exists. This study utilizes a combined Laplace-transform-Fourier-integral method to obtain approximate solutions for a number of simple cases. The results are used to study the thermomagnetic marking process in rare-earth-transition-metal (RE-TM) thin films, and the predictions are compared with experimental observations.

  17. Rare metal and rare earth pegmatites of Western India

    International Nuclear Information System (INIS)

    Maithani, P.B.; Nagar, R.K.

    1999-01-01

    Rajasthan Mica Belt in western India is one of the three major mica-producing Proterozoic pegmatite belts of India, the others being in Bihar and Andhra Pradesh. The pegmatites of these mica belts, in general, are associated with the rare metal (RM) and rare earth element (REE)-bearing minerals like columbite-tantalite, beryl, lepidolite and other multiple oxides. RM-REE pegmatites of Gujarat are devoid of commercially workable mica. These pegmatites are geologically characterised in this paper, based on their association with granite plutons geochemistry, and RM and REE potential. In addition to RM and RE-bearing pegmatites, granites of the Umedpur area, Gujarat also show anomalous concentration (0.97 wt%) of rare metals (6431 ppm Nb, 1266 ppm Ta, 454 ppm Sn, 173 ppm W), (1098 ppm Ce 1.36% Y 2 O 3 ) rare earths, and uranium (0.40% eU 3 O 8 ). Eluvial concentrations in the soil and panned concentrate (0.04-0.28 wt%) analysed up to 7.4%Nb 2 O 5 , 836 ppm Ta, and 1.31% Y. Discrete columbite-tantalite and betafite have been identified in these concentrates in addition to other minerals like zircon, rutile, sphene and xenotime. This area with discrete RM R EE mineral phases could be significant as a non-pegmatite source for rare metal and rare earths. (author)

  18. Outstanding resistance and passivation behaviour of new Fe-Co metal-metal glassy alloys in alkaline media.

    Directory of Open Access Journals (Sweden)

    Khadijah M Emran

    Full Text Available The electrochemical behavior of the oxide layers on two metal-metal glassy alloys, Fe78Co9Cr10Mo2Al1 (VX9and Fe49Co49V2 (VX50 (at.%, were studied using electrochemical techniques including electrochemical frequency modulation (EFM, electrochemical impedance spectroscopy (EIS and cyclic polarization (CP measurements. The morphology and composition of the alloy surfaces were investigated using X-ray photoelectron spectroscopy (XPS, scanning electron microscopy (SEM and atomic force microscopy (AFM. The corrosion rate and surface roughness of both alloys increased as the concentration of NaOH in aqueous solution was raised. The presence of some protective elements in the composition of the alloys led to the formation of a spontaneous passive layer on the alloy surface. The higher resistance values of both alloys were associated with the magnitude of the dielectric properties of the passive films formed on their surfaces. Both alloys are classified as having outstanding resistance to corrosion, which results from the formation of a passive film that acts as an efficient barrier to corrosion in alkaline solution.

  19. Outstanding resistance and passivation behaviour of new Fe-Co metal-metal glassy alloys in alkaline media.

    Science.gov (United States)

    Emran, Khadijah M; Al-Harbi, Albandaree K

    2018-01-01

    The electrochemical behavior of the oxide layers on two metal-metal glassy alloys, Fe78Co9Cr10Mo2Al1 (VX9)and Fe49Co49V2 (VX50) (at.%), were studied using electrochemical techniques including electrochemical frequency modulation (EFM), electrochemical impedance spectroscopy (EIS) and cyclic polarization (CP) measurements. The morphology and composition of the alloy surfaces were investigated using X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM) and atomic force microscopy (AFM). The corrosion rate and surface roughness of both alloys increased as the concentration of NaOH in aqueous solution was raised. The presence of some protective elements in the composition of the alloys led to the formation of a spontaneous passive layer on the alloy surface. The higher resistance values of both alloys were associated with the magnitude of the dielectric properties of the passive films formed on their surfaces. Both alloys are classified as having outstanding resistance to corrosion, which results from the formation of a passive film that acts as an efficient barrier to corrosion in alkaline solution.

  20. Investigation of the Alkaline Electrochemical Interface and Development of Composite Metal/Metal-Oxides for Hydrogen and Oxygen Electrodes

    Science.gov (United States)

    Bates, Michael

    Understanding the fundamentals of electrochemical interfaces will undoubtedly reveal a path forward towards a society based on clean and renewable energy. In particular, it has been proposed that hydrogen can play a major role as an energy carrier of the future. To fully utilize the clean energy potential of a hydrogen economy, it is vital to produce hydrogen via water electrolysis, thus avoiding co-production of CO2 inherent to reformate hydrogen. While significant research efforts elsewhere are focused on photo-chemical hydrogen production from water, the inherent low efficiency of this method would require a massive land-use footprint to achieve sufficient hydrogen production rates to integrate hydrogen into energy markets. Thus, this research has primarily focused on the water splitting reactions on base-metal catalysts in the alkaline environment. Development of high-performance base-metal catalysts will help move alkaline water electrolysis to the forefront of hydrogen production methods, and when paired with solar and wind energy production, represents a clean and renewable energy economy. In addition to the water electrolysis reactions, research was conducted to understand the de-activation of reversible hydrogen electrodes in the corrosive environment of the hydrogen-bromine redox flow battery. Redox flow batteries represent a promising energy storage option to overcome the intermittency challenge of wind and solar energy production methods. Optimization of modular and scalable energy storage technology will allow higher penetration of renewable wind and solar energy into the grid. In Chapter 1, an overview of renewable energy production methods and energy storage options is presented. In addition, the fundamentals of electrochemical analysis and physical characterization of the catalysts are discussed. Chapter 2 reports the development of a Ni-Cr/C electrocatalyst with unprecedented mass-activity for the hydrogen evolution reaction (HER) in alkaline

  1. Alkaline earth lead and tin compounds Ae2 Pb, Ae2 Sn, Ae =Ca,Sr,Ba, as thermoelectric materials

    Science.gov (United States)

    Parker, David; Singh, David

    2014-03-01

    We present a detailed theoretical study of three alkaline earth compounds Ca2Pb, Sr2Pb and Ba2Pb, which have undergone little previous study, calculating electronic band structures and Boltzmann transport and bulk moduli using density functional theory. We also study the corresponding tin compounds Ca2Sn, Sr2Sn and Ba2Sn. We find that these are all narrow band gap semiconductors with an electronic structure favorable for thermoelectric performance, with substantial thermopowers for the lead compounds at temperature ranges from 300 to 800 K. For the lead compounds, we further find very low calculated bulk moduli - roughly half of the values for the lead chalcogenides, suggestive of soft phonons and hence low lattice thermal conductivity. All these facts indicate that these materials merit experimental investigation as potential high performance thermoelectrics. We find good potential for thermoelectric performance in the environmentally friendly stannide materials, particularly at high temperature.

  2. Alkaline earth lead and tin compounds Ae2Pb, Ae2Sn, Ae = Ca, Sr, Ba, as thermoelectric materials

    Directory of Open Access Journals (Sweden)

    David Parker and David J Singh

    2013-01-01

    Full Text Available We present a detailed theoretical study of three alkaline earth compounds Ca2Pb, Sr2Pb and Ba2Pb, which have undergone little previous study, calculating electronic band structures and Boltzmann transport and bulk moduli using density functional theory. We also study the corresponding tin compounds Ca2Sn, Sr2Sn and Ba2Sn. We find that these are all narrow band gap semiconductors with an electronic structure favorable for thermoelectric performance, with substantial thermopowers for the lead compounds at temperature ranges from 300 to 800 K. For the lead compounds, we further find very low calculated bulk moduli—roughly half of the values for the lead chalcogenides, suggestive of soft phonons and hence low lattice thermal conductivity. All these facts indicate that these materials merit experimental investigation as potential high performance thermoelectrics. We find good potential for thermoelectric performance in the environmentally friendly stannide materials, particularly at high temperature.

  3. Methanol synthesis using a catalyst combination of alkali or alkaline earth salts and reduced copper chromite for methanol synthesis

    Science.gov (United States)

    Tierney, John W.; Wender, Irving; Palekar, Vishwesh M.

    1993-01-01

    The present invention relates to a novel route for the synthesis of methanol, and more specifically to the production of methanol by contacting synthesis gas under relatively mild conditions in a slurry phase with a catalyst combination comprising reduced copper chromite and basic alkali salts or alkaline earth salts. The present invention allows the synthesis of methanol to occur in the temperature range of approximately 100.degree.-160.degree. C. and the pressure range of 40-65 atm. The process produces methanol with up to 90% syngas conversion per pass and up to 95% methanol selectivity. The only major by-product is a small amount of easily separated methyl formate. Very small amounts of water, carbon dioxide and dimethyl ether are also produced. The present catalyst combination also is capable of tolerating fluctuations in the H.sub.2 /CO ratio without major deleterious effect on the reaction rate. Furthermore, carbon dioxide and water are also tolerated without substantial catalyst deactivation.

  4. Physical and optical absorption studies of Fe{sup 3+} - ions doped lithium borate glasses containing certain alkaline earths

    Energy Technology Data Exchange (ETDEWEB)

    Bhogi, Ashok [VNR Vignana Jyothi Institute of Engineering and Technology, Hyderabad, Telangana (India); Kumar, R. Vijaya [School of Physics, University of Hyderabad, Hyderabad, Telangana (India); Kistaiah, P., E-mail: pkistaiah@yahoo.com [Department of Physics, Osmania University, Hyderabad, Telangana (India)

    2016-05-23

    Iron ion doped lithium borate glasses with the composition 15RO-25Li{sub 2}O-59B{sub 2}O{sub 3}-1Fe{sub 2}O{sub 3} (where R= Ca, Sr and Ba) have been prepared by the conventional melt quenching technique and characterized to investigate the physical and optical properties using XRD, density, molar volume and UV-Visible spectroscopy. The optical absorption spectra exhibit a band at around 460 nm which is assigned to {sup 6}A{sub 1g}(S) → 4E{sub g} (G) of Fe{sup 3+} ions with distorted octahedral symmetry. From ultraviolet absorption edges, the optical band gap and Urbach energies have been evaluated. The effect of alkaline earths on these properties is discussed.

  5. Quantum mechanical study of molecular collisions at ultra-low energy: applications to alkali and alkaline-earth systems

    International Nuclear Information System (INIS)

    Quemener, G.

    2006-10-01

    In order to investigate the collisional processes which occur during the formation of molecular Bose-Einstein condensates, a time-independent quantum mechanical formalism, based on hyperspherical coordinates, has been applied to the study of atom-diatom dynamics at ultra-low energies. We present theoretical results for three alkali systems, each composed of lithium, sodium or potassium atoms, and for an alkaline-earth system composed of calcium atoms. We also study dynamics at large and positive atom-atom scattering length. Evidence for the suppression of inelastic processes in a fermionic system is given, as well as a linear relation between the atom-diatom scattering length and the atom-atom scattering length. (author)

  6. The retention of 226Ra in human soft tissue and bone; implications for the ICRP 20 alkaline earth model

    International Nuclear Information System (INIS)

    Schlenker, R.A.; Keane, A.T.; Holtzman, R.B.

    1982-01-01

    The ICRP model of alkaline earth metabolism was adjusted to fit data on the 226 Ra content of 87 samples of soft tissue from 17 persons who received radium by injection or ingestion 5 days to 53 yr before measurement. The fitted functions indicate that soft tissue retention rises to 58% of the whole body retention at 18 days after single intake, and then falls steadily reaching 33% at 100 days and 6% at 1000 days. The model also fitted data on bone retention in 5 persons 8-467 days after injection. For both types of tissue, the new functions differ substantially from those originally published. The adjustments improve or do not significantly reduce the model's ability to fit other radium data. (author)

  7. Electrodeposition of alkali and alkali-earth metals on liquid lead cathodes in molten salts

    Energy Technology Data Exchange (ETDEWEB)

    Caravaca, C.; De Cordoba, G. [CIEMAT/DE/DFN/URAA. Avda. Complutense, 22. 28040 Madrid (Spain)

    2008-07-01

    Pyrochemical processing of spent nuclear fuel leads to the dissolution as chlorides of fission products (FPs) that have to be removed in order to recycle the salt. Precipitation technique have been tested for the removal of these FPs in the LiCl-KCl, salt selected as reference, with different results. Salt decontamination from lanthanides can be easily achieved as solid precipitates of oxychlorides or single phosphates; however, for the alkaline and alkaline-earth metals this technique is not suitable. Within the EUROPART project (VI FP of the EC), a new route that consist of the electrodeposition of these FP on a liquid lead cathode (LLC) has been considered, including the Li and K constituting the electrolyte. First results obtained with Sr and Cs are presented herein. Although according to the thermodynamic potential values, the electrodeposition order on LLC is Ba, Sr, Li, K and Cs, during our experiments it was not possible to distinguish the electrochemical signals corresponding to the individual elements. (authors)

  8. Sign Changes in the Electric Dipole Moment of Excited States in Rubidium-Alkaline Earth Diatomic Molecules

    Science.gov (United States)

    Pototschnig, Johann V.; Lackner, Florian; Hauser, Andreas W.; Ernst, Wolfgang E.

    2015-06-01

    In a recent series of combined experimental and theoretical studies we investigated the ground state and several excited states of the Rb-alkaline earth molecules RbSr and RbCa. The group of alkali-alkaline earth (AK-AKE) molecules has drawn attention for applications in ultracold molecular physics and the measurement of fundamental constants due to their large permanent electric and magnetic dipole moments in the ground state. These properties should allow for an easy manipulation of the molecules and simulations of spin models in optical lattices. In our studies we found that the permanent electric dipole moment points in different directions for certain electronically excited states, and changes the sign in some cases as a function of bond length. We summarize our results, give possible causes for the measured trends in terms of molecular orbital theory and extrapolate the tendencies to other combinations of AK and AKE - elements. F. Lackner, G. Krois, T. Buchsteiner, J. V. Pototschnig, and W. E. Ernst, Phys. Rev. Lett., 2014, 113, 153001; G. Krois, F. Lackner, J. V. Pototschnig, T. Buchsteiner, and W. E. Ernst, Phys. Chem. Chem. Phys., 2014, 16, 22373; J. V. Pototschnig, G. Krois, F. Lackner, and W. E. Ernst, J. Chem. Phys., 2014, 141, 234309 J. V. Pototschnig, G. Krois, F. Lackner, and W. E. Ernst, J. Mol. Spectrosc., in Press (2015), doi:10.1016/j.jms.2015.01.006 M. Kajita, G. Gopakumar, M. Abe, and M. Hada, J. Mol. Spectrosc., 2014, 300, 99-107 A. Micheli, G. K. Brennen, and P. Zoller, Nature Physics, 2006, 2, 341-347

  9. Influence of alkali and alkaline earth elements on the uptake of radionuclides by Pleurototus eryngii fruit bodies

    Energy Technology Data Exchange (ETDEWEB)

    Guillen, J., E-mail: fguillen@unex.es [LARUEX, Dpt. Applied Physics, Faculty of Veterinary Science, University of Extremadura, Avda. Universidad, s/n, 10071 Caceres (Spain); Baeza, A.; Salas, A. [LARUEX, Dpt. Applied Physics, Faculty of Veterinary Science, University of Extremadura, Avda. Universidad, s/n, 10071 Caceres (Spain)

    2012-04-15

    In the literature, there are many data available on radionuclide contents and their transfer to different species of mushrooms. There are some variables, however, which affect the transfer but are very difficult to observe in collected wild mushrooms. An example is the effect of different concentrations of alkali and alkaline earth elements in the soil. Modification of these concentrations in the soil solution has traditionally been used as a countermeasure to deal with radioactively contaminated areas. In the present work, fruiting bodies of Pleurotus eryngii, a saprophytic mushroom, were grown under controlled laboratory conditions, varying the content of alkali (potassium and caesium) and alkaline earth (calcium and strontium) elements. The transfer of {sup 134}Cs, {sup 85}Sr, and {sup 60}Co (added to the cultures) and of natural {sup 210}Pb was analysed by increasing the content of each stable element considered. A significant, but nonlinear, enhancement of stable caesium and {sup 134}Cs was observed with increasing content of stable caesium in the substrate/mycelium. The transfer of {sup 85}Sr decreased with the addition of each stable cation, whereas the {sup 60}Co and {sup 210}Pb transfers were unaffected. - Highlights: Black-Right-Pointing-Pointer The addition of stable potassium did not affect the uptake of radiocaesium. Black-Right-Pointing-Pointer The addition of stable caesium increased the stable caesium and {sup 134}Cs content in the fruiting bodies of Pleurotus eryngii. Black-Right-Pointing-Pointer The addition of calcium reduced the content of calcium and {sup 85}Sr in the fruiting bodies. Black-Right-Pointing-Pointer These countermeasures did not work properly in the case of {sup 60}Co and {sup 210}Pb, no effect was observed.

  10. Shape-controlled syntheses of metal oxide nanoparticles by the introduction of rare-earth metals.

    Science.gov (United States)

    Song, Hyo-Won; Kim, Na-Young; Park, Ji-Eun; Ko, Jae-Hyeon; Hickey, Robert J; Kim, Yong-Hyun; Park, So-Jung

    2017-02-23

    Here, we report the size- and shape-controlled synthesis of metal oxide nanoparticles through the introduction of rare-earth metals. The addition of gadolinium oleate in the synthesis of iron oxide nanoparticles induced sphere-to-cube shape changes of nanoparticles and generated iron oxide nanocubes coated with gadolinium. Based on experimental investigations and density functional theory (DFT) calculations, we attribute the shape change to the facet-selective binding of undecomposed gadolinium oleates. While many previous studies on the shape-controlled syntheses of nanoparticles rely on the stabilization of specific crystal facets by anionic surfactants or their decomposition products, this study shows that the interaction between growing transition metal oxide nanoparticles and rare-earth metal complexes can be used as a robust new mechanism for shape-controlled syntheses. Indeed, we demonstrated that this approach was applicable to other transition metal oxide nanoparticles (i.e., manganese oxide and manganese ferrite) and rare earth metals (i.e., gadolinium, europium, and cerium). This study also demonstrates that the nature of metal-ligand bonding can play an important role in the shape control of nanoparticles.

  11. Comparative distributions of alkalies, alkaline earths and lead among major tissues of the tuna Thunnus alalunga

    Energy Technology Data Exchange (ETDEWEB)

    Patterson, C.; Settle, D.

    1977-01-01

    The occurrences of K, Rb, Cs, Ca, Sr, Ba and Pb have been determined in various tissues of the tuna fish Thunnus alalunga. K, Rb, and Cs are distributed uniformly throughout the organs of the fish; 95 percent of the Ca and Sr, and 70 percent of the Ba and Pb are contained in the skeleton. It is found that there are smaller amounts of Cs, Ba and Pb associated with the nutrient metals K and Ca in a marine animal compared to a terrestrial animal. This difference is a result of the purity of K and Ca in seawater and the smaller amounts of trace metals associated with them compared to the impurity of K and Ca in terrestrial rocks. Food-chain enhancement and depletion of metals can be evaluated by comparing ratios of trace metals to abundant nutrient metals in seawater and tuna. Cs in enriched relative to K in going from seawater to tuna by a factor of 13. Sr and Ba are both depleted by factors of 5 relative to Ca in going from seawater to tuna, while Pb is enriched relative to Ca by a factor of 14. Special clean laboratory procedures were used to prepare samples for accurate analysis by stable isotope dilution mass spectrometric techniques.

  12. Theoretical Studies of the Spin Hamiltonian Parameters and Local Distortions for Cu2+ in Alkaline Earth Lead Zinc Phosphate Glasses

    Science.gov (United States)

    Wang, Bo-Kun; Wu, Shao-Yi; Yuan, Zi-Yi; Liu, Zi-Xuan; Jiang, Shi-Xin; Liu, Zheng; Yao, Zi-Jian; Teng, Bao-Hua; Wu, Ming-He

    2016-08-01

    The spin Hamiltonian parameters and local structures are theoretically studied for Cu2+-doped alkaline earth lead zinc phosphate (RPPZ, R=Mg, Ca, Sr, and Ba) glasses based on the high-order perturbation calculations for a tetragonally elongated octahedral 3d9 cluster. The relative elongation ratios are found to be ρ≈3.2%, 4.4%, 4.6%, and 3.3% for R=Mg, Ca, Sr, and Ba, respectively, because of the Jahn-Teller effect. The whole decreasing crystal-field strength Dq and orbital reduction factor k from Mg to Sr are ascribed to the weakening electrostatic coulombic interactions and the increasing probability of productivity of nonbridge oxygen (and hence increasing Cu2+-O2- electron cloud admixtures) under PbO addition, respectively, with increasing alkali earth ionic radius. The anomalies (the largest Dq and the next highest k among the systems) for R=Ba are attributed to the cross linkage of this large cation in the network. The overall increasing order (Mg≤Bacontaining copper dopants.

  13. Melting curve of compressed barium carbonate from in situ ionic conductivity measurements: Implications for the melting behavior of alkaline earth carbonates in Earth's deep carbon cycle

    Science.gov (United States)

    Dong, J.; Li, J.; Zhu, F.; Li, Z.; Farawi, R.

    2017-12-01

    The whereabouts of subducted carbonates place a major constraint on the Earth's deep carbon cycle, but the fraction of carbon retained in the slab and transported into the deep mantle, compared to that released from the slab and recycled to the surface, is still under debate. Knowledge of the stability of carbonated mantle rocks is pivotal for assessing the ability of slabs to carry carbonates into the deep mantle. Determination and systematic comparison of the melting curves of alkali and alkaline earth carbonates at high pressure can help construct thermodynamic models to predict the melting behavior of complex carbonated mantle rocks. Among alkaline earth carbonates, the melting behavior of barium carbonate (BaCO3) has not been adequately understood. The reported melting point of BaCO3at 1 bar differ by nearly 800 °C and constraints on the melting curve of BaCO3 at high pressure are not available. In this study, the melting temperatures of BaCO3 were determined up to 11 GPa from in situ ionic conductivity measurements using the multi-anvil apparatus at the University of Michigan. The solid-liquid boundary at high pressure was detected on the basis of a steep rise in conductivity through the sample upon melting. The melting point of BaCO3 was found to drop from 1797 °C at 3.3 GPa to 1600 °C at 5.5 GPa and then rise with pressure to 2180 °C at 11 GPa. The observed melting depression point at 5.5 GPa corresponds to the phase transition of BaCO3 from the aragonite structure (Pmcn) to post-aragonite structure (Pmmn) at 6.3 GPa, 877 °C and 8.0 GPa, 727 °C, determined from synchrotron X-ray diffraction measurements using laser-heated DAC experiments at the Advanced Photon Source, Argonne National Laboratory. These results are also compared with ex situ falling marker experiments, and the three methods together place tight constraints on the melting curve of BaCO3 and elucidates the effect of structural phase transitions on its melting behavior.

  14. Alkaline sorbent injection for mercury control

    Science.gov (United States)

    Madden, Deborah A.; Holmes, Michael J.

    2002-01-01

    A mercury removal system for removing mercury from combustion flue gases is provided in which alkaline sorbents at generally extremely low stoichiometric molar ratios of alkaline earth or an alkali metal to sulfur of less than 1.0 are injected into a power plant system at one or more locations to remove at least between about 40% and 60% of the mercury content from combustion flue gases. Small amounts of alkaline sorbents are injected into the flue gas stream at a relatively low rate. A particulate filter is used to remove mercury-containing particles downstream of each injection point used in the power plant system.

  15. Rare earth element and rare metal inventory of central Asia

    Science.gov (United States)

    Mihalasky, Mark J.; Tucker, Robert D.; Renaud, Karine; Verstraeten, Ingrid M.

    2018-03-06

    Rare earth elements (REE), with their unique physical and chemical properties, are an essential part of modern living. REE have enabled development and manufacture of high-performance materials, processes, and electronic technologies commonly used today in computing and communications, clean energy and transportation, medical treatment and health care, glass and ceramics, aerospace and defense, and metallurgy and chemical refining. Central Asia is an emerging REE and rare metals (RM) producing region. A newly compiled inventory of REE-RM-bearing mineral occurrences and delineation of areas-of-interest indicate this region may have considerable undiscovered resources.

  16. Electron-phonon coupling in the rare-earth metals

    DEFF Research Database (Denmark)

    Skriver, Hans Lomholt; Mertig, I.

    1990-01-01

    We have estimated the strength of the mass enhancement of the conduction electrons due to electron-phonon interaction in the rare metals Sc, Y, and La–Lu. The underlying self-consistent energy bands were obtained by means of the scalar relativistic linear-muffin-tin-orbital method, and the electron......-phonon parameters were calculated within the Gaspari-Gyorffy formulation. For the heavier rare earths Gd–Tm spin polarization was included both in the band-structure calculations and in the treatment of the electron-phonon coupling to take into account the spin splitting of the conduction electrons induced by the 4...

  17. Far from equilibrium enstatite dissolution rates in alkaline solutions at earth surface conditions

    Science.gov (United States)

    Halder, Sougata; Walther, John V.

    2011-12-01

    Far from equilibrium enstatite dissolution rates both open to atmospheric CO 2 and CO 2 purged were measured as a function of solution pH from 8 to 13 in batch reactors at room temperature. Congruent dissolution was observed after an initial period of incongruent dissolution with preferential Si release from the enstatite. Steady-state dissolution rates in open to atmospheric CO 2 conditions decrease with increase in solution pH from 8 to 12 similar to the behavior reported by other investigators. Judging from the pH 13 dissolution rate, rates increase with pH above pH 12. This is thought to occur because of the increase in overall negative surface charges on enstatite as Mg surface sites become negative above pH 12.4, the pH of zero surface charge of MgO. Steady-state dissolution rates of enstatite increase above pH 10 when CO 2 was purged by performing the experiments in a N 2 atmosphere. This suggests inhibition of dissolution rates above pH 10 when experiments were open to the atmosphere. The dissolved carbonate in these solutions becomes dominantly CO 32- above pH 10.33. It is argued that CO 32- forms a >Mg 2-CO 3 complex at positively charged Mg surface sites on enstatite, resulting in stabilization of the surface Si-O bonds. Therefore, removal of solution carbonate results in an increase in dissolution rates of enstatite above pH 10. The log rate of CO 2-purged enstatite dissolution in moles per cm 2 per s as a function of increasing pH above pH 10 is equal to 0.35. This is consistent with the model of silicate mineral dissolution in the absence of surface carbonation in alkaline solutions proposed earlier in the literature.

  18. Rare earth sulfates

    International Nuclear Information System (INIS)

    Komissarova, L.N.; Shatskij, V.M.; Pokrovskij, A.N.; Chizhov, S.M.; Bal'kina, T.I.; Suponitskij, Yu.L.

    1986-01-01

    Results of experimental works on the study of synthesis conditions, structure and physico-chemical properties of rare earth, scandium and yttrium sulfates, have been generalized. Phase diagrams of solubility and fusibility, thermodynamic and crystallochemical characteristics, thermal stability of hydrates and anhydrous sulfates of rare earths, including normal, double (with cations of alkali and alkaline-earth metals), ternary and anion-mixed sulfates of rare earths, as well as their adducts, are considered. The state of ions of rare earths, scandium and yttrium in aqueous sulfuric acid solutions is discussed. Data on the use of rare earth sulfates are given

  19. Structural, optical absorption and photoluminescence spectral studies of Sm3+ ions in Alkaline-Earth Boro Tellurite glasses

    Science.gov (United States)

    Siva Rama Krishna Reddy, K.; Swapna, K.; Mahamuda, Sk.; Venkateswarlu, M.; Srinivas Prasad, M. V. V. K.; Rao, A. S.; Prakash, G. Vijaya

    2018-05-01

    Sm3+ ions doped Alkaline-Earth Boro Tellurite (AEBT) glasses were prepared by using conventional melt quenching technique and characterized using the spectroscopic techniques such as FT-IR, optical absorption, emission and decay spectral measurements to understand their utility in optoelectronic devices. From absorption spectra, the bonding parameters, nephelauxetic ratios were determined to know the nature of bonding between Sm3+ ions and its surrounding ligands. From the measured oscillator strengths, the Judd-Ofelt (J-O) intensity parameters were evaluated and in turn used to estimate various radiative parameters for the fluorescent levels of Sm3+ ions in AEBT glasses. The PL spectra of Sm3+ ions exhibit three emission bands corresponding to the transitions 4G5/2 → 6H5/2, 6H7/2 and 6H9/2 in the visible region for which the emission cross-sections and branching ratios were evaluated. The decay spectral profiles measured for 4G5/2 → 6H7/2 transition showed single exponential for lower concentration and non-exponential for higher concentration of doped rare earth ion in the as prepared glasses. Conversion of decay spectral profiles from single to non-exponential have been analyzed using Inokuti-Hirayama (I-H) model to understand the energy transfer mechanism involved in the decay process. CIE Chromaticity coordinates were measured using emission spectral data to identify the exact region of emission from the as-prepared glasses. From the evaluated radiative parameters, emission cross-sections and quantum efficiencies, it was observed that AEBT glass with 1 mol% of Sm3+ ions is more suitable for designing optoelectronic devices.

  20. Rare earth metal boron carbide MBC compounds containing monodimensional branched zigzag chains of non-metal atoms: Theoretical aspects

    International Nuclear Information System (INIS)

    Wiitkar, F.; Kahlal, S.; Halet, J.F.; Saillard, J.Y.

    1995-01-01

    The authors apply extended Hueckel calculations to solving the electronic structure of rare earth metal boron carbides. These compounds contain boron-carbon zigzag chains the structure of which is dictated by the ionic nature of the interaction between the chains and the rare earth metal. The authors report a relationship between formal charge of the BC units and structural orientation of the chains

  1. Synthesis and Sintering Behavior of Cordierite Prepared from Multi-Component Materials Including Alkaline-Earth Minerals

    Energy Technology Data Exchange (ETDEWEB)

    Jeong, Suk-In; Kim, Nam-Il; Lee, Sang-Jin [Mokpo National University, Muan (Korea, Republic of)

    2016-10-15

    Cordierite was synthesized using multi-component materials based on a talc-alumina-clay system. The cordierite sintered at 1360 °C showed a high relative density of 98.8% and a low thermal expansion coefficient of 1.59×10{sup -}6/°C. To study the effect of adding alkaline-earth minerals on the cordierite properties, petalite, potash-feldspar, and dicalcium phosphate were added to the synthesized cordierite. In the case of 9 wt% petalite or potash-feldspar addition, the cordierite was more densified; however, the thermal expansion coefficient and the pyroplasticity index were increased. In particular, a 5 μm thick self-glazed coating was formed with the addition of 9 wt% potash-feldspar. In the case of adding dicalcium phosphate, a glass phase was formed at low temperature and gas bubbles formed at high temperature above 1320 ℃. The cordierite synthesized using multi-component materials is expected to be employed as a material for high thermal shock, dense-microstructure flameware.

  2. Transfer of alkaline earth elements in mothers' milk and doses from 45Ca, 90Sr and 226Ra

    International Nuclear Information System (INIS)

    Smith, T.J.; Phipps, A.W.; Fell, T.P.; Harrison, J.D.

    2003-01-01

    An international programme of work is currently under way to develop methods for calculating doses to infants from ingestion of radionuclides present in mothers' milk. This paper considers the special case of the alkaline earth elements. Models have been developed for 45 Ca, 90 Sr and 226 Ra and the sensitivity of results to various changes in parameter values is discussed. A complication when calculating doses from intakes of radium is that the International Commission on Radiological Protection has previously recommended that doses from decay products of radium should be calculated using element-specific biokinetic models (so-called independent biokinetics). An extension of this method to the models for breastfeeding is proposed. Preliminary estimates of the doses received by the infant for a number of maternal intake scenarios show that doses to the infant can exceed the corresponding adult dose, such as for 45 Ca (ratio = 3.1) while, in other cases such as 90 Sr, the infant dose can be a significant fraction of the adult dose. (author)

  3. In vitro genotoxic effects of hard metal particles assessed by alkaline single cell gel and elution assays.

    Science.gov (United States)

    Anard, D; Kirsch-Volders, M; Elhajouji, A; Belpaeme, K; Lison, D

    1997-01-01

    Hard metals (WC-Co) are made of a mixture of cobalt metal (Co, 5-10%) and tungsten carbide particles (WC, >80%). Excessive inhalation of WC-Co is associated with the occurrence of different lung diseases including an excess of lung cancers. The elective toxicity of hard metal is based on a physico-chemical interaction between cobalt metal and tungsten carbide particles to produce activated oxygen species. The aim of the present study was to assess the genotoxic activity of hard metal particles as compared with Co and WC alone. In human peripheral lymphocytes incubated with Co or WC-Co, a dose- and time-dependent increased production of DNA single strand breaks (ssb) was evidenced by alkaline single cell gel electrophoresis (SCGE) and modified alkaline elution (AE) assays. Addition of 1 M formate, a hydroxyl radical scavenger, had a protective effect against the production of ssb by both WC-Co or Co alone. On the basis of an equivalent cobalt-content, WC-Co produced significantly more ssb than Co. WC alone did not produce DNA ssb detectable by the AE assay, but results obtained with the SCGE assay may suggest that it either allows some uncoiling of the chromatin loops or induces the formation of slowly migrating fragments. Overall, this in vitro study is the first demonstration of the clastogenic property of cobalt metal-containing dusts. The results are consistent with the implication of an increased production of hydroxyl radicals when Co is mixed with WC particles. The SCGE results also suggest that WC may modify the structure of the chromatin, leading to an increased DNA sensitivity to clastogenic effects. Both mechanisms are not mutually exclusive and may concurrently contribute to the greater clastogenic activity of WC-Co dust. This property of WC-Co particles may account for the excess of lung cancers observed in hard metal workers.

  4. Electrochemical behaviour of metal hexacyanoferrate converted to metal hydroxide films immobilized on indium tin oxide electrodes-Catalytic ability towards alcohol oxidation in alkaline medium

    International Nuclear Information System (INIS)

    Ganesh, V.; Latha Maheswari, D.; Berchmans, Sheela

    2011-01-01

    Graphical abstract: - Abstract: In this work, we demonstrate a simple method to modify indium tin oxide (ITO) electrodes in order to perform electro-catalytic oxidation of alcohols in alkaline medium. Metal hexacyanoferrate (MHCF) films such as nickel hexacyanoferrate (NiHCF) and copper hexacyanoferrate (CuHCF) were successfully immobilized on ITO electrodes using an electrochemical method. Scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS) were employed to characterize the structural and morphological aspects of MHCF films. Cyclic voltammetry (CV) was used to study the redox properties and to determine the surface coverage of these films on ITO electrodes. Electrochemical potential cycling was carried out in alkaline medium in order to alter the chemical structure of these films and convert to their corresponding metal hydroxide films. SEM and XPS were performed to analyze the structure and morphology of metal hydroxide modified electrodes. Electro-catalytic oxidation ability of these films towards methanol and ethanol in alkaline medium was investigated using CV. From these studies we found that metal hydroxide modified electrodes show a better catalytic performance and good stability for methanol oxidation along with the alleviation of CO poisoning effect. We have obtained an anodic oxidation current density of ∼82 mA cm -2 for methanol oxidation, which is at least 10 fold higher than that of any metal hydroxide modified electrodes reported till date. The onset potential for methanol oxidation is lowered by ∼200 mV compared to other chemically modified electrodes reported. A plausible mechanism was proposed for the alcohol oxidation based on the redox properties of these modified electrodes. The methodology adapted in this work does not contain costlier noble metals like platinum and ruthenium and is economically viable.

  5. Synthesis, characterization and solubility of alkaline earth uranyl carbonates M2[UO2(CO3)3].xH20; M: Mg, Ca, Sr, Ba

    International Nuclear Information System (INIS)

    Amayri, S.

    2002-11-01

    The release and dispersion of uranium from closed uranium mining sites and the resulting uranium contamination of the natural environment of such sites is a major problem examined in this dissertation. Knowledge of the pollution pathways and processes is indispensable for an assessment of the radiological implications for the human population, to be taken into account in the planning of site rehabilitation work. The formation of secondary uranium minerals may contribute to an immobilization of the uranium, but it is possible as well that such secondary uranium minerals will release uranium. A major task of this dissertation therefore was to examine the conditions of formation of alkaline earth uranyl carbonates in the context of their natural occurrence as observed at some sites, and to answer the question of whether hitherto unknown alkaline earth uranyl carbonates may form in the natural environment, and ought to be taken into account as new source terms. (orig./CB) [de

  6. Theoretical studies of the local structures and spin Hamiltonian parameters for Cu2+ in alkaline earth alumino borate glasses

    Science.gov (United States)

    Guo, Jia-Xing; Wu, Shao-Yi; Kuang, Min-Quan; Peng, Li; Wu, Li-Na

    2018-01-01

    The local structures and spin Hamiltonian parameters are theoretically studied for Cu2+ in alkaline earth alumino borate (XAB, X = Mg, Ca and Sr) glasses by using the perturbation calculations for tetragonally elongated octahedral 3d9 groups. The [CuO6]10‑ groups are subject to the large relative tetragonal elongation ratios of 15.4%, 13.4% and 13.0% for MgAB, CaAB and SrAB glasses, respectively, arising from the Jahn-Teller effect. The decreasing cubic field parameter Dq, orbital reduction factor k and relative elongation ratio with the increase of the radius of alkaline earth ion X from Mg to Ca or Sr are analyzed for the studied systems in a uniform way.

  7. The magnetoresistivity of some rare-earth metals

    International Nuclear Information System (INIS)

    Webber, G.D.

    1978-10-01

    The thesis describes measurements of the low temperature transverse magnetoresistivities of single crystals of rare-earth metals in magnetic fields up to 8 Tesla. A general introduction to the rare-earths, their magnetic properties and a review of the basic theory and mechanism of magnetoresistivity is given. Details of the crystal structure, growth of single crystals and sample mounting method follow. The experimental equipment and measuring techniques are then described. The low temperature transverse magnetoresistivity of polycrystalline lanthanum and single crystal praseodymium for the temperature range 4.2 - 30K is measured. The separation of the spin-disorder and Fermi-surface orbital effect contributions are described and the theoretical and experimental spin-disorder values compared. Magnetoresistivity measurements for neodymium single crystals (4.2 - 30K) are compared with the magnetic properties determined from neutron diffraction studies. Results for gadolinium single crystals (4.2 - 200K) are compared for two different impurity levels and with previous work. (UK)

  8. Two novel alkaline earth coordination polymers constructed from cinnamic acid and 1,10-phenanthroline: synthesis and structural and thermal properties.

    Science.gov (United States)

    Bendjellal, Nassima; Trifa, Chahrazed; Bouacida, Sofiane; Boudaren, Chaouki; Boudraa, Mhamed; Merazig, Hocine

    2018-02-01

    In coordination chemistry and crystal engineering, many factors influence the construction of coordination polymers and the final frameworks depend greatly on the organic ligands used. The diverse coordination modes of N-donor ligands have been employed to assemble metal-organic frameworks. Carboxylic acid ligands can deprotonate completely or partially when bonding to metal ions and can also act as donors or acceptors of hydrogen bonds; they are thus good candidates for the construction of supramolecular architectures. We synthesized under reflux or hydrothermal conditions two new alkaline earth(II) complexes, namely poly[(1,10-phenanthroline-κ 2 N,N')bis(μ-3-phenylprop-2-enoato-κ 3 O,O':O)calcium(II)], [Ca(C 10 H 7 O 2 ) 2 (C 10 H 8 N 2 )] n , (1), and poly[(1,10-phenanthroline-κ 2 N,N')(μ 3 -3-phenylprop-2-enoato-κ 4 O:O,O':O')(μ-3-phenylprop-2-enoato-κ 3 O,O':O)barium(II)], [Ba(C 10 H 7 O 2 ) 2 (C 10 H 8 N 2 )] n , (2), and characterized them by FT-IR and UV-Vis spectroscopies, thermogravimetric analysis (TGA) and single-crystal X-ray diffraction analysis, as well as by powder X-ray diffraction (PXRD) analysis. Complex (1) features a chain topology of type 2,4 C4, where the Ca atoms are connected by O and N atoms, forming a distorted bicapped trigonal prismatic geometry. Complex (2) displays chains of topology type 2,3,5 C4, where the Ba atom is nine-coordinated by seven O atoms of bridging/chelating carboxylate groups from two cinnamate ligands and by two N atoms from one phenanthroline ligand, forming a distorted tricapped prismatic arrangement. Weak C-H...O hydrogen bonds and π-π stacking interactions between phenanthroline ligands are responsible to the formation of a supramolecular three-dimensional network. The thermal decompositions of (1) and (2) in the temperature range 297-1173 K revealed that they both decompose in three steps and transform to the corresponding metal oxide.

  9. Ab initio study of the neutral and anionic alkali and alkaline earth hydroxides: Electronic structure and prospects for sympathetic cooling of OH.

    Science.gov (United States)

    Kas, Milaim; Loreau, Jérôme; Liévin, Jacques; Vaeck, Nathalie

    2017-05-21

    We have performed a systematic ab initio study on alkali and alkaline earth hydroxide neutral (MOH) and anionic (MOH - ) species where M = Li, Na, K, Rb, Cs or Be, Mg, Ca, Sr, Ba. The CCSD(T) method with extended basis sets and Dirac-Fock relativistic effective core potentials for the heavier atoms has been used to study their equilibrium geometries, interaction energies, electron affinities, electric dipole moment, and potential energy surfaces. All neutral and anionic species exhibit a linear shape with the exception of BeOH, BeOH - , and MgOH - , for which the equilibrium structure is found to be bent. Our analysis shows that the alkaline earth hydroxide anions are valence-bound whereas the alkali hydroxide anions are dipole bound. In the context of sympathetic cooling of OH - by collision with ultracold alkali and alkaline earth atoms, we investigate the 2D MOH - potential energy surfaces and the associative detachment reaction M + OH→- MOH + e - , which is the only energetically allowed reactive channel in the cold regime. We discuss the implication for the sympathetic cooling of OH - and conclude that Li and K are the best candidates for an ultracold buffer gas.

  10. Syntheses and structures of new rare-earth metal tetracyanidoborates

    Energy Technology Data Exchange (ETDEWEB)

    Falk, Fanni; Hackbarth, Liisa; Koeckerling, Martin [Anorganische Festkoerperchemie, Institut fuer Chemie, Universitaet Rostock, Albert-Einstein-Str. 3a, 18059, Rostock (Germany); Herkert, Lorena; Mueller-Buschbaum, Klaus; Finze, Maik [Institut fuer Anorganische Chemie, Institut fuer nachhaltige Chemie and Katalyse mit Bor (ICB), Julius-Maximilians-Universitaet Wuerzburg, Am Hubland, 97074, Wuerzburg (Germany)

    2017-05-04

    Six new rare-earth metal tetracyanidoborates were prepared and characterized by single-crystal X-ray diffraction. Crystals of these salts contain co-crystallized solvent molecules, such as water, acetone, ethanol, or diethyl ether. In [La(EtOH){sub 3}(H{sub 2}O){sub 2}{B(CN)_4}{sub 3}] (1), [La(EtOH)(H{sub 2}O){sub 4}{B(CN)_4}{sub 3}].Et{sub 2}O (2), and [Y(EtOH)(H{sub 2}O){sub 4}{B(CN)_4}{sub 3}].EtOH (6) the tetracyanidoborate anions are all or in part bonded to the RE{sup 3+} ions, whereas in [Pr(H{sub 2}O){sub 9}][B(CN){sub 4}]{sub 3}.(CH{sub 3}){sub 2}CO (3), [Er(H{sub 2}O){sub 8}][B(CN){sub 4}]{sub 3}.(CH{sub 3}){sub 2}CO (4), and [Lu(EtOH)(H{sub 2}O){sub 7}][B(CN){sub 4}]{sub 3}.EtOH.0.5H{sub 2}O (5) the [B(CN){sub 4}]{sup -} anions are not coordinated to the central metal atoms. Only in 1, one of the three crystallographically independent [B(CN){sub 4}]{sup -} anions acts as a bridging ligand. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  11. Alkaline-earth elements of scalp hair and presence of hypertension in housewives: A perspective of chronic effect.

    Science.gov (United States)

    Wang, Bin; Yan, Lailai; Sun, Ying; Yan, Jingjing; Lu, Qun; Zhang, Jingxu; Li, Zhiwen

    2017-08-01

    The relationship between population intakes of alkaline-earth elements (AEEs) and hypertension risk remains under discussion. Hair AEE concentrations can indicate their intake levels into human body. Thus, we aimed to investigate an association of hair AEE concentrations with hypertension risk, and the potential effect of dietary habit on this association. We recruited 398 housewives [163 subjects with hypertension (case group) and 235 subjects without hypertension (control group)] in Shanxi Province of north China. The scalp hair grown in the recent 2 years of each subject was collected and analyzed for the four concerned AEEs [i.e. calcium (Ca), magnesium (Mg), strontium (Sr), and barium (Ba)]. Our study results revealed that median concentrations (μg/g hair) of hair AEEs in the case group were systematically lower than those in control group [i.e. 701 vs. 1271 of Ca, 55.2 vs. 88.3 of Mg, 4.60 vs. 10.4 of Sr, and 1.02 vs. 1.68 of Ba]. Lower levels of the four individual AEEs of hair were associated with an increased presence of hypertension, respectively. Moreover, hair AEE concentrations were all positively correlated with the ingestion frequencies of meat, eggs, fresh vegetables, and fruits, while negatively with that of salted vegetables. A high ingestion frequency of fresh vegetables was associated with a lower prevalence of hypertension with or without adjusting confounders, while salted vegetables revealed a reverse tend. It was concluded that low hair AEEs, as markers of their long-term dietary intake, were associated with the presence of hypertension in a rural Chinese women. Copyright © 2017 Elsevier Ltd. All rights reserved.

  12. Synthesis of borohydrides of rare earth metals by mechanic-chemical methods

    International Nuclear Information System (INIS)

    Gafurov, B.A.; Nasrulloeva, D.Kh.; Khakyorov, I.Z.; Saidov, V.Ya.

    2010-01-01

    Present article is devoted to synthesis of borohydrides of rare earth metals by mechanic-chemical methods. The borohydrides of rare earth metals were obtained by means of mechanic-chemical methods. Physicochemical properties of obtained lanthanoid borohydrides were studied by means of X-ray phase analysis.

  13. Synthesis, structure and reactivity of rare-earth metal complexes containing anionic phosphorus ligands.

    Science.gov (United States)

    Li, Tianshu; Kaercher, Sabrina; Roesky, Peter W

    2014-01-07

    A comprehensive review of structurally characterized rare-earth metal complexes containing anionic phosphorus ligands is presented. Since rare-earth elements form hard ions and phosphorus is considered as a soft ligand, the rare-earth metal phosphorus coordination is regarded as a less favorite combination. Three classes of phosphorus ligands, (1) the monoanionic organophosphide ligands (PR2(-)) bearing one negative charge on the phosphorus atom; (2) the dianionic phosphinidene (PR(2-)) and P(3-) ligands; and (3) the pure inorganic polyphosphide ligands (Pn(x-)), are included here. Particular attention has been paid to the synthesis, structure, and reactivity of the rare-earth metal phosphides.

  14. Removal of metallic Al and Al/Zn alloys in MSWI bottom ash by alkaline treatment.

    Science.gov (United States)

    Xuan, Dongxing; Poon, Chi Sun

    2018-02-15

    In order to reduce the leaching of pollutants and remove the Al and Zn/Al alloy from municipal solid waste incineration bottom ash (MSWIBA), an optimized alkaline pre-treatment procedure was developed in this study. The influences of alkaline conditions on the removal rate of Al and Zn/Al alloy were investigated, including [OH] - concentration, temperature, particle size, liquid/solid ratio and treatment duration. The experimental results showed that the optimized alkaline pre-treatment conditions to efficiently remove the Al and Zn/Al alloy was by using a minimum of 1.0mol/l [OH] - , at 55°C and with a minimal liquid/solid ratio of 5. The removal rate of Al and Zn/Al alloy followed an S-shape curve, in which the slow beginning stage was attributed to the protection of the oxidation layer and the quenched product around the Al and Al/Zn alloy. After 3h of the optimized alkaline pre-treatment, the leaching of Cr, Cu, Pb and Zn of the treated MSWIBA was reduced by more than 90% of that of the original MSWIBA. The alkali-silica reaction test further indicated that the expansion of concrete prepared with the pre-treated MSWIBA was significantly reduced and there was no macro-crack or spalling damage on the surface of the tested specimens. Copyright © 2017 Elsevier B.V. All rights reserved.

  15. High Temperature Alkaline Electrolysis Cells with Metal Foam Based Gas Diffusion Electrodes

    DEFF Research Database (Denmark)

    Chatzichristodoulou, Christodoulos; Allebrod, Frank; Mogensen, Mogens Bjerg

    2016-01-01

    Alkaline electrolysis cells operating at 250°C and 40 bar are able to convert electrical energy into hydrogen at very high efficiencies and power densities. In the present work we demonstrate the application of a PTFE hydrophobic network and Ag nanowires as oxygen evolution electrocatalyst...

  16. Rare-earth metal prices in the USA ca. 1960 to 1994

    Science.gov (United States)

    Hedrick, James B.

    1997-01-01

    Rare-earth metal prices were compiled from the late 1950s and early 1960s through 1994. Although commercial demand for rare-earth metals began in 1908, as the alloy mischmetal, commercial quantities of a wide range of individual rare-earth metals were not available until the late 1950s. The discovery of a large, high-grade rare-earth deposit at Mountain Pass. CA, USA, in 1949, was significant because it led to the production of commercial quantities or rare-earth elements that reduced prices and encouraged wider application of the materials. The availability of ore from Mountain Pass, and other large rare-earth deposits, especially those in Australia and China, has provided the world with abundant resources for rare-earth metal production. This availability, coupled with improved technology from Government and private-sector metallurgical research, has resulted in substantial decreases in rare-earth metal prices since the late 1950s and early 1960s. Price series for the individual rare-earth metals (except promethium) are quoted on a kilogram basis from the late 1950s and early 1960s through 1994. Prices are given in US dollars on an actual and constant dollar basis. Industrial and economic factors affecting prices during this time period are examined.

  17. Half-metallic properties of the (1 1 0) surface of alkali earth metal monosilicides in the zinc blende phase

    International Nuclear Information System (INIS)

    Bialek, B; Lee, J I

    2011-01-01

    An all electron ab initio method was employed to study the electronic and magnetic properties of the (1 1 0) surface of alkaline-earth metal silicides: CaSi, SrSi and BaSi, in the zinc blende structure. The three surfaces are found to conserve the half-metallic properties of their bulk structures with a wide semiconducting energy gap in the spin-up channel. Half-metallic energy gap at the surfaces is small. In the CaSi surface it is of the order of k B T, which indicates that in the CaSi (1 1 0) a transition to a metallic state is possible due to temperature fluctuations. At the same time, the CaSi surface exhibits the strongest magnetic properties with 0.91 μ B magnetic moment on the Si atom in the topmost layer and 0.21 μ B magnetic moment on the Ca atom. In each of the three surfaces we observe a reduction of magnetic moments on the atoms in the subsurface layer and the enhancement of the magnetic moment on the atoms in the topmost layer, as compared with the properties of atoms in the bulk. An analysis of the calculated total and atom projected densities of states leads to a conclusion that the surface effects in the structures are short-range phenomena

  18. Post-collisional alkaline magmatism as gateway for metal and sulfur enrichment of the continental lower crust

    Science.gov (United States)

    Fiorentini, Marco L.; LaFlamme, Crystal; Denyszyn, Steven; Mole, David; Maas, Roland; Locmelis, Marek; Caruso, Stefano; Bui, Thi-Hao

    2018-02-01

    Mafic and ultramafic magmas that intrude into the lower crust can preserve evidence for metal and sulfur transfer from the lithospheric mantle into the lower continental crust. Here we focus on a series of ultramafic, alkaline pipes in the Ivrea Zone (NW Italy), which exposes deeply buried (6-11 kbar), migmatitic metasedimentary rocks intruded by voluminous basaltic magmas of the Mafic Complex, a major crustal underplating event precisely dated via U/Pb CA-IDTIMS on zircon at 286.8 ± 0.4 Ma. The ultramafic pipes postdate the Mafic Complex and from 100 to 300 m wide cumulate-rich conduits. They are hydrated and carbonated, have unusually high incompatible element concentrations and contain blebby and semi-massive Ni-Cu-PGE sulfide mineralisation. The sulfides occur as coarse intergranular nodules (>10 mm) and as small intragranular blebs (Complex. During post-collisional gravitational collapse of the Variscan Orogen, this source produced the alkaline, metal (Ni, Cu, PGE)- and volatile (H2O, CO2, S)-rich mafic-ultramafic magma that formed the deep-crustal intrusion at Valmaggia. U/Pb dating of other chemically and geologically comparable pipes in the area shows that this process was active over at least 40 Ma. The Ivrea pipes illustrate how the lower continental crust can be fertilised with mantle-derived metals and volatiles, which are available for later remobilisation into upper-crustal ore systems. World-class mineral deposits along the margins of lithospheric blocks may thus be the result of both favourable crustal architecture (focussing of magmas and fluids) and localised volatile and metal enrichment of the lower crust related to mantle-derived hydrous metasomatism.

  19. The synthesis and crystal structures of the first rare-earth alkaline-earth selenite chlorides MNd10(SeO3)12Cl8 (M=Ca and Sr)

    International Nuclear Information System (INIS)

    Berdonosov, P.S.; Olenev, A.V.; Dolgikh, V.A.; Lightfoot, P.

    2007-01-01

    Two new alkaline-earth Nd selenite chlorides MNd 10 (SeO 3 ) 12 Cl 8 (M=Ca, Sr) were obtained using crystal growth from alkaline-earth chloride melts in quartz tubes. These new compounds crystallize in the orthorhombic system in space group C cca (no. 68). The compounds were studied by energy dispersive X-ray spectroscopy (EDX) and X-ray diffraction. It was shown that both compounds adopt the same structure type, constructed by complex [M 11 (SeO 3 ) 12 ] 8+ slabs separated by chloride anion layers perpendicular to the longest cell parameter. The SeO 3 groups show a pyramidal shape and may be described as SeO 3 E tetrahedra. Such SeO 3 groups decorate the Nd-O skeletons forming the [M 11 (SeO 3 ) 12 ] 8+ slabs. - Graphical abstract: Two new alkaline-earth Nd selenite chlorides MNd 10 (SeO 3 ) 12 Cl 8 (M=Ca, Sr) were synthesized. These structures are constructed by [M 11 (SeO 3 ) 12 ] 8+ slabs separated by chloride anion layers

  20. Use of EDTA for potentiometric back titration of rare earths and analysis of their mixtures

    International Nuclear Information System (INIS)

    Zayed, M.A.; Rizk, M.S.; Khalifa, H.; Omer, W.F.

    1987-01-01

    Advantage was taken of the stoichiometric reaction between mercury(II), rare earths, alkaline earths, heavy metal ions and EDTA in urotropine buffered media to determine rare earths by back-titration of excess EDTA in the course of estimating a variety of lanthanides or analysing their binary mixture with one of the alkaline earth metals by selective control of pH; or analysing their binary mixtures with heavy metals using fluoride as a good masking agent for rare earths; or analysing their ternary mixtures with both heavy and alkaline earth metals in two steps, one by selective control of pH and the other by masking of rare earths with fluoride at lower pH to estimate the heavy metal. The procedures given are simple, rapid and extremely reliable. 19 refs. (author)

  1. Enzymatically mediated bioprecipitation of heavy metals from industrial wastes and single ion solutions by mammalian alkaline phosphatase.

    Science.gov (United States)

    Chaudhuri, Gouri; Shah, Gaurav A; Dey, Pritam; S, Ganesh; Venu-Babu, P; Thilagaraj, W Richard

    2013-01-01

    The study was aimed at investigating the potential use of calf intestinal alkaline phosphatase (CIAP) enzyme in the removal of heavy metals (Cd(2+), Ni(2+), Co(2+) and Cr(3+/6+)) from single ion solutions as well as tannery and electroplating effluents. CIAP mediated bioremediation (white biotechnology) is a novel technique that is eco-friendly and cost effective unlike the conventional chemical technologies. Typical reactions containing the enzyme (CIAP) and p-nitrophenyl phosphate (pNPP) as substrate in Tris-HCl buffer (pH 8 and 11) and either single ion metal solutions (250 ppm and 1000 ppm) or effluents from tannery or electroplating industry were incubated at 37°C for 30 min, 60 min and 120 min. The inorganic phosphate (P(i)) generated due to catalytic breakdown of pNPP complexes free metal ions as metal-phosphate and the amount of metal precipitated was derived by estimating the reduction in the free metal ion present in the supernatant of reactions employing atomic absorption spectrophotometer (AAS). Better precipitation of metal was obtained at pH 11 than at pH 8 and between the two concentrations of different metals tested, an initial metal concentration of 250 ppm in the reaction gave more precipitation than with 1000 ppm. Experimental data showed that at pH 11, the percentage of removal of metal ions (for an initial concentration of 250 ppm) was in the following order: Cd(2+) (80.99%) > Ni(2+) (64.78%) > Cr(3+) > (46.15%) > Co(2+) (36.47%) > Cr(6+) (32.33%). The overall removal of Cr(3+) and Cr(6+) from tannery effluent was 32.77% and 37.39% respectively in 120 min at pH 11. Likewise, the overall removal of Cd(2+), Co(2+) and Ni(2+) from electroplating effluent was 50.42%, 13.93% and 38.64% respectively in 120 min at pH 11. The study demonstrates that bioprecipitation by CIAP may be a viable and environmental friendly method for clean-up of heavy metals from tannery and electroplating effluents.

  2. New Platinum Alloy Catalysts for Oxygen Electroreduction Based on Alkaline Earth Metals

    DEFF Research Database (Denmark)

    Vej-Hansen, Ulrik Grønbjerg; Escudero-Escribano, M.; Velazquez-Palenzuela, Amado Andres

    2017-01-01

    The energy efficiency of polymer electrolyte membrane fuel cells is mainly limited by overpotentials related to the oxygen reduction reaction (ORR). In this paper, we present new platinum alloys which are active for the ORR and based on alloying Pt with very abundant elements, such as Ca. Theoret...

  3. Molecular dynamics of liquid alkaline-earth metals near the melting ...

    Indian Academy of Sciences (India)

    Good agreement with the experiment is achieved for the binding energy, pair distribution ... the experimental point of view, only a few properties such as the electrical resis- tivity [1], the absolute thermopower [2], ... computed the velocity autocorrelation function (VACF), its memory function and the self-diffusion coefficient.

  4. Molecular dynamics of liquid alkaline-earth metals near the melting ...

    Indian Academy of Sciences (India)

    E-mail: jay baria@yahoo.com. MS received 14 January 2010; accepted 22 April 2010. Abstract. ... of screening with two functions, the Lindhard–Hartree dielectric function εH(q) and the local-field correction G(q), which account for electrostatic ... 0. FN(q) sin(qr) qr dq. (1). 738. Pramana – J. Phys., Vol. 75, No. 4, October 2010 ...

  5. Effect of the kind of alkaline and rare earth ions on the structure of a glass rich in earth; Effet de la nature des ions alcalins et alcalino-terreux sur la structure d un verre riche en terre

    Energy Technology Data Exchange (ETDEWEB)

    Quintas, Arnaud; Caurant, Daniel; Majerus, Odile [Laboratoire de Chimie Appliquee de l Etat Solide, UMR 7574, ENSCP, 11 rue Pierre et Marie Curie, 75231 Paris Cedex 05, (France); Lenoir, Marion; Dussossoy, Jean-Luc [Commissariat a l Energie Atomique, Centre d Etudes de la Vallee du Rhone, DIEC/SCDV/LEBM, 30207 Bagnols-sur-Ceze, (France); Charpentier, Thibault [Service de Chimie Moleculaire, DSM/DRECAM/CEA Saclay, 91191 Gif-sur-Yvette Cedex, (France); Neuville, Daniel R. [Laboratoire de Physique des Mineraux et des Magmas, UMR 7047-CNRS-IPGP, Universite Pierre et Marie Curie, 4 place Jussieu, 75252 Paris Cedex 05, (France); Gervais, C. [Laboratoire de Chimie de la matiere condensee, UMR7574, Universite Pierre et Marie Curie, 4 place Jussieu, F-75252 Paris Cedex 05, (France)

    2006-07-01

    In the framework of a structural study of a nuclear wastes containment glass of type alumino borosilicate and rich in rare earths, the influence of the kind of alkaline or rare earth ions is analyzed. For that, two glasses series have been prepared in which the Na{sup +} ion (respectively Ca{sup 2+} ions) present in the standard composition is totally substituted by another alkaline ion Li{sup +}, K{sup +}, Rb{sup +} or Cs{sup +} (respectively another rare earth ion Mg{sup 2+}, Sr{sup 2+} or Ba{sup 2+}). These glasses, analyzed by optical absorption, Raman and {sup 27}Al or {sup 11}B NMR spectroscopies have revealed the strong impact of the kind of the modifying ion as well as the structure of the vitreous lattice (variation of the ratio BO{sub 3}/BO{sub 4} and local variations of the polymerization degree) than the local surroundings of the rare earth (decrease of the covalency degree of the bond Nd-O with the increase of the field force of the modifying ion). (O.M.)

  6. Sequential Washing with Electrolyzed Alkaline and Acidic Water Effectively Removes Pathogens from Metal Surfaces.

    Directory of Open Access Journals (Sweden)

    Yuichiro Nakano

    Full Text Available Removal of pathogenic organisms from reprocessed surgical instruments is essential to prevent iatrogenic infections. Some bacteria can make persistent biofilms on medical devices. Contamination of non-disposable equipment with prions also represents a serious risk to surgical patients. Efficient disinfection of prions from endoscopes and other instruments such as high-resolution cameras remains problematic because these instruments do not tolerate aggressive chemical or heat treatments. Herein, we develop a new washing system that uses both the alkaline and acidic water produced by electrolysis. Electrolyzed acidic water, containing HCl and HOCl as active substances, has been reported to be an effective disinfectant. A 0.15% NaCl solution was electrolyzed and used immediately to wash bio-contaminated stainless steel model systems with alkaline water (pH 11.9 with sonication, and then with acidic water (pH 2.7 without sonication. Two bacterial species (Staphylococcus aureus and Pseudomonas aeruginosa and a fungus (Candida albicans were effectively removed or inactivated by the washing process. In addition, this process effectively removed or inactivated prions from the stainless steel surfaces. This washing system will be potentially useful for the disinfection of clinical devices such as neuroendoscopes because electrolyzed water is gentle to both patients and equipment and is environmentally sound.

  7. The recent development of efficient Earth-abundant transition-metal nanocatalysts.

    Science.gov (United States)

    Wang, Dong; Astruc, Didier

    2017-02-06

    Whereas noble metal compounds have long been central in catalysis, Earth-abundant metal-based catalysts have in the same time remained undeveloped. Yet the efficacy of Earth-abundant metal catalysts was already shown at the very beginning of the 20th century with the Fe-catalyzed Haber-Bosch process of ammonia synthesis and later in the Fischer-Tropsch reaction. Nanoscience has revolutionized the world of catalysis since it was observed that very small Au nanoparticles (NPs) and other noble metal NPs are extraordinarily efficient. Therefore the development of Earth-abundant metals NPs is more recent, but it has appeared necessary due to their "greenness". This review highlights catalysis by NPs of Earth-abundant transition metals that include Mn, Fe, Co, Ni, Cu, early transition metals (Ti, V, Cr, Zr, Nb and W) and their nanocomposites with emphasis on basic principles and literature reported during the last 5 years. A very large spectrum of catalytic reactions has been successfully disclosed, and catalysis has been examined for each metal starting with zero-valent metal NPs followed by oxides and other nanocomposites. The last section highlights the catalytic activities of bi- and trimetallic NPs. Indeed this later family is very promising and simultaneously benefits from increased stability, efficiency and selectivity, compared to monometallic NPs, due to synergistic substrate activation.

  8. Activation and discovery of earth-abundant metal catalysts using sodium tert-butoxide.

    Science.gov (United States)

    Docherty, Jamie H; Peng, Jingying; Dominey, Andrew P; Thomas, Stephen P

    2017-06-01

    First-row, earth-abundant metals offer an inexpensive and sustainable alternative to precious-metal catalysts. As such, iron and cobalt catalysts have garnered interest as replacements for alkene and alkyne hydrofunctionalization reactions. However, these have required the use of air- and moisture-sensitive catalysts and reagents, limiting both adoption by the non-expert as well as applicability, particularly in industrial settings. Here, we report a simple method for the use of earth-abundant metal catalysts by general activation with sodium tert-butoxide. Using only robust air- and moisture-stable reagents and pre-catalysts, both known and, significantly, novel catalytic activities have been successfully achieved, covering hydrosilylation, hydroboration, hydrovinylation, hydrogenation and [2π+2π] alkene cycloaddition. This activation method allows for the easy use of earth-abundant metals, including iron, cobalt, nickel and manganese, and represents a generic platform for the discovery and application of non-precious metal catalysis.

  9. Alkali earth metal extraction by zirconium salt of dibutylphosphoric acid

    International Nuclear Information System (INIS)

    Zil'berman, B.Ya.; Fedorov, Yu.S.; Shmidt, O.V.; Egorova, O.N.

    2006-01-01

    Zirconium salt of dibutyl phosphoric acid (ZS HDBP) could be used as a TBP-compatible solvent for the treatment of liquid radwaste containing long-lived radionuclides, strontium in particular. The alkali earth metals behaviour during their extraction with ZS HDBP and the influence of TBP on the extraction properties of ZS HDBP were investigated. The maximum of Sr extraction was observed at the molar ratio of Zr:HDBP = 1:9, which is also optimal for TPE and RE extraction. Distribution coefficients increase in the series Ba 3 ). Increase of nitric acid concentration resulted in a decrease of the Sr distribution coefficient with a slope of -3. The distribution coefficients of Sr showed quadratic dependence on the HDBP concentration. The presence of TBP in the solvent resulted in a minor decrease in Sr extraction, this effect being significantly lower than for TPE and RE during their extraction by ZS HDBP. At the same time, full saturation of solvent with Sr was not reached because of precipitation in the solvent phase. When xylene was used as the polar diluent for TBP, the influence of TBP on Sr extraction by ZS HDBP was not as significant as for the hydrocarbons, and the Sr distribution coefficients were ten times lower. Solvent saturation curves for Sr extraction by 0.4 mol/L ZS HDBP with xylene at Zr:HDBP = 1:9 showed that in the absence of TBP, the maximum solvent loading reached 0.014 mol/L Sr, which corresponded to Zr : Sr = 3:1. The solubility of Ca in the extract was significantly lower than that of Sr. A centrifugal contactor rig trial was carried out with the use of simulated solutions and 0.4 mol/L ZS HDBP in 30 % TBP with Isopar-L as the solvent. The extraction was performed while neutralizing the aqueous solution in the flow to a residual acidity of 0.05-0.2 mol/L, the stripping was performed by using 1-3 mol/L HNO 3 . Sr concentrating of 3 was achieved by purification from Cs of 50-100 during extraction from TPE and RE during selective stripping. Special

  10. Joint influence of temperature and ions of metals on level of activity alkaline phosphatase the mucous membrane of intestines beluga, the starlet and their hybrid

    Directory of Open Access Journals (Sweden)

    D. A. Bednyakov

    2010-01-01

    Full Text Available In work joint influence of ions of bivalent metals (Mn, Fe, Co, Ni, Cu and Zn and temperatures on level of activity alkaline phosphatase mucous membrane beluga, starlet and their hybrid is shown. Dependence of response of enzyme on action of ions of metals according to their position in a periodic table of chemical elements is shown. The given dependence remains and at temperature change incubation, only at low temperatures the activating effect of metals being in the period beginning is maximum, and at high, is maximum inhibiting effect of metals being in the period end.

  11. Effect of alkaline earth modifier on the optical and structural properties of Cu2+ doped phosphate glasses as a bandpass filter

    Science.gov (United States)

    Farouk, M.; Samir, A.; El Okr, M.

    2018-02-01

    Glasses of composition [16RO-3Al2O3sbnd 6CuOsbnd 20Na2Osbnd 55P2O5], where R is the alkaline earth (R = Mg, Ca, Sr and Ba mol. %), were prepared by conventional melt quenching technique. The glass samples were characterized by X-ray diffraction, infrared spectroscopy, and spectrophotometer. XRD patterns show no sharp peaks indicating the non-crystalline nature of the prepared glasses. The density and molar volume of the glass systems were determined in order to study their structures. These results revealed that addition of alkaline earth elements leads to the formation of non-bridging oxygens (NBOs) and expands (opens up) the structure. The infrared spectra were analyzed to quantify the present phosphate groups. The optical absorption spectra of Cu2+ ions show the characteristic broadband single of Cu2+ ions in octahedral symmetry. The band gap was estimated following two methodologies. The first method considers the band edge of the transmission, while the second approach relays on the estimated values of the optical constants. A decent agreement for the band gap values using the two methods was obtained.

  12. Syntheses, Vibrational Spectroscopy, and Crystal Structure Determination from X-Ray Powder Diffraction Data of Alkaline Earth Dicyanamides M[N(CN)

    Energy Technology Data Exchange (ETDEWEB)

    Juergens, Barbara; Irran, Elisabeth; Schnick, Wolfgang

    2001-03-01

    The alkaline earth dicyanamides Mg[N(CN){sub 2}]{sub 2}, Ca[N(CN){sub 2}]{sub 2}, Sr[N(CN){sub 2}]{sub 2}, and Ba[N(CN){sub 2}]{sub 2} were synthesized by ion exchange using Na[N(CN){sub 2}] and the respective nitrates or bromides as starting materials. The crystal structures were determined from X-ray powder diffractometry: Mg[N(CN){sub 2}]{sub 2}, Pnnm, Z=2, a=617.14(3), b=716.97(3), and c=740.35(5) pm; Ca[N(CN){sub 2}]{sub 2} and Sr[N(CN){sub 2}]{sub 2}, C2/c, Z=4; Ca[N(CN){sub 2}]{sub 2}, a=1244.55(3), b=607.97(1), and c=789.81(1) pm, {beta}=98.864(2){degree}; Sr[N(CN){sub 2}]{sub 2}, a=1279.63(2), b=624.756(8), and c=817.56(1) pm, {beta}=99.787(1){degree}; Ba[N(CN){sub 2}]{sub 2}, Pnma, Z=4, a=1368.68(7), b=429.07(7), and c=1226.26(2) pm. The dicyanamides consist of the respective alkaline earth cations and bent planar [N(CN){sub 2}]{sup -} ions. The structural features were correlated with vibrational spectroscopic data. The thermal behavior was studied by thermoanalytical experiments.

  13. Quantum mechanics and molecular dynamics simulations of complexation of alkaline-earth and lanthanide cations by poly-amino-carboxylate ligands

    International Nuclear Information System (INIS)

    Durand, S.

    1999-01-01

    Molecular dynamics (MD) simulations on lanthanide(III) and alkaline-earth(II) complexes with poly-amino-carboxylates (ethylene-diamino-tetra-acetate EDTA 4- , ethylene-diamino-tri-acetate-acetic acid EDTA(H) 3- , tetra-aza-cyclo-dodecane-tetra-acetate DOTA 4- , methylene-imidine-acetate MIDA 2- ) are reported. First, a consistent set of Lennard-Jones parameters for La 3+ , Eu 3+ and Lu 3+ cations has been derived from free energy calculations in aqueous solution. Observed differences in hydration free energies, coordination distances and hydration numbers are reproduced. Then, the solution structures of 1:1 complexes of alkaline-earth and/or lanthanide cations with EDTA 4- , EDTA(H) 3- , DOTA 4- and 1:2 complexes of lanthanide cations with MIDA 2- were studied by MD in water. In addition, free energy calculations were performed to study, for each ligand, the relative thermodynamic stabilities of complexes with Ca 2+ vs Sr 2+ and vs Ba 2+ on the one hand, and with La 3+ vs Eu 3+ and vs Lu 3+ on the other hand. Model does not take into account explicitly polarization and charge transfer. However, the results qualitatively agree with experimental complexation data (structure and selectivities). (author)

  14. Metal carbides

    International Nuclear Information System (INIS)

    Wells, A.F.

    1988-01-01

    From the viewpoint of general crystal chemistry principles and on the base of modern data the structural chemistry of metal carbides is presented. The classification deviding metal carbides into 4 groups depending on chemical and physical properties is presented. The features of the crystal structure of carbides of alkali alkaline earth, transition, 4 f- and 5f-elements and their effect on physical and chemical properties are considered

  15. First-Row Transition Metal Based Catalysts for the Oxygen Evolution Reaction under Alkaline Conditions: Basic Principles and Recent Advances.

    Science.gov (United States)

    Lu, Fei; Zhou, Min; Zhou, Yuxue; Zeng, Xianghua

    2017-12-01

    Owing to its abundance, high gravimetric energy density, and environmental friendliness, hydrogen is a promising renewable energy to replace fossil fuels. One of the most prominent routes toward hydrogen acquisition is water splitting, which is currently bottlenecked by the sluggish kinetics of oxygen evolution reaction (OER). Numerous of electrocatalysts have been developed in the past decades to accelerate the OER process. Up to now, the first-row transition metal based compounds are in pole position under alkaline conditions, which have become subjects of extensive studies. Recently, significant advances in providing compelling catalytic performance as well as exploring their catalytic mechanisms have been achieved in this area. In this review, we summarized the fundamentals and recent progresses in first-row transition metal based OER catalysts, with special emphasis on the pathways of promoting catalytic performance by concrete strategies. New insight into material design, particularly the role of experimental approaches in the electrocatalytic performance and reaction mechanisms of OER are expected to be provided. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Development of electrolytic process in molten salt media for light rare-earth metals production. The metallic cerium electrodeposition

    International Nuclear Information System (INIS)

    Restivo, T.A.G.

    1994-01-01

    The development of molten salt process and the respective equipment aiming rare-earth metals recovery was described. In the present case, the liquid cerium metal electrodeposition in a molten electrolytes of cerium chloride and an equimolar mixture of sodium and potassium chlorides in temperatures near 800 C was studied. Due the high chemical reactivity of the rare-earth metals in the liquid state and their molten halides, an electrolytic cell was constructed with controlled atmosphere, graphite crucibles and anodes and a tungsten cathode. The electrolytic process variables and characteristics were evaluated upon the current efficiency and metallic product purity. Based on this evaluations, were suggested some alterations on the electrolytic reactor design and upon the process parameters. (author). 90 refs, 37 figs, 20 tabs

  17. Crystal Fields in Dilute Rare-Earth Metals Obtained from Magnetization Measurements on Dilute Rare-Earth Alloys

    DEFF Research Database (Denmark)

    Touborg, P.; Høg, J.

    1974-01-01

    Crystal field parameters of Tb, Dy, and Er in Sc, Y, and Lu are summarized. These parameters are obtained from magnetization measurements on dilute single crystals, and successfully checked by a number of different methods. The crystal field parameters vary unpredictably with the rare-earth solut....... B40, B60, and B66 are similar in Y and Lu. Crystal field parameters for the pure metals Tb, Dy, and Er are estimated from the crystal fields in Y and Lu....

  18. Chemoselective single-site Earth-abundant metal catalysts at metal–organic framework nodes

    Energy Technology Data Exchange (ETDEWEB)

    Manna, Kuntal; Ji, Pengfei; Lin, Zekai; Greene, Francis X.; Urban, Ania; Thacker, Nathan C.; Lin, Wenbin (UC)

    2016-08-30

    Earth-abundant metal catalysts are critically needed for sustainable chemical synthesis. Here we report a simple, cheap and effective strategy of producing novel earth-abundant metal catalysts at metal–organic framework (MOF) nodes for broad-scope organic transformations. The straightforward metalation of MOF secondary building units (SBUs) with cobalt and iron salts affords highly active and reusable single-site solid catalysts for a range of organic reactions, including chemoselective borylation, silylation and amination of benzylic C–H bonds, as well as hydrogenation and hydroboration of alkenes and ketones. Our structural, spectroscopic and kinetic studies suggest that chemoselective organic transformations occur on site-isolated, electron-deficient and coordinatively unsaturated metal centres at the SBUs via σ-bond metathesis pathways and as a result of the steric environment around the catalytic site. MOFs thus provide a novel platform for the development of highly active and affordable base metal catalysts for the sustainable synthesis of fine chemicals.

  19. Crystalline and amorphous rare-earth metallic compounds

    International Nuclear Information System (INIS)

    Burzo, E.

    1975-01-01

    During the last years the study of magnetic behaviour of rare-earth (or yttrium) compounds with cobalt and iron has growth of interest. This interest of justified by a large area of experimental and theoretical problems coming into being in the study of some rare-earth materials as well as in their technical applications. In the last three years a great number of new rare earth materials were studied and also new models explaining the magnetic behaviour of these systems have been used. In this paper we refer especially to some typical systems in order to analyse the magnetic behaviour of iron and cobalt and also the part played by the magnetic interactions in the values of the cobalt or iron moments. The model used will be generally the molecular field model. In the second chapter we present comparatively the structure of crystalline and amorphous compounds for further correlation with the magnetic properties. In chapter III we analyse the magnetic interactions in some crystalline and amorphous rare-earth alloys. Finally, we exemplify the ways in which we ensure better requried characteristics by the technical utilizations of these materials. These have in view the modifications of the magnetic interactions and are closely related with the analysis made in chapter III

  20. The electrodeposition and rare earths reduction in the molten salt actinides recovery systems using liquid metal

    International Nuclear Information System (INIS)

    Shim, J-B.; Lee, J-H.; Kwon, S-W.; Ahn, B-G.; Woo, M-S.; Lee, B-J.; Kim, E-H.; Park, H-S.; Yoo, J-H.

    2005-01-01

    A pyrochemical partitioning system uses liquid metals such as cadmium and bismuth in order to recover the actinide metals from a molten salt mixture containing rare earth fission product metals. The liquid metals play roles as a cathode in the electrowinning or an extracting phase in the reductive extraction operation. The product resulting from the above operations is metal-cadmium or-bismuth alloy, which should contain the rare earth element amounts as low as possible for a transmutation purpose. In this study, the electrodeposition behaviours of uranium and lanthanide elements such as La, Ce and Nd were investigated for solid molybdenum and liquid cadmium electrodes in a molten LiCl-KCl eutectic salt. Electrochemical methods used are a cyclic voltammetry (CV) and a chronopotentiometry for monitoring the salt phase and recovering the metals, respectively. The CV graphs for monitoring the oxidizing agent CdCl 2 in the salt phase were obtained. These show a time dependently disappearance of the oxidizing agent corresponding to the formation of UCl 3 by inserting the uranium metal into the salt. Also, a sequential oxidation technique which is added at a controlled amount of the oxidizing agents into the salt phase was applied. It was found that this method is feasible for the selective reduction of the rare earths content in liquid metal alloys. (author)

  1. Computational screening of mixed metal halide ammines

    DEFF Research Database (Denmark)

    Jensen, Peter Bjerre; Lysgaard, Steen; Quaade, Ulrich

    2013-01-01

    selection. The GA is evolving from an initial (random) population and selecting those with highest fitness, a function based on e.g. stability, release temperature and storage capacity. The search space includes all alkaline, alkaline earth, 3d and 4d metals and the four lightest halides. In total...

  2. Environmental Defects And Economic Impact On Global Market Of Rare Earth Metals

    Science.gov (United States)

    Charalampides, G.; Vatalis, K.; Karayannis, V.; Baklavaridis, A.

    2016-11-01

    Rare earth elements include the 14 lanthanides as well as lanthanium and often yttrium. Actually, most of them are not very rare and occur widely dispersed in a variety of rocks. Rare earth metals are vital to some of the world's faster growing industries: catalysts, Nd-magnets, ceramics, glass, metallurgy, battery alloys, electronics and phosphors. Worldwide, the main countries for distribution of rare earths deposits include China, USA, Russia, Brasil, India, Australia, Greenland and Malaysia. The mining and processing of rare earth metals usually result in significant environmental defects. Many deposits are associated with high concentrations of radioactive elements such as uranium and thorium, which requires separate treatment and disposal. The accumulation of rare earth elements in soils has occurred due to pollution caused by the exploitation of rare earth resources and the wide use of rare earths as fertilizers in agriculture. This accumulation has a toxic effect on the soil microfauna community. However, there are large differences in market prices due to the degree of purity determined by the specifications in the applications. The main focus of this article is to overview Rare Earth Metals’ overall impact on global economy and their environmental defects on soils during processing techniques and as they are used as fertilizers.

  3. Nickel based alloys as electrocatalysts for oxygen evolution from alkaline solutions. [Metal--air batteries

    Energy Technology Data Exchange (ETDEWEB)

    Lu, P.W.T.; Srinivasan, S.

    1977-01-01

    The slowness of the oxygen evolution reaction is one of the main reasons for significant energy losses in water electrolysis cells and secondary air--metal batteries. To date, data on the kinetics of this reaction on alloys and intermetallic compounds are sparse. In this work, mechanically polished alloys of nickel with Ir, Ru or W and Ni--Ti intermetallic compounds were studied as oxygen electrodes. Since the oxygen evolution reaction always takes place on oxide-film covered surfaces, the nature of oxide films formed on these alloys were investigated using cyclic voltametric techniques. Steady-state potentiostatic and slow potentiodynamic (at 0.1 mV/s) methods were employed to obtain the electrode kinetic parameters for the oxygen evolution reaction in 30 wt. percent KOH at 80/sup 0/C, the conditions normally used in water electrolysis cells. The peaks for the formation or reduction of oxygen-containing layers appearing on the pure metals are not always found on the alloys. The maximum decreases in oxygen overpotential at an apparent current density of 20 mA cm/sup -2/ (as compared with that on Ni) were found for the alloys of 50Ni--50Ir and 75Ni--25Ru and the intermetallic compound Ni/sub 3/Ti, these decreases being about 40, 30, and 20 mV, respectively. On the long-term polarization in the potential region of oxygen evolution, the oxygen-containing layers on Ni--Ir or Ni--Ru alloys are essentially composed of nickel oxides instead of true mixed oxide films of two components. The present work confirms that, possibly because of coverage by oxide films, there is no direct dependence of the electrocatalytic activities of the alloys on their electronic properties. 11 figures, 1 table.

  4. A modelling exercise on the importance of ternary alkaline earth carbonate species of uranium(VI) in the inorganic speciation of natural waters

    International Nuclear Information System (INIS)

    Vercouter, Thomas; Reiller, Pascal E.; Ansoborlo, Eric; Février, Laureline; Gilbin, Rodolphe; Lomenech, Claire; Philippini, Violaine

    2015-01-01

    Highlights: • The U(VI) speciation in natural waters has been modelled through a modelling exercise. • The results evidence the importance of alkaline earth U(VI) carbonate complexes. • Possible solubility-controlling phases were reported and discussed. • The differences were related to the choice and reliability of thermodynamic data. • Databases need to be improved for reliable U(VI) speciation calculations. - Abstract: Predictive modelling of uranium speciation in natural waters can be achieved using equilibrium thermodynamic data and adequate speciation software. The reliability of such calculations is highly dependent on the equilibrium reactions that are considered as entry data, and the values chosen for the equilibrium constants. The working group “Speciation” of the CETAMA (Analytical methods establishment committee of the French Atomic Energy commission, CEA) has organized a modelling exercise, including four participants, in order to compare modellers’ selections of data and test thermodynamic data bases regarding the calculation of U(VI) inorganic speciation. Six different compositions of model waters were chosen so that to check the importance of ternary alkaline earth carbonate species of U(VI) on the aqueous speciation, and the possible uranium solid phases as solubility-limiting phases. The comparison of the results from the participants suggests (i) that it would be highly valuable for end-users to review thermodynamic constants of ternary carbonate species of U(VI) in a consistent way and implement them in available speciation data bases, and (ii) stresses the necessary care when using data bases to avoid biases and possible erroneous calculations

  5. Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand

    Czech Academy of Sciences Publication Activity Database

    Cheng, P. C.; Tseng, F. S.; Yeh, C. T.; Chang, T. G.; Kao, C. C.; Lin, C. H.; Liu, W. R.; Chen, J. S.; Zima, Vítězslav

    2012-01-01

    Roč. 14, č. 20 (2012), s. 6812-6822 ISSN 1466-8033 Institutional support: RVO:61389013 Keywords : metal organic frameworks * structure * carboxylates Subject RIV: CA - Inorganic Chemistry Impact factor: 3.879, year: 2012

  6. Origin of uranium and rare earth minerals in bone detritus from rare metal deposits

    Science.gov (United States)

    Baturin, G. N.; Dubinchuk, V. T.

    2011-06-01

    In order to ascertain the forms in which uranium is present in ores of the Melovoe rare metal sedimentary deposit of uranium and rare earth minerals (South Mangyshlak), we investigated a series of typical ore samples that were collected earlier; both the uranium content and the total content of rare earth metals in them lay within 0.1-0.3%. The study was carried out by analytical electron microscopy using transmission electron microscopy and scanning electron microscopy, electron microdiffraction, and microprobing. It was ascertained that both uranium and rare earth elements are present in ore mostly associated with biogenic phosphate in the form of natural minerals, such as uraninite, ningyoite, coffinite, autenite, and churchite. Iron hydroxides and graphitized organic matter are present in some samples. It is assumed that the co-occurrence of uranium and rare earth elements, which is nontypical for the sedimentary process, resulted from secondary epigenetic processes and alternation of reducing and oxidizing environmental conditions.

  7. High-Field Magnetization of Light Rare-Earth Metals

    DEFF Research Database (Denmark)

    McEwen, K.A.; Cock, G.J.; Roeland, L.W.

    1973-01-01

    The magnetization of single crystals of Eu, Sm, Nd, Pr, and Pr-Nd alloys has been measured in fields up to 37 T (370 kG). The results give new information on the magnetic properties of these metals. Of particular interest is a first-order transition from a nonmagnetic to a metamagnetic phase in d...

  8. Contribution to the theoretical study of metallic systems containing rare earths: hyperfine interactions and exchange coupling

    International Nuclear Information System (INIS)

    Troper, A.

    1978-01-01

    A theoretical study involving rare earth impurities, which were embedded in transition metals (s-p or noble), from the point of view of the hyperfine interactions is presented. A model was created to describe a d-resonance (Anderson-Moriya) acting on a s-p conduction band which was strongly perturbed by a slater-koster potential, used to describe the rare earths which were diluted in matrices of transition elements. (author)

  9. Calculations in solvent extraction of rare earth metals

    International Nuclear Information System (INIS)

    Sadanandam, R.; Sharma, A.K.; Fonseca, M.F.; Hubli, R.C.; Suri, A.K.; Singh, D.K.

    2010-01-01

    The paper deals with calculation of number of countercurrent stages in solvent extraction of rare earths both under total reflux and partial reflux conditions to achieve a given degree of purification and recovery. The use of Fenske's equation normally used for separation by distillation is proposed to calculate the number of stages required under total reflux, replacing relative volatility by separation factor. Kremser's equations for extraction and scrubbing are used to calculate the number of stages in extraction and scrubbing modules under partial reflux conditions. McCabe-Thiele's approach is also adopted to arrive at the number of scrubbing stages. (author)

  10. New technology of extracting the amount of rare earth metals from the red mud

    International Nuclear Information System (INIS)

    Martoyan, G A; Karamyan, G G; Vardan, G A

    2016-01-01

    The paper outlined the environmental and economic problems associated with red mud - the waste generated in processing of bauxite ore for aluminum production. The chemical analysis of red mud has identified a number of useful elements including rare earth metals. The electromembrane technology of red mud processing with extraction of valuable elements is described. A possible scheme of separation of these metals through electrolysis is also given. (paper)

  11. New technology of extracting the amount of rare earth metals from the red mud

    Science.gov (United States)

    Martoyan, G. A.; Karamyan, G. G.; Vardan, G. A.

    2016-01-01

    The paper outlined the environmental and economic problems associated with red mud - the waste generated in processing of bauxite ore for aluminum production. The chemical analysis of red mud has identified a number of useful elements including rare earth metals. The electromembrane technology of red mud processing with extraction of valuable elements is described. A possible scheme of separation of these metals through electrolysis is also given.

  12. Effect of the nature of alkali and alkaline-earth oxides on the structure and crystallization of an alumino-borosilicate glass developed to immobilize highly concentrated nuclear waste solutions

    International Nuclear Information System (INIS)

    Quintas, A.; Caurant, D.; Majerus, O.; Charpentier, T.; Dussossoy, J.L.

    2008-01-01

    A complex rare-earth rich alumino-borosilicate glass has been proved to be a good candidate for the immobilization of new high level radioactive wastes. A simplified seven-oxides composition of this glass was selected for this study. In this system, sodium and calcium cations were supposed in other works to simulate respectively all the other alkali (R + = Li + , Rb + , Cs + ) and alkaline-earth (R 2+ = Sr 2+ , Ba 2+ ) cations present in the complex glass composition. Moreover, neodymium or lanthanum are used here to simulate all the rare-earths and actinides occurring in waste solutions. In order to study the impact of the nature of R + and R 2+ cations on both glass structure and melt crystallization tendency during cooling, two glass series were prepared by replacing either Na + or Ca 2+ cations in the simplified glass by respectively (Li + , K + , Rb + , Cs + ) or (Mg 2+ , Sr 2+ , Ba 2+ ) cations. From these substitutions, it was established that alkali ions are preferentially involved in the charge compensation of (AlO 4 ) - entities in the glass network comparatively to alkaline-earth ions. The glass compositions containing calcium give way to the crystallization of an apatite silicate phase bearing calcium and rare-earth ions. The melt crystallization tendency during cooling strongly varies with the nature of the alkaline-earth. (authors)

  13. Rare-earth magnets applied to liquid metal flow

    International Nuclear Information System (INIS)

    Borges, E.M.; Sircilli Neto, F.; Passaro, A.

    1996-01-01

    The operation of electromagnetic pumps used to control liquid metal flow are based on the Lorentz force. In this work, it is studied the design of an electromagnetic pump substituting the C-type magnet used in a prototype built previously by Sm Co 5 permanent magnets. The results of the computational simulation indicate that the new pump can develop manometric pressure comparable to the previous prototype and also has smaller dimensions. Magnetic field measurement agreed with the magnetic simulation in the region of interest. (author)

  14. Rare earth zirconium oxide buffer layers on metal substrates

    Science.gov (United States)

    Williams, Robert K.; Paranthaman, Mariappan; Chirayil, Thomas G.; Lee, Dominic F.; Goyal, Amit; Feenstra, Roeland

    2001-01-01

    A laminate article comprises a substrate and a biaxially textured (RE.sub.x A.sub.(1-x)).sub.2 O.sub.2-(x/2) buffer layer over the substrate, wherein 0layer can be deposited using sol-gel or metal-organic decomposition. The laminate article can include a layer of YBCO over the (RE.sub.x A.sub.(1-x)).sub.2 O.sub.2-(x/2) buffer layer. A layer of CeO.sub.2 between the YBCO layer and the (RE.sub.x A.sub.(1-x)).sub.2 O.sub.2-(x/2) buffer layer can also be include. Further included can be a layer of YSZ between the CeO.sub.2 layer and the (RE.sub.x A.sub.(1-x)).sub.2 O.sub.2-(x/2) buffer layer. The substrate can be a biaxially textured metal, such as nickel. A method of forming the laminate article is also disclosed.

  15. Composite nanoparticles containing rare earth metal and methods of preparation thereof

    Energy Technology Data Exchange (ETDEWEB)

    Kandapallil, Binil Itty Ipe; Krishnan, Lakshmi; Johnson, Francis

    2018-04-10

    The present invention is directed to composite nanoparticles comprising a metal, a rare earth element, and, optionally, a complexing ligand. The invention is also directed to composite nanoparticles having a core-shell structure and to processes for preparation of composite nanoparticles of the invention.

  16. Effect of alkaline metal cations on the ionic structure of cryolite melts: Ab-initio NpT MD study

    Science.gov (United States)

    Bučko, Tomáš; Šimko, František

    2018-02-01

    Ab initio molecular dynamics simulations in an NpT ensemble have been performed to study the role of alkaline metal cations (Me = Li, Na, K, Rb) on the structure and vibrational properties of melts of Me-cryolites (Me3AlF6) at T = 1300 K. In all melts examined in this work, the species AlF52 - has been found to be formed at the highest abundance [from 58% (Li) to 70% (Na)] among the Al-containing anionic clusters. The concentration of clusters AlF4- increases with the size of cations while that of anions AlF63 - follows the opposite trend and it becomes negligible in the melts of the K- and Rb-cryolites. The computed percentage of the Al atoms participating in the formation of dimers Al2Fm6 -m bridged via common F atoms is significant only in the case of Li- and Na-cryolites (16% and 10%, respectively) and the formation of even larger aggregates is found to be unlikely in all four melts. The percentage of the F atoms that are not bound to Al is ˜20% in all four melts and the ions formed by Me+ and F- are found to be only short-lived. Vibrational analysis has been performed using the velocity autocorrelation functions computed for the Cartesian and selected internal coordinates describing Raman-active symmetric stretching vibrations of different AlFn species. The results of vibrational analysis allowed us to identify trends in the variation of positions and shapes of peaks corresponding to the anionic fragments AlF4-, AlF52 -, and AlF63 - with the size of cations, and these trends are found to be consistent with those deduced from the available Raman spectroscopy experiments. Our findings represent a new insight into the properties of cryolite melts, which will be useful for the interpretation of experimental data.

  17. Effect of Rare Earth Metals on the Microstructure of Al-Si Based Alloys

    Directory of Open Access Journals (Sweden)

    Saleh A. Alkahtani

    2016-01-01

    Full Text Available The present study was performed on A356 alloy [Al-7 wt %Si 0.0.35 wt %Mg]. To that La and Ce were added individually or combined up to 1.5 wt % each. The results show that these rare earth elements affect only the alloy melting temperature with no marked change in the temperature of Al-Si eutectic precipitation. Additionally, rare earth metals have no modification effect up to 1.5 wt %. In addition, La and Ce tend to react with Sr leading to modification degradation. In order to achieve noticeable modification of eutectic Si particles, the concentration of rare earth metals should exceed 1.5 wt %, which simultaneously results in the precipitation of a fairly large volume fraction of insoluble intermetallics. The precipitation of these complex intermetallics is expected to have a negative effect on the alloy performance.

  18. Selective extraction and recovery of rare earth metals from phosphor powders in waste fluorescent lamps using an ionic liquid system

    International Nuclear Information System (INIS)

    Yang, Fan; Kubota, Fukiko; Baba, Yuzo; Kamiya, Noriho; Goto, Masahiro

    2013-01-01

    Highlights: • Recycling of rare earth metals from fluorescent lamps was conducted by ionic liquid-mediated extraction. • Acid leaching from a waste phosphor powder was carried out using sulfuric and nitric acids. • An ionic liquid was used as extracting solvent for the rare earth metals. • Selective extraction of rare earth metals from leach solutions was attained. •The extracting ionic liquid phase was recyclable in the recovery process. -- Abstract: The recycling of rare earth metals from phosphor powders in waste fluorescent lamps by solvent extraction using ionic liquids was studied. Acid leaching of rare earth metals from the waste phosphor powder was examined first. Yttrium (Y) and europium (Eu) dissolved readily in the acid solution; however, the leaching of other rare earth metals required substantial energy input. Ionization of target rare earth metals from the waste phosphor powders into the leach solution was critical for their successful recovery. As a high temperature was required for the complete leaching of all rare earth metals, ionic liquids, for which vapor pressure is negligible, were used as an alternative extracting phase to the conventional organic diluent. An extractant, N, N-dioctyldiglycol amic acid (DODGAA), which was recently developed, showed a high affinity for rare earth metal ions in liquid–liquid extraction although a conventional commercial phosphonic extractant did not. An effective recovery of the rare earth metals, Y, Eu, La and Ce, from the metal impurities, Fe, Al and Zn, was achieved from the acidic leach solution of phosphor powders using an ionic liquid containing DODGAA as novel extractant system

  19. Electronic and Magnetic Properties of Rare-Earth Metals Doped ZnO Monolayer

    Directory of Open Access Journals (Sweden)

    Changlong Tan

    2015-01-01

    Full Text Available The structural, electronic, and magnetic properties of rare-earth metals doped ZnO monolayer have been investigated using the first-principles calculations. The induced spin polarization is confirmed for Ce, Eu, Gd, and Dy dopings while the induced spin polarization is negligible for Y doping. The localized f states of rare-earth atoms respond to the introduction of a magnetic moment. ZnO monolayer undergoes transition from semiconductor to metal in the presence of Y, Ce, Gd, and Dy doping. More interestingly, Eu doped ZnO monolayer exhibits half-metallic behavior. Our result demonstrates that the RE-doping is an efficient route to modify the magnetic and electronic properties in ZnO monolayer.

  20. Oxidation by hydrogen in the chemistry and physics of the rare-earth metals.

    Science.gov (United States)

    Simon, Arndt

    2012-04-27

    Rare-earth metals (RE) easily react with hydrogen. For decades the bonding of hydrogen has been discussed controversially in terms of either the "proton model" or the "anion model". Detailed investigations of metal-rich compounds of the rare-earth metals provide clear evidence for the incorporation of hydrogen as a hydride anion. Several categories of compounds can be distinguished regarding their behavior towards hydrogen. Low-valence compounds with metal-metal bonding frequently provide their excess electrons to form hydride ions as found with the halide hydrides REXH(n). However, there are exceptions, such as, LaI which does not react with hydrogen as a result of special electronic and electrostatic conditions. The opposite is true with La(2)C(3) although this compound does not provide excess metal valence electrons. An amorphous phase La(2)C(3)H(1.5) forms at very low temperature, around 450 K. The presence of hydrogen strongly influences the electrical and magnetic properties, for example, spin-glass formation and colossal magneto resistance arising in the presence of 4f(n) cores with the lanthanoid elements. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Selective extraction and recovery of rare earth metals from phosphor powders in waste fluorescent lamps using an ionic liquid system.

    Science.gov (United States)

    Yang, Fan; Kubota, Fukiko; Baba, Yuzo; Kamiya, Noriho; Goto, Masahiro

    2013-06-15

    The recycling of rare earth metals from phosphor powders in waste fluorescent lamps by solvent extraction using ionic liquids was studied. Acid leaching of rare earth metals from the waste phosphor powder was examined first. Yttrium (Y) and europium (Eu) dissolved readily in the acid solution; however, the leaching of other rare earth metals required substantial energy input. Ionization of target rare earth metals from the waste phosphor powders into the leach solution was critical for their successful recovery. As a high temperature was required for the complete leaching of all rare earth metals, ionic liquids, for which vapor pressure is negligible, were used as an alternative extracting phase to the conventional organic diluent. An extractant, N, N-dioctyldiglycol amic acid (DODGAA), which was recently developed, showed a high affinity for rare earth metal ions in liquid-liquid extraction although a conventional commercial phosphonic extractant did not. An effective recovery of the rare earth metals, Y, Eu, La and Ce, from the metal impurities, Fe, Al and Zn, was achieved from the acidic leach solution of phosphor powders using an ionic liquid containing DODGAA as novel extractant system. Copyright © 2013 Elsevier B.V. All rights reserved.

  2. Extraction of uranium from alkaline medium by organic extractants

    International Nuclear Information System (INIS)

    El - nadi, Y.A.M.

    1996-01-01

    A recent possible route for treatment of small amounts of neutron irradiated uranium from alkaline medium was addressed. This have some advantages related to the isolation of many troublesome fission products which forms insoluble carbonates or hydroxides upon alkaline carbonate dissolution of uranium oxide. In alkaline solution containing sodium carbonate and hydroxide, hexavalent uranium is expected to be dissolved in solution whereby most of the fission products transition elements exemplified by zirconium and niobium as well as trivalent lanthanides and actinides will be precipitated. Therefore, in this medium the solution will contain mainly alkali and alkaline earth metal such as Cs + and Sr 2+ and anionic fission products such as pertechnetates and antimonates, Which can be easily separted from uranium. Therefore, The present thesis is directed to investigate the following; 1 - solubility of uranium oxide in alkaline medium consists of sodium carbonate and sodium hydroxide in presence of oxidizing agent. 2 - Extraction of uranium from the aforementioned alkaline medium by immiscible organic diluent containing different amine extractants. 3 - Extraction behaviour of uranium by the macroporous anion exchanger, amberlite IRA - 410, from alkaline solution

  3. Transfer of alkaline earth elements in mothers' milk and doses from {sup 45}Ca, {sup 90}Sr and {sup 226}Ra

    Energy Technology Data Exchange (ETDEWEB)

    Smith, T.J.; Phipps, A.W.; Fell, T.P.; Harrison, J.D

    2003-07-01

    An international programme of work is currently under way to develop methods for calculating doses to infants from ingestion of radionuclides present in mothers' milk. This paper considers the special case of the alkaline earth elements. Models have been developed for {sup 45}Ca, {sup 90}Sr and {sup 226}Ra and the sensitivity of results to various changes in parameter values is discussed. A complication when calculating doses from intakes of radium is that the International Commission on Radiological Protection has previously recommended that doses from decay products of radium should be calculated using element-specific biokinetic models (so-called independent biokinetics). An extension of this method to the models for breastfeeding is proposed. Preliminary estimates of the doses received by the infant for a number of maternal intake scenarios show that doses to the infant can exceed the corresponding adult dose, such as for {sup 45}Ca (ratio = 3.1) while, in other cases such as {sup 90}Sr, the infant dose can be a significant fraction of the adult dose. (author)

  4. [High current microsecond pulsed hollow cathode lamp excited ionic fluorescence spectrometry of alkaline earth elements in inductively coupled plasma with a Fassel-torch].

    Science.gov (United States)

    Zhang, Shao-Yu; Gong, Zhen-Bin; Huang, Ben-Li

    2006-02-01

    High current microsecond pulsed hollow cathode lamp (HCMP-HCL) excited ionic fluorescence spectrometry (IFS) of alkaline earth elements in inductively coupled plasma (ICP) with a Fassel-torch has been investigated. In wide condition ranges only IFS was observed, whilst atomic fluorescence spectrometry (AFS) was not detectable. More intense ionic fluorescence signal was observed at lower observation heights and at lower incident RF powers. Without introduction of any reduction organic gases into the ICP, the limit of detection (LOD, 3sigma) of Ba was improved by 50-fold over that of a conventional pulsed (CP) HCL with the Baird sleeve-extended torch. For Ca and Sr, the LODs by HCMP-HCL-ICP-IFS and CP-HCL-ICP-AFS show no significant difference. Relative standard deviations were 0.6%-1.4% (0.1-0.2 microg x mL(-1), n = 10) for 5 ionic fluorescence lines. Preliminary studies showed that the intensity of ionic fluorescence could be depressed in the presence of K, Al and P.

  5. Commercial alkaline earth boroaluminosilicate glasses for sealing solid oxide cell stacks. Part I: Development of glass-ceramic microstructure and thermomechanical properties

    DEFF Research Database (Denmark)

    Agersted, Karsten; Balic-Zunic, Tonci

    2017-01-01

    was developed over ~1000 hours at 800°C, depends mainly on the formation of cristobalite and quartz as well as the presence of a residual glass phase. The glass ceramic sealant appears relatively stable over time, except for a slow transition of cristobalite to quartz, and can possibly show self......Sealing performance in solid oxide cell (SOC) stacks and the devitrification process of commercially available alkaline earth boroaluminosilicate glasses containing 48‐61 mol% SiO2, 18‐28 mol% CaO, 1‐7 mol% MgO, 7‐10 mol% Al2O3, 1‐11 mol% B2O3 plus minor amounts of Na2O, K2O, FeO, and TiO2 were...... investigated and quantified through analysis of phase assemblages as function of heat treatments above the glass transition temperatures using the electron microprobe and powder X‐ray diffraction. For two of these glasses devitrification behavior was compared to the devitrification behavior of similar glasses...

  6. Influence of elevated alkalinity and natural organic matter (NOM) on tissue-specific metal accumulation and reproductive performance in fathead minnows during chronic, multi-trophic exposures to a metal mine effluent.

    Science.gov (United States)

    Ouellet, Jacob D; Dubé, Monique G; Niyogi, Som

    2013-09-01

    Metal bioavailability in aquatic organisms is known to be influenced by various water chemistry parameters. The present study examined the influence of alkalinity and natural organic matter (NOM) on tissue-specific metal accumulation and reproductive performance of fathead minnows (Pimephales promelas) during environmentally relevant chronic exposures to a metal mine effluent (MME). Sodium bicarbonate (NaHCO3) or NOM (as commercial humic acid) were added to a Canadian MME [45 percent process water effluent (PWE)] in order to evaluate whether increases in alkalinity (3-4 fold) or NOM (~1.5-3mg/L dissolved organic carbon) would reduce metal accumulation and mitigate reproductive toxicity in fathead minnows during a 21-day multi-trophic exposure. Eleven metals (barium, boron, cobalt, copper, lithium, manganese, molybdenum, nickel, rubidium, selenium, and strontium) were elevated in the 45 percent PWE relative to the reference water. Exposure to the unmodified 45 percent PWE resulted in a decrease of fathead minnow egg production (~300 fewer eggs/pair) relative to the unmodified reference water, over the 21-day exposure period. Water chemistry modifications produced a modest decrease in free ion activity of some metals (as shown by MINTEQ, Version 3) in the 45 percent PWE exposure water, but did not alter the metal burden in the treatment-matched larval Chironomus dilutus (the food source of fish during exposure). The tissue-specific metal accumulation increased in fish exposed to the 45 percent PWE relative to the reference water, irrespective of water chemistry modifications, and the tissue metal concentrations were found to be similar between fish in the unmodified and modified 45 percent PWE (higher alkalinity or NOM) treatments. Interestingly however, increased alkalinity and NOM markedly improved fish egg production both in the reference water (~500 and ~590 additional eggs/pair, respectively) and 45 percent PWE treatments (~570 and ~260 additional eggs

  7. Recovery of Rare Earth Metals in Used Magnets by Molten Magnesium

    Science.gov (United States)

    Akahori, Tomohiko; Miyamoto, Yu; Saeki, Tomonori; Okamoto, Masahide; Okabe, Toru H.

    We report here Hitachi's approach to recycle rare earth (RE) metals in used magnets by using molten magnesium (Mg). The process consists of 3 steps; (1) extraction of RE metals from magnets into molten Mg, to form Mg-RE melt, (2) mechanical separation of magnets from the Mg-RE melt, (3) collection of RE metals by evaporation of Mg in the Mg-RE melt. In the step 1, extraction of RE metals proceeds rapidly and completes in about 3 h. The efficiency strongly depends on the temperature (T) and Mg/magnet ratio (r)). One of the optimal conditions is T=1273 (K) and η is 10, where the efficiencies for Nd and Dy extraction are almost 100 % and 60 %, respectively. Further increase of Dy extraction efficiency is possible by addition of Ca to suppress the oxidation of Dy.

  8. Water oxidation using earth-abundant transition metal catalysts: opportunities and challenges.

    Science.gov (United States)

    Kärkäs, Markus D; Åkermark, Björn

    2016-10-07

    Catalysts for the oxidation of H2O are an integral component of solar energy to fuel conversion technologies. Although catalysts based on scarce and precious metals have been recognized as efficient catalysts for H2O oxidation, catalysts composed of inexpensive and earth-abundant element(s) are essential for realizing economically viable energy conversion technologies. This Perspective summarizes recent advances in the field of designing homogeneous water oxidation catalysts (WOCs) based on Mn, Fe, Co and Cu. It reviews the state of the art catalysts, provides insight into their catalytic mechanisms and discusses future challenges in designing bioinspired catalysts based on earth-abundant metals for the oxidation of H2O.

  9. Formation of an integrated holding company to produce rare-earth metal articles

    Science.gov (United States)

    Bogdanov, S. V.; Grishaev, S. I.

    2013-12-01

    The possibility of formation of a Russian holding company for the production of rare-earth metal articles under conditions of its increasing demand on the world market is considered. It is reasonable to ensure stable business operation on the market under conditions of state-private partnership after the fraction of soled products is determined and supported by the competitive advantages of Russian products.

  10. No Giant Two-Ion Anisotropy in the Heavy-Rare-Earth Metals

    DEFF Research Database (Denmark)

    Lindgård, Per-Anker

    1976-01-01

    A new Bose-operator expansion of tensor operators is applied to the heavy-rare-earth metals. The Er data for the cone phase have been analyzed successfully with single-ion anisotropy and isotropic exchange interaction. The Tb data can be understood on the same basis. The previously found large two......-ion anisotropy was due to an inadequate treatment of the large single-ion anisotropy leading to an incorrect expression for the spin-wave energy....

  11. Optimization of film synthesized rare earth transition metal permanent magnet systems

    International Nuclear Information System (INIS)

    Cadieu, F.J.

    1992-01-01

    Progress is reported in three areas: high coercivity Sm-Fe-Ti-V, Sm-Fe-Zr, and two element Sm-Fe Sm 5 (Fe,T) 17 type crystalline phases; ThMn 12 type pseudobinary SmFe 12-x T x (0≤x≤1.5); and sputter process control for the synthesis of precisely textured rare earth-transition metal magnetic films

  12. THE INFLUENCE OF ANION NATURE OF ALKALINE METAL SALT ON SPECTRAL-LUMINESCENT PROPERTIES OF F-S-HETERONUCLEAR COMPLEXES ON THE BASE OF CROWN-PORPHYRINS

    Directory of Open Access Journals (Sweden)

    N. V. Rusakova

    2016-04-01

    Full Text Available The heteronuclear complexes on the base of meso-tetra-crown-ether substituted porphyrins of «sandwich»-type which two ytterbium ions coordinated with porphyrin macrocycles, and four cations of alkaline metals (Na, K, Cs situated between the cavities of benzo-12-crown-4-, benzo-15-crown-5- and benzo-18-crown-6-ethers, respectively, were obtained. The influence of anion nature of salts (bromide, nitrate, thiocyanate on 4f-luminescence of Yb8+ ions in these complexes were analyzed.

  13. Production of aluminum metal by electrolysis of aluminum sulfide

    Science.gov (United States)

    Minh, N.Q.; Loutfy, R.O.; Yao, N.P.

    1982-04-01

    Metallic aluminum may be produced by the electrolysis of Al/sub 2/S/sub 3/ at 700 to 800/sup 0/C in a chloride melt composed of one or more alkali metal chlorides, and one or more alkaline earth metal chlorides and/or aluminum chloride to provide improved operating characteristics of the process.

  14. CPA theory of the magnetization in rare earth transition metal alloys

    International Nuclear Information System (INIS)

    Szpunar, B.; Lindgaard, P.A.

    1976-11-01

    Calculations were made of the magnetic moment per atom of the transition metal and the rare earth metal in the intermetallic compounds, Gdsub(1-x)Nisub(x), Gdsub(1-x)Fesub(x), Gdsub(1-x)Cosub(x), and Ysub(1-x)Cosub(x). A simple model of the disordered alloy consisting of spins localized on the rare earth atoms and interacting with a narrow d-band is considered. The magnetic moment of the alloy at zero temperature is calculated within the molecular field and Hartree-Fock approximations. Disorder is treated in the coherent potential approximation. Results are in good agreement with the experimental data obtained for the crystalline and amorphous intermetallic compounds. It is shown that the temperature dependence of the magnetic moments and Curie and ferrimagnetic compensation temperatures can be accounted for by a simple model assuming a RKKY interaction between the rare-earth moments and the transition metal pseudo spin. The interaction is mediated by an effective alloy medium calculated using the CPA theory and elliptic densities of states. (Auth.)

  15. Effect of the nature of alkali and alkaline-earth oxides on the structure and crystallization of an alumino-borosilicate glass developed to immobilize highly concentrated nuclear waste solutions

    Energy Technology Data Exchange (ETDEWEB)

    Quintas, A.; Caurant, D.; Majerus, O. [Laboratoire de Chimie de la Matiere Condensee de Paris (UMR 7574), Ecole Nationale Superieure de Chimie de Paris - ENSCP, ParisTech, Paris, 75005 (France); Charpentier, T. [CEA Saclay, Laboratoire de Structure et Dynamique par Resonance Magnetique, DSM/DRECAM/SCM - CEA CNRS URA 331, Gif-sur-Yvette, 91191 (France); Dussossoy, J.L. [Laboratoire d' Etude de Base sur les Verres, CEA Valrho, DEN/DTCD/SCDV/LEBV, Bagnols-sur-Ceze, 30207 (France)

    2008-07-01

    A complex rare-earth rich alumino-borosilicate glass has been proved to be a good candidate for the immobilization of new high level radioactive wastes. A simplified seven-oxides composition of this glass was selected for this study. In this system, sodium and calcium cations were supposed in other works to simulate respectively all the other alkali (R{sup +} = Li{sup +}, Rb{sup +}, Cs{sup +}) and alkaline-earth (R{sup 2+} = Sr{sup 2+}, Ba{sup 2+}) cations present in the complex glass composition. Moreover, neodymium or lanthanum are used here to simulate all the rare-earths and actinides occurring in waste solutions. In order to study the impact of the nature of R{sup +} and R{sup 2+} cations on both glass structure and melt crystallization tendency during cooling, two glass series were prepared by replacing either Na{sup +} or Ca{sup 2+} cations in the simplified glass by respectively (Li{sup +}, K{sup +}, Rb{sup +}, Cs{sup +}) or (Mg{sup 2+}, Sr{sup 2+}, Ba{sup 2+}) cations. From these substitutions, it was established that alkali ions are preferentially involved in the charge compensation of (AlO{sub 4}){sup -} entities in the glass network comparatively to alkaline-earth ions. The glass compositions containing calcium give way to the crystallization of an apatite silicate phase bearing calcium and rare-earth ions. The melt crystallization tendency during cooling strongly varies with the nature of the alkaline-earth. (authors)

  16. Metal-silicate Partitioning and Its Role in Core Formation and Composition on Super-Earths

    Energy Technology Data Exchange (ETDEWEB)

    Schaefer, Laura; Petaev, M. I.; Sasselov, Dimitar D. [Harvard-Smithsonian Center for Astrophysics, 60 Garden St., Cambridge, MA 02138 (United States); Jacobsen, Stein B.; Remo, John L., E-mail: lschaefer@asu.edu [Harvard University, Department of Earth and Planetary Sciences, 20 Oxford St., Cambridge, MA 02138 (United States)

    2017-02-01

    We use a thermodynamic framework for silicate-metal partitioning to determine the possible compositions of metallic cores on super-Earths. We compare results using literature values of the partition coefficients of Si and Ni, as well as new partition coefficients calculated using results from laser shock-induced melting of powdered metal-dunite targets at pressures up to 276 GPa, which approaches those found within the deep mantles of super-Earths. We find that larger planets may have little to no light elements in their cores because the Si partition coefficient decreases at high pressures. The planet mass at which this occurs will depend on the metal-silicate equilibration depth. We also extrapolate the equations of state (EOS) of FeO and FeSi alloys to high pressures, and present mass–radius diagrams using self-consistent planet compositions assuming equilibrated mantles and cores. We confirm the results of previous studies that the distribution of elements between mantle and core will not be detectable from mass and radius measurements alone. While observations may be insensitive to interior structure, further modeling is sensitive to compositionally dependent properties, such as mantle viscosity and core freeze-out properties. We therefore emphasize the need for additional high pressure measurements of partitioning as well as EOSs, and highlight the utility of the Sandia Z-facilities for this type of work.

  17. Interactions of nucleobases with alkali earth metal cations--electrospray ionization mass spectrometric study.

    Science.gov (United States)

    Frańska, Magdalena

    2007-01-01

    Interactions of nucleobases with alkali earth metal cations have been studied by electrospray ionization mass spectrometry (ESI-MS). Nucleobases containing at least one oxygen atom form stable complexes with alkali earth metal cations. This phenomenon can be explained on the grounds of the well known theory of hard and soft acids and bases. Uracil and thymine make complexes only when in their deprotonoted forms. The cations of great radii (Sr(2+), Ba(2+)) are more prone to form complexes of stoichiometry 1:1 with uracil and thymine than the cations of small radii (Mg(2+), Ca(2+)). On the other hand, Mg(2+) forms complexes of stoichiometry 2:1 and 3:2 with uracil and thymine. Gas-phase stabilities of the 1:1 complexes are higher for the cations of small radii, in contrast to the solution stabilities. For cytosine and 9- methylhypoxantine the 1:1 complexes of their deprotonated forms are observed at higher cone voltage as a result of HCl molecule loss from the complexes containing the counter ion (Cl(-)). In solution, more stable complexes are formed with metal cations of low radii. Gas-phase stability of the complexes formed by deprotonated 9- methyl-hypoxantine increases with increasing metal cation radius.

  18. Rare earth elements and critical metal content of extracted landfilled material and potential recovery opportunities.

    Science.gov (United States)

    Gutiérrez-Gutiérrez, Silvia C; Coulon, Frédéric; Jiang, Ying; Wagland, Stuart

    2015-08-01

    Rare earth elements (REEs), Platinum group metals (PGMs) and other critical metals currently attract significant interest due to the high risks of supply shortage and substantial impact on the economy. Their uses in many applications have made them present in municipal solid waste (MSW) and in commercial and industrial waste (C&I), since several industrial processes produce by-products with high content of these metals. With over 4000 landfills in the UK alone, the aim of this study was to assess the existence of these critical metals within landfills. Samples collected from four closed landfills in UK were subjected to a two-step acid digestion to extract 27 metals of interest. Concentrations across the four landfill sites were 58±6mgkg(-1) for REEs comprising 44±8mgkg(-1) for light REEs, 11±2mgkg(-1) for heavy REEs and 3±1mgkg(-1) for Scandium (Sc) and 3±1.0mgkg(-1) of PGMs. Compared to the typical concentration in ores, these concentrations are too low to achieve a commercially viable extraction. However, content of other highly valuable metals (Al and Cu) was found in concentrations equating to a combined value across the four landfills of around $400 million, which increases the economic viability of landfill mining. Presence of critical metals will mainly depend on the type of waste that was buried but the recovery of these metals through landfill mining is possible and is economically feasible only if additional materials (plastics, paper, metallic items and other) are also recovered for reprocessing. Copyright © 2015 Elsevier Ltd. All rights reserved.

  19. Modification of Non-Metallic Inclusions by Rare-Earth Elements in Microalloyed Steels

    Directory of Open Access Journals (Sweden)

    M. Opiela

    2012-04-01

    Full Text Available The modification of the chemical composition of non-metallic inclusions by rare-earth elements in the new-developed microalloyed steels was discussed in the paper. The investigated steels are assigned to production of forged elements by thermo- mechanical treatment. The steels were melted in a vaccum induction furnace and modification of non-metallic inclusions was carried out by the michmetal in the amount of 2.0 g per 1 kg of steel. It was found that using material charge of high purity and a realization of metallurgical process in vacuous conditions result in a low concentration of sulfur (0.004%, phosphorus (from 0.006 to 0.008% and oxygen (6 ppm. The high metallurgical purity is confirmed by a small fraction of non-metallic inclusions averaging 0.075%. A large majority of non-metallic inclusions are fine, globular oxide-sulfide or sulfide particles with a mean size 17m2. The chemical composition and morphology of non-metallic inclusions was modified by Ce, La and Nd, what results a small deformability of non- metallic inclusions during hot-working.

  20. How Does Boiling in the Earth's Crust Influence Metal Speciation and Transport?

    Science.gov (United States)

    Kam, K.; Lemke, K.

    2014-12-01

    The presence of large quantities of precious metals, such as gold and copper, near the Earth's surface (upper crust) is commonly attributed to transport in aqueous solution and precipitation upon variations in temperature and pressure. As a consequence, gold exploration is closely linked to solution chemistry, i.e. hydrothermal processes involving aqueous fluids with densities of around unity. However, as crustal fluids buoyantly ascend, boiling produces a coexisting low-density aqueous liquid with fundamentally different physical and chemical properties, and a, most importantly, a high affinity for coinage metals (Heinrich et al., Econ Geol., 1992, 87, 1566). From recent experimental studies of Au (Hurtig and Williams-Jones, 2014, Geochim. Cosmochim. Acta,, 127, 304), we know that metal speciation in this low-density phase differs fundamentally from that observed in bulk solution, clearly, with important implications for Au, and metal speciation in general, transport and ore concentrations processes (these processes would also be operable in industrial geothermal plants given the quite special solvent properties of steam). In brief, this study focuses on the speciation of select metal halides in bulk solution as well as in water vapor, and is driven by our need to understand the solvent properties of around 2.0x109 cubic kilometers of free water (or 2,500 times as much water as stored in all lakes and rivers) present in the Earth's crust. The scope of this study has particular applications in the geothermal and oil industries, as both deal with high temperature low-density aqueous fluids. Understanding how metal halide species behave upon boiling can also provide insight into how metals, such as copper and silver, coat turbine equipment and steam piping in geothermal plants, ultimately rendering these components inoperable. This study will also provide preliminary results from mass spectrometric experiments of transition metal halides, and will be augmented with

  1. Electrochemical Extraction of Rare Earth Metals in Molten Fluorides : Conversion of Rare Earth Oxides into Rare Earth Fluorides Using Fluoride Additives

    NARCIS (Netherlands)

    Abbasalizadeh, A.; Malfliet, Annelies; Seetharaman, Seshadri; Sietsma, J.; Yang, Y.

    2017-01-01

    In the present research on rare earth extraction from rare earth oxides (REOs), conversion of rare earth oxides into rare earth fluorides with fluoride fluxes is investigated in order to overcome the problem of low solubility of the rare earth oxides in molten fluoride salts as well as the formation

  2. Use of the ion exchange method for the determination of stability constants of trivalent metal complexes with humic and fulvic acids II. Tb3+, Yb3+ and Gd3+ complexes in weakly alkaline conditions

    International Nuclear Information System (INIS)

    Dong Wenming; Li Weijuan; Tao Zuyi

    2002-01-01

    The conditional stability constants for tracer concentrations of Tb(III), Yb(III), and Gd(III) with three soil humic acids, three soil fulvic acids and a fulvic acid from weathered coal were determined at pH 9.0-9.1 (these values are similar to those in calcareous soils) in the presence of NaHCO 3 by using the anion exchange method. It was found that 1 : 1 and 1 : 2 complexes were simultaneously formed in the weakly alkaline conditions. The conditional stability constants of these 1 : 1 and 1 : 2 complexes were calculated from the distribution coefficients of rare earth elements at various concentrations of humate or fulvate. The stability constants indicate the very high stability of trivalent Tb 3+ , Yb 3+ and Gd 3+ complexes with humic substances in weakly alkaline conditions. The key parameters necessary for the experimental determination of the conditional stability constants of metal ions with humic substances in the presence of NaHCO 3 by using an anion exchange method were discussed. The conditional stability constants of these 1 : 1 and 1 : 2 complexes were compared in this paper. It was found that stabilities of Tb 3+ 1 : 1 and 1 : 2 complexes with humic acid are greater than the corresponding ones with fulvic acid from the same soil. In addition, the effect of the presence of Ca 2+ as a competitor on the stabilities of 1 : 1 and 1 : 2 complexes of Yb was examined and no pronounced change of stabilities of 1 : 1 complex was found, even though Ca 2+ is in a 10 3 excess to Yb 3+

  3. The introduction to the chemistry of second-sphere complexes of metals in solutions

    International Nuclear Information System (INIS)

    Mironov, V.E.; Isaev, I.D.

    1986-01-01

    Investigation data on the chemistry of second-sphere complexes of metal ions (alkali, alkaline earth, transition, rare earth and other metals) in solutions are generalized. Modern representations about the processes of their formation, investigation methods, thermodynamics, structure, the nature of forces to form them are described. Perspectives of the development of the chemistry of second-sphere complexes in solutions are given

  4. Rare-earth transition-metal intermetallics: Structure-bonding-property relationships

    Energy Technology Data Exchange (ETDEWEB)

    Han, M. K. [Iowa State Univ., Ames, IA (United States)

    2006-01-01

    The explorations of rare-earth, transition metal intermetallics have resulted in the synthesis and characterization, and electronic structure investigation, as well as understanding the structure-bonding property relationships. The work has presented the following results: (1) Understanding the relationship between compositions and properties in LaFe13-xSix system: A detailed structural and theoretical investigation provided the understanding of the role of a third element on stabilizing the structure and controlling the transformation of cubic NaZn{sub 13}-type structures to the tetragonal derivative, as well as the relationship between the structures and properties. (2) Synthesis of new ternary rare-earth iron silicides Re2-xFe4Si14-y and proposed superstructure: This compound offers complex structural challenges such as fractional occupancies and their ordering in superstructure. (3) Electronic structure calculation of FeSi2: This shows that the metal-semiconductor phase transition depends on the structure. The mechanism of band gap opening is described in terms of bonding and structural distortion. This result shows that the electronic structure calculations are an essential tool for understanding the relationship between structure and chemical bonding in these compounds. (4) Synthesis of new ternary rare-earth Zinc aluminides Tb3Zn3.6Al7.4: Partially ordered structure of Tb3Zn3.6Al7.4 compound provides new insights into the formation, composition and structure of rare-earth transition-metal intermetallics. Electronic structure calculations attribute the observed composition to optimizing metal-metal bonding in the electronegative (Zn, Al) framework, while the specific ordering is strongly influenced by specific orbital interactions. (5) Synthesis of new structure type of Zn39(CrxAl1-x)81

  5. Rare-Earth Transition-Metal Intermetallics: Structure-bonding-Property Relationships

    Energy Technology Data Exchange (ETDEWEB)

    Han, Mi-Kyung [Iowa State Univ., Ames, IA (United States)

    2006-01-01

    Our explorations of rare-earth, transition metal intermetallics have resulted in the synthesis and characterization, and electronic structure investigation, as well as understanding the structure-bonding-property relationships. Our work has presented the following results: (1) Understanding the relationship between compositions and properties in LaFe13-xSix system: A detailed structural and theoretical investigation provided the understanding of the role of a third element on stabilizing the structure and controlling the transformation of cubic NaZn13-type structures to the tetragonal derivative, as well as the relationship between the structures and properties. (2) Synthesis of new ternary rare-earth iron silicides RE2-xFe4Si14-y and proposed superstructure: This compound offers complex structural challenges such as fractional occupancies and their ordering in superstructure. (3) Electronic structure calculation of FeSi2: This shows that the metal-semiconductor phase transition depends on the structure. The mechanism of band gap opening is described in terms of bonding and structural distortion. This result shows that the electronic structure calculations are an essential tool for understanding the relationship between structure and chemical bonding in these compounds. (4) Synthesis of new ternary rare-earth Zinc aluminides Tb3Zn3.6Al7.4: Partially ordered structure of Tb3.6Zn13-xAl7.4 compound provides new insights into the formation, composition and structure of rare-earth transition-metal intermetallics. Electronic structure calculations attribute the observed composition to optimizing metal-metal bonding in the electronegative (Zn, Al) framework, while the specific ordering is strongly influenced by specific orbital interactions. (5) Synthesis of new structure type of Zn39(CrxAl1-x

  6. Development of a capillary electrophoresis method for the analysis in alkaline media as polyoxoanions of two strategic metals: Niobium and tantalum.

    Science.gov (United States)

    Deblonde, Gauthier J-P; Chagnes, Alexandre; Cote, Gérard; Vial, Jérôme; Rivals, Isabelle; Delaunay, Nathalie

    2016-03-11

    Tantalum (Ta) and niobium (Nb) are two strategic metals essential to several key sectors, like the aerospace, gas and oil, nuclear and electronic industries, but their separation is really difficult due to their almost identical chemical properties. Whereas they are currently produced by hydrometallurgical processes using fluoride-based solutions, efforts are being made to develop cleaner processes by replacing the fluoride media by alkaline ones. However, methods to analyze Nb and Ta simultaneously in alkaline samples are lacking. In this work, we developed a capillary zone electrophoresis (CE) method able to separate and quantify Nb and Ta directly in alkaline media. This method takes advantage of the hexaniobate and hexatantalate ions which are naturally formed at pH>9 and absorb in the UV domain. First, the detection conditions, the background electrolyte (BGE) pH, the nature of the BGE co-ion and the internal standard (IS) were optimized by a systematic approach. As the BGE counter-ion nature modified the speciation of both ions, sodium- and lithium-based BGE were tested. For each alkaline cation, the BGE ionic strength and separation temperature were optimized using experimental designs. Since changes in the migration order of IS, Nb and Ta were observed within the experimental domain, the resolution was not a monotonic function of ionic strength and separation temperature. This forced us to develop an original data treatment for the prediction of the optimum separation conditions. Depending on the consideration of either peak widths or peak symmetries, with or without additional robustness constraints, four optima were predicted for each tested alkaline cation. The eight predicted optima were tested experimentally and the best experimental optimum was selected considering analysis time, resolution and robustness. The best separation was obtained at 31.0°C and in a BGE containing 10mM LiOH and 35mM LiCH3COO.The separation voltage was finally optimized

  7. Effects of Rare Earth Metal Addition on Wear Resistance of Chromium-Molybdenum Cast Steel

    Directory of Open Access Journals (Sweden)

    Kasinska J.

    2017-09-01

    Full Text Available This paper discusses changes in the microstructure and abrasive wear resistance of G17CrMo5-5 cast steel modified with rare earth metals (REM. The changes were assessed using scanning microscopy. The wear response was determined in the Miller test to ASTM G75. Abrasion tests were supplemented with the surface profile measurements of non-modified and modified cast steel using a Talysurf CCI optical profilometer. It was demonstrated that the modification substantially affected the microstructure of the alloy, leading to grain size reduction and changed morphology of non-metallic inclusions. The observed changes in the microstructure resulted in a three times higher impact strength (from 33 to 99 kJ/cm2 and more than two times higher resistance to cracking (from 116 to 250 MPa. The following surface parameters were computed: Sa: Arithmetic mean deviation of the surface, Sq: Root-mean-square deviation of the surface, Sp: Maximum height of the peak Sv: Maximum depth of the valley, Sz: Ten Point Average, Ssk: Asymmetry of the surface, Sku: Kurtosis of the surface. The findings also indicated that the addition of rare earth metals had a positive effect on the abrasion behaviour of G17CrMo5-5 cast steel.

  8. Structurally triggered metal-insulator transition in rare-earth nickelates.

    Science.gov (United States)

    Mercy, Alain; Bieder, Jordan; Íñiguez, Jorge; Ghosez, Philippe

    2017-11-22

    Rare-earth nickelates form an intriguing series of correlated perovskite oxides. Apart from LaNiO 3 , they exhibit on cooling a sharp metal-insulator electronic phase transition, a concurrent structural phase transition, and a magnetic phase transition toward an unusual antiferromagnetic spin order. Appealing for various applications, full exploitation of these compounds is still hampered by the lack of global understanding of the interplay between their electronic, structural, and magnetic properties. Here we show from first-principles calculations that the metal-insulator transition of nickelates arises from the softening of an oxygen-breathing distortion, structurally triggered by oxygen-octahedra rotation motions. The origin of such a rare triggered mechanism is traced back in their electronic and magnetic properties, providing a united picture. We further develop a Landau model accounting for the metal-insulator transition evolution in terms of the rare-earth cations and rationalizing how to tune this transition by acting on oxygen rotation motions.

  9. Application of Freeze-Dried Powders of Genetically Engineered Microbial Strains as Adsorbents for Rare Earth Metal Ions.

    Science.gov (United States)

    Moriwaki, Hiroshi; Masuda, Reiko; Yamazaki, Yuki; Horiuchi, Kaoru; Miyashita, Mari; Kasahara, Jun; Tanaka, Tatsuhito; Yamamoto, Hiroki

    2016-10-12

    The adsorption behaviors of the rare earth metal ions onto freeze-dried powders of genetically engineered microbial strains were compared. Cell powders obtained from four kinds of strains, Bacillus subtilis 168 wild type (WT), lipoteichoic acid-defective (ΔLTA), wall teichoic acid-defective (ΔWTA), and cell wall hydrolases-defective (EFKYOJLp) strains, were used as an adsorbent of the rare earth metal ions at pH 3. The adsorption ability of the rare earth metal ions was in the order of EFKYOJLp > WT > ΔLTA > ΔWTA. The order was the same as the order of the phosphorus quantity of the strains. This result indicates that the main adsorption sites for the ions are the phosphate groups and the teichoic acids, LTA and WTA, that contribute to the adsorption of the rare earth metal ions onto the cell walls. The contribution of WTA was clearly greater than that of LTA. Each microbial powder was added to a solution containing 16 kinds of rare earth metal ions, and the removals (%) of each rare earth metal ion were obtained. The scandium ion showed the highest removal (%), while that of the lanthanum ion was the lowest for all the microbial powders. Differences in the distribution coefficients between the kinds of lanthanide ions by the EFKYOJLp and ΔWTA powders were greater than those of the other strains. Therefore, the EFKYOJLp and ΔWTA powders could be applicable for the selective extraction of the lanthanide ions. The ΔLTA powder coagulated by mixing with a rare earth metal ion, although no sedimentation of the WT or ΔWTA powder with a rare earth metal ion was observed under the same conditions. The EFKYOJLp powder was also coagulated, but its flocculating activity was lower than that of ΔLTA. The ΔLTA and EFKYOJLp powders have a long shape compared to those of the WT or ΔWTA strain. The shapes of the cells will play an important role in the sedimentation of the microbial powders with rare earth metal ions. As the results, three kinds of the genetically

  10. First-principles study of the alkali earth metal atoms adsorption on graphene

    Science.gov (United States)

    Sun, Minglei; Tang, Wencheng; Ren, Qingqiang; Wang, Sake; JinYu; Du, Yanhui; Zhang, Yajun

    2015-11-01

    Geometries, electronic structures, and magnetic properties for alkali earth metal atoms absorbed graphene have been studied by first-principle calculations. For Be and Mg atoms, the interactions between the adatom and graphene are weak van der Waals interactions. In comparison, Ca, Sr and Ba atoms adsorption on graphene exhibits strong ionic bonding with graphene. We found that these atoms bond to graphene at the hollow site with a significant binding energy and large electron transfer. It is intriguing that these adatoms may induce important changes in both the electronic and magnetic properties of graphene. Semimetal graphene becomes metallic and magnetic due to n-type doping. Detailed analysis shows that the s orbitals of these adatoms should be responsible for the arising of the magnetic moment. We believe that our results are suitable for experimental exploration and useful for graphene-based nanoelectronic and data storage.

  11. Anomalous positive flatband voltage shifts in metal gate stacks containing rare-earth oxide capping layers

    KAUST Repository

    Caraveo-Frescas, J. A.

    2012-03-09

    It is shown that the well-known negative flatband voltage (VFB) shift, induced by rare-earth oxide capping in metal gate stacks, can be completely reversed in the absence of the silicon overlayer. Using TaN metal gates and Gd2O3-doped dielectric, we measure a ∼350 mV negative shift with the Si overlayer present and a ∼110 mV positive shift with the Si overlayer removed. This effect is correlated to a positive change in the average electrostatic potential at the TaN/dielectric interface which originates from an interfacial dipole. The dipole is created by the replacement of interfacial oxygen atoms in the HfO2 lattice with nitrogen atoms from TaN.

  12. Chemical composition of modern and fossil hippopotamid teeth and implications for paleoenvironmental reconstructions and enamel formation - Part 2: Alkaline earth elements as tracers of watershed hydrochemistry and provenance

    Science.gov (United States)

    Brügmann, G.; Krause, J.; Brachert, T. C.; Stoll, B.; Weis, U.; Kullmer, O.; Ssemmanda, I.; Mertz, D. F.

    2012-11-01

    This study demonstrates that alkaline earth elements in enamel of hippopotamids, in particular Ba and Sr, are tracers for water provenance and hydrochemistry in terrestrial settings. The studied specimens are permanent premolar and molar teeth found in modern and fossil lacustrine sediments of the Western Branch of the East African Rift system (Lake Kikorongo, Lake Albert, and Lake Malawi) and from modern fluvial environments of the Nile River. Concentrations in enamel vary by two orders of magnitude for Ba (120-9336 μg g-1) as well as for Sr (9-2150 μg g-1). The variations are partially induced during post-mortem alteration and during amelogenesis, but the major contribution originates ultimately from the variable water chemistry in the habitats of the hippopotamids which is controlled by the lithologies and weathering processes in the watershed areas. Amelogenesis causes a distinct distribution of MgO, Ba and Sr in modern and fossil enamel, in that element concentrations increase along profiles from the outer rim towards the enamel-dentin junction by a factor of 1.3-1.9. These elements are well correlated in single specimens, thus suggesting that their distribution is determined by a common, single process, which can be described by closed system Rayleigh crystallization of bioapatite in vivo. Enamel from most hippopotamid specimens has Sr/Ca and Ba/Ca which are typical for herbivores. However, Ba/Sr ranges from 0.1 to 3 and varies on spatial and temporal scales. Thus, Sr concentrations and Ba/Sr in enamel differentiate between habitats having basaltic mantle rocks or Archean crustal rocks as the ultimate sources of Sr and Ba. This provenance signal is modulated by climate change. In Miocene to Pleistocene enamel from the Lake Albert region, Ba/Sr decreases systematically with time from 2 to 0.5. This trend can be correlated with changes in climate from humid to arid, in vegetation from C3 to C4 biomass as well as with increasing evaporation of the lake water

  13. Earth

    CERN Document Server

    Carter, Jason

    2017-01-01

    This curriculum-based, easy-to-follow book teaches young readers about Earth as one of the eight planets in our solar system in astronomical terms. With accessible text, it provides the fundamental information any student needs to begin their studies in astronomy, such as how Earth spins and revolves around the Sun, why it's uniquely suitable for life, its physical features, atmosphere, biosphere, moon, its past, future, and more. To enhance the learning experience, many of the images come directly from NASA. This straightforward title offers the fundamental information any student needs to sp

  14. The effects of alkaline dosage and Si/Al ratio on the immobilization of heavy metals in municipal solid waste incineration fly ash-based geopolymer.

    Science.gov (United States)

    Zheng, Lei; Wang, Wei; Shi, Yunchun

    2010-04-01

    The present research explored the application of geopolymerization for the immobilization and solidification of municipal solid waste incineration (MSWI) fly ash. The influence of alkaline activator dosage and Si/Al molar ratio on the compressive strength and microstructure of MSWI fly ash-based geopolymer was investigated. A geopolymer with the highest strength was identified to occur at an intermediate alkaline activator dosage and Si/Al ratio, and the optimal Na/MSWI fly ash and Si/Al molar ratio was close to 2.8 mol kg(-1) and 2.0, respectively. IR spectra showed that higher alkaline activator dosage enhanced the structural disruption of the original aluminosilicate phases and a higher degree of polymerization of the geopolymer networks. At low Si/Al ratio, there was an increasing number of tetrahedral Al incorporating into the silicate backbone. As the Na/MSWI fly ash ratio increased, the microstructure changed from containing large macropores to more mesopores and micropores, indicating that more geopolymers are formed. Furthermore, the pore volume distribution of geopolymers was observed to shift to larger pores as the Si/Al ratio increased, which suggests that the soluble silicon content serves to reduce the amount of geopolymers. Heavy metal leaching was successfully elucidated using the first-order reaction/reaction-diffusion model. Combining the results from the microstructure of samples with the kinetic analysis, the immobilization mechanism of Cr, Cu, and Zn was inferred in this study. The methodologies described could provide a powerful set of tools for the systematic evaluation of element release from geopolymers. 2010 Elsevier Ltd. All rights reserved.

  15. Modification of radiation sensitivity by salts of the metals beryllium and indium and the rare earths cerium, lanthanum and scandium

    International Nuclear Information System (INIS)

    Floersheim, G.L.

    1995-01-01

    The LD 50 of 46 salts of metals and rare earths (lanthanoids) was determined in mice. Half the LD 50 of the compounds was then combined with lethal radiation (10.5 Gy) and the modification of survival time was scored. Only the metals beryllium and indium and the rare earths cerium, lanthanum and scandium displayed activity in our assay. There were then tested at a wider range of lower doses and reduced survival time in a dose-dependent fashion. This appears to be compatible with enhancement of radiation sensitivity. The interaction of these metals and rare earths with radiation adds a new facet to their toxicological spectrum and, by enhancing radiation effects, may influence estimates of risk. On the other hand, radiosensitizing properties of the metals may be useful for further development of compounds to be used as adjuncts in specific situations of cancer radiotherapy. 31 refs., 1 fig., 1 tab

  16. Rare earth metals in North America; Zeldzame aardmetalen in Noord-Amerika

    Energy Technology Data Exchange (ETDEWEB)

    Louzada, K.

    2012-11-15

    The uncertain supply of rare earth metals (Rare Earth Elements) from China for the high tech industry in the U.S. is a barrier for innovation and the high-tech manufacturing industry. Many rare earths are applied in permanent magnets for sustainable energy generation and for energy storage systems in for example electric cars. Also other sectors feel the pressure of shortages. The federal government in the USA and US companies use the opportunity to encourage research into recycling, reducing the use and finding alternatives for rare earths. Canada sees in the uncertain supply and dwindling reserves in the USA and elsewhere an economic opportunity. Canada can start the development of hitherto unprofitable reserves of valuable materials. Both in the USA and Canada, the number of exploration projects in the mining industry has grown significantly [Dutch] De onzekere aanvoer van zeldzame aardmetalen (Rare Earth Elements) uit China voor de hightechindustrie vormt in de VS een hindernis voor innovatie en voor de hightech maakindustrie. Met name in permanente magneten voor duurzame energieopwekking en energieopslagsystemen voor bijvoorbeeld elektrische auto's worden veel zeldzame aardmetalen verwerkt. Ook andere sectoren staan onder druk. De federale overheid en bedrijven in de VS maken van de gelegenheid gebruik om onderzoek naar de recycling, vermindering van het gebruik en alternatieven voor zeldzame aardmetalen te stimuleren. Canada ziet de onzekere aanvoer en slinkende reserves in de VS en elders als een economische kans. Het land kan tot nu toe onrendabele voorkomens van de waardevolle materialen gaan ontwikkelen. Zowel in de VS als in Canada is het aantal exploratieprojecten in de mijnbouw aanzienlijk gegroeid.

  17. Complexation of trichlorosalicylic acids by alkaline and first row transition metals as a switch for their antibacterial activity

    KAUST Repository

    Kumar, Vijay

    2017-09-14

    3,5,6-trichlorosalicylic acid (TCSA) does not show a good antibacterial activity. In contrast, here metal complexes with TCSA have shown better antibacterial activity for selected bacterial strains with a good degree of selectivity. Amongst the eight synthesized essential metal complexes complexed with TCSA, Mn(II)-TCSA and Ni(II)-TCSA have been found to be more effective with MIC range 20-50 µg/L as compared to control (chloramphenicol). The activity of an individual complex against different microbes was not found to be identical, indicating the usage of an individual metal chelate against a targeted bacterial strain. Further, the protein (BSA) binding constant of TCSA and its metal complexes were determined and ordered as Ca(II)-TCSA > Cu(II)-TCSA > Mg(II)-TCSA >> Mn(II)-TCSA >> Zn(II)-TCSA >>> Ni(II)-TCSA >>> Co(II)-TCSA > Fe(II)-TCSA > TCSA. The present study has confirmed enhanced antibacterial activities and binding constants for metal chelates of TCSA as compared to free TCSA, which seems directly related with the antioxidant activities of these complexes. Further, bearing the ambiguity related to the structural characterization of the metal complexed with TCSA ligands, DFT calculations have been used as the tool to unravel the right environment around the metals, studying basically the relative stability of square planar and octahedral metal complexes with TCSA.

  18. Advanced alkaline water electrolysis

    International Nuclear Information System (INIS)

    Marini, Stefania; Salvi, Paolo; Nelli, Paolo; Pesenti, Rachele; Villa, Marco; Berrettoni, Mario; Zangari, Giovanni; Kiros, Yohannes

    2012-01-01

    A short review on the fundamental and technological issues relevant to water electrolysis in alkaline and proton exchange membrane (PEM) devices is given. Due to price and limited availability of the platinum group metal (PGM) catalysts they currently employ, PEM electrolyzers have scant possibilities of being employed in large-scale hydrogen production. The importance and recent advancements in the development of catalysts without PGMs are poised to benefit more the field of alkaline electrolysis rather than that of PEM devices. This paper presents our original data which demonstrate that an advanced alkaline electrolyzer with performances rivaling those of PEM electrolyzers can be made without PGM and with catalysts of high stability and durability. Studies on the advantages/limitations of electrolyzers with different architectures do show how a judicious application of pressure differentials in a recirculating electrolyte scheme helps reduce mass transport limitations, increasing efficiency and power density.

  19. Studies on the hydride formation of Zintl-phases of the alkaline earth metals with aluminium, gallium and silicon

    OpenAIRE

    Wenderoth, Patrick

    2014-01-01

    Die vorliegende Arbeit beschäftigt sich mit der Untersuchung der Hydridbildung von Zintl-Phasen einiger Erdalkalimetalle (Calcium, Strontium, Barium) sowie Europium und Ytterbium mit den elektronegativeren Bindungspartnern Aluminium, Gallium und Silicium. Der Fokus lag dabei auf der Strukturaufklärung mittels Röntgenbeugung, sowie (in situ-)Neutronenbeugung und der damit verbundenen Möglichkeit, Reaktionswege aufzuklären. Hiervon wurde bei CaSi und SrGa2 Gebrauch gemacht, die ex situ berei...

  20. Contribution to the study of point defects in rare earth metals

    International Nuclear Information System (INIS)

    Boidron, Michel.

    1980-12-01

    In connection with anomalous diffusion in rare earth metals, the different hypothesis put forward to account for this problem are reviewed. After the determination of the activation volume for self diffusion in γ c.c. lanthanum (0,1 mol.), we point out that diffusion data in rare earth metals and actinides cannot be connected with f.d type electronic transition. Diffusion experiments leading to indirect conclusion, positron annihilation experiments have been undertaken. Vacancy formation energies have thus been determined in γ cerium (0.72 +- 0.07 eV) and europium (0.73 +- 0.17 eV); anomalies in the curves are discussed. A self diffusion mechanism via relaxed vacancies is proposed for γ cerium, such an hypothesis being valid for centred cubic phases. In a second part, neutron irradiations of europium at 20 K lead mainly to interstitials properties (recovery stage centred at 71 K interpreted as stage I and corresponding activation energy for migration: 0.22 +- 0.06 eV). The observed linear relation between migration energy and the peak temperature of the recovery stage has been quantitatively demonstrated (stage I: Em(eV) approximately Q.003 TID (K)) [fr

  1. Rare-earth metal oxide doped transparent mesoporous silica plates under non-aqueous condition as a potential UV sensor.

    Science.gov (United States)

    Lee, Sang-Joon; Park, Sung Soo; Lee, Sang Hyun; Hong, Sang-Hyun; Ha, Chang-Sik

    2013-11-01

    Transparent mesoporous silica plates doped with rare-earth metal oxide were prepared using solvent-evaporation method based on the self-organization between structure-directing agent and silicate in a non-aqueous solvent. A triblock copolymer, Pluronic (F127 or P123), was used as the structure-directing agent, while tetraethyl orthosilicate (TEOS) was used as a silica source. The pore diameter and the surface area of the mesoporous silica plate prepared with the optimized conditions were ca 40 A and 600 m2 g(-1), respectively, for both structure-directing agent. Rare-earth metal oxides (Eu, Tb, Tm oxide) in mesochannel were formed via one-step synthetic route based on the preparation method of a silica plate. Optical properties of rare-earth metal oxide-doped mesoporous silica plates were investigated by UV irradiation and photoluminescence (PL) spectroscopy. Under the exitation wavelength of 254 nm, the doped mesoporous silica plates emitted red, green and blue for Eu, Tb and Tm oxides, respectively. Rare-earth metal oxide-doped mesoporous silica plates showed enhanced PL intensity compared to that of the bulk rare-earth metal oxide.

  2. The atmospheric circulation of the super Earth GJ 1214b: Dependence on composition and metallicity

    International Nuclear Information System (INIS)

    Kataria, T.; Showman, A. P.; Fortney, J. J.; Marley, M. S.; Freedman, R. S.

    2014-01-01

    We present three-dimensional atmospheric circulation models of GJ 1214b, a 2.7 Earth-radius, 6.5 Earth-mass super Earth detected by the MEarth survey. Here we explore the planet's circulation as a function of atmospheric metallicity and atmospheric composition, modeling atmospheres with a low mean molecular weight (MMW; i.e., H 2 -dominated) and a high MMW (i.e., water- and CO 2 -dominated). We find that atmospheres with a low MMW have strong day-night temperature variations at pressures above the infrared photosphere that lead to equatorial superrotation. For these atmospheres, the enhancement of atmospheric opacities with increasing metallicity lead to shallower atmospheric heating, larger day-night temperature variations, and hence stronger superrotation. In comparison, atmospheres with a high MMW have larger day-night and equator-to-pole temperature variations than low MMW atmospheres, but differences in opacity structure and energy budget lead to differences in jet structure. The circulation of a water-dominated atmosphere is dominated by equatorial superrotation, while the circulation of a CO 2 -dominated atmosphere is instead dominated by high-latitude jets. By comparing emergent flux spectra and light curves for 50× solar and water-dominated compositions, we show that observations in emission can break the degeneracy in determining the atmospheric composition of GJ 1214b. The variation in opacity with wavelength for the water-dominated atmosphere leads to large phase variations within water bands and small phase variations outside of water bands. The 50× solar atmosphere, however, yields small variations within water bands and large phase variations at other characteristic wavelengths. These observations would be much less sensitive to clouds, condensates, and hazes than transit observations.

  3. NLO in correlation of phase transition and the alkaline metal environment effect on it in KDP family

    Energy Technology Data Exchange (ETDEWEB)

    Ennaceur, Nasreddine, E-mail: nasr.ennaceur@yahoo.fr [Laboratoire Physico-chimie de l' État Solide, Faculté des Sciences, Université de Sfax, BP 1171, 3000 (Tunisia); Laboratoire de Photonique Quantique et Moléculaire Institut d’Alembert—École Normale Supérieure, 61 avenue du Président Wilson, 94230 Cachan (France); Ledoux-Rak, Isabelle; Singh, Anu [Laboratoire de Photonique Quantique et Moléculaire Institut d’Alembert—École Normale Supérieure, 61 avenue du Président Wilson, 94230 Cachan (France); Mhiri, Tahar; Jarraya, Khaled [Laboratoire Physico-chimie de l' État Solide, Faculté des Sciences, Université de Sfax, BP 1171, 3000 (Tunisia)

    2013-11-01

    The NaH{sub 2}(P{sub 0.48}As{sub 0.52})O{sub 4}·H{sub 2}O (NDAP) compounds allow favorable conditions to the study of evolution of the NLO response during the non-centrosymmetry phases transitions. In fact, NDAP shows the existence of three reversible non-centrosymmetry phase transitions between 272 and 313 K. These experiments are good tools for probing phase transitions and their nature. In this process, several experiments are useful to reveal not only an agreement between the thermal and the quadratic nonlinear (NLO) studies, but also an attempt amongst other things to correlate the probable effect of the alkaline environment of the KDP family on the effectiveness of the NLO intensity.

  4. Influence of Rare Earth Metals on Microstructure and Inclusions Morphology G17CrMo5-5 Cast Steel

    Directory of Open Access Journals (Sweden)

    Kasińska J.

    2014-10-01

    Full Text Available This paper presents influence of rare earth metals (REM on the microstructure and morphology of non-metallic inclusions of G17CrMo5-5 cast carbon steel The research has been performed on successive industrial melts. Each time about 2000 kg of liquid metal was modified. The REM was in the form of mishmetal of the composition 49, 8% Ce, 21, 8% La, 17, 1% Nd, 5, 5% Pr and 5, 35% the rest of REM. Therareearth metals were put into the ladle during tapping of heat melt from the furnace.

  5. First-principles study of the alkali earth metal atoms adsorption on graphene

    International Nuclear Information System (INIS)

    Sun, Minglei; Tang, Wencheng; Ren, Qingqiang; Wang, Sake; JinYu; Du, Yanhui; Zhang, Yajun

    2015-01-01

    Graphical abstract: - Highlights: • The adsorption of Be and Mg adatoms on graphene is physisorption. • Ca, Sr, and Ba adatoms bond ionically to graphene and the most stable adsorption site for them is hollow site. • The zero band gap semiconductor graphene becomes metallic and magnetic after the adsorption of Ca, Sr, and Ba adatoms. - Abstract: Geometries, electronic structures, and magnetic properties for alkali earth metal atoms absorbed graphene have been studied by first-principle calculations. For Be and Mg atoms, the interactions between the adatom and graphene are weak van der Waals interactions. In comparison, Ca, Sr and Ba atoms adsorption on graphene exhibits strong ionic bonding with graphene. We found that these atoms bond to graphene at the hollow site with a significant binding energy and large electron transfer. It is intriguing that these adatoms may induce important changes in both the electronic and magnetic properties of graphene. Semimetal graphene becomes metallic and magnetic due to n-type doping. Detailed analysis shows that the s orbitals of these adatoms should be responsible for the arising of the magnetic moment. We believe that our results are suitable for experimental exploration and useful for graphene-based nanoelectronic and data storage.

  6. Decomposition kinetics of alkaline earth carbonates by integral approximation method Cinética de decomposição de carbonatos de terra alcalina pelo método de aproximação integral

    Directory of Open Access Journals (Sweden)

    S. Maitra

    2008-09-01

    Full Text Available The decomposition kinetics of four synthetic alkaline earth metal carbonates (MgCO3, CaCO3, SrCO3 and BaCO3 was studied under non-isothermal conditions from thermo-gravimetric measurements as compared to. The integral approximation method of Coats and Redfern was used to determine the kinetic parameters for the decomposition processes. The decomposition reactions followed mostly first order kinetics and the activation energy of the decomposition reactions increased with the increase in the molecular mass of the carbonates. The change in enthalpy for the decomposition processes was also calculated and compared with the activation energies for the decomposition processes. The activation energy of the decomposition process for all the carbonates was higher than the enthalpy of the reaction excepting SrCO3.A cinética de decomposição de quatro carbonatos sintéticos de metais de terra alcalina (MgCO3, CaCO3, SrCO3 e BaCO3 foi estudada sob condições não isotérmicas por meio de medidas de termogravimétricas e feita sua comparação. O método de aproximação integral de Coats e Redfern foi usado para determinar os parâmetros cinéticos dos processos de decomposição. As reações de decomposição seguiram principalmente cinética de primeira ordem e a energia de ativação para as reações de decomposição aumentou com o aumento da massa molecular dos carbonatos. A variação na entalpia para os processos de decomposição foi também calculada e comparada com as energias de ativação. A energia de ativação dos processos de decomposição de todos os carbonatos foi maior que a entalpia da reação excepto para SrCO3.

  7. Technique for recovering rare-earth metals from spent sintered Nd-Fe-B magnets without external heating

    Directory of Open Access Journals (Sweden)

    Ryo Sasai

    2016-06-01

    Full Text Available To selectively recover rare-earth metals with higher purity from spent sintered Nd-Fe-B magnets without external heating, we investigated the mechano-chemical treatment of spent sintered Nd-Fe-B magnet powder with a reaction solution of HCl and (COOH2 at room temperature. The results of various experiments showed that the mechano-chemical treatment with HCl and (COOH2 is very effective for recovering the rare-earth metals contained in spent sintered Nd-Fe-B magnet powder; the recovery rate and purity of the rare-earth metals were 95.3 and 95.0 mass%, respectively, under optimal conditions ([HCl] = 0.2 mol/dm3 and [(COOH2] = 0.25 mol/dm3.

  8. Ternary alkali-metal and transition metal or metalloid acetylides as alkali-metal intercalation electrodes for batteries

    Science.gov (United States)

    Nemeth, Karoly; Srajer, George; Harkay, Katherine C; Terdik, Joseph Z

    2015-02-10

    Novel intercalation electrode materials including ternary acetylides of chemical formula: A.sub.nMC.sub.2 where A is alkali or alkaline-earth element; M is transition metal or metalloid element; C.sub.2 is reference to the acetylide ion; n is an integer that is 0, 1, 2, 3 or 4 when A is alkali element and 0, 1, or 2 when A is alkaline-earth element. The alkali elements are Lithium (Li), Sodium (Na), Potassium (K), Rubidium (Rb), Cesium (Cs) and Francium (Fr). The alkaline-earth elements are Berilium (Be), Magnesium (Mg), Calcium (Ca), Strontium (Sr), Barium (Ba), and Radium (Ra). M is a transition metal that is any element in groups 3 through 12 inclusive on the Periodic Table of Elements (elements 21 (Sc) to element 30 (Zn)). In another exemplary embodiment, M is a metalloid element.

  9. Synthesis of organolanthanides by metal addition on insaturated substrates in ether and reactivity

    International Nuclear Information System (INIS)

    Olivier, H.

    1988-01-01

    The aim of the study is the extension to rare earths of the synthesis, well known for alkaline or alkaline earth metals, by direct metal addition to insaturated substrates in ether and where the metal is directly bound to carbon. A definition of formation conditions and affinity rules is attempled, both with substrates (essentially aromatic hydrocarbons and ketones) and with metals: Yb, Sm, Ce, Nd and others. The nature of obtained products by reaction of electrophiles on synthetised organometallics, allows investigations specific reactivity and structure. Potential catalytic transformation of olefins is precised [fr

  10. Alkaline direct alcohol fuel cells

    Science.gov (United States)

    Antolini, E.; Gonzalez, E. R.

    The faster kinetics of the alcohol oxidation and oxygen reduction reactions in alkaline direct alcohol fuel cells (ADAFCs), opening up the possibility of using less expensive metal catalysts, as silver, nickel and palladium, makes the alkaline direct alcohol fuel cell a potentially low cost technology compared to acid direct alcohol fuel cell technology, which employs platinum catalysts. A boost in the research regarding alkaline fuel cells, fuelled with hydrogen or alcohols, was due to the development of alkaline anion-exchange membranes, which allows the overcoming of the problem of the progressive carbonation of the alkaline electrolyte. This paper presents an overview of catalysts and membranes for ADAFCs, and of testing of ADAFCs, fuelled with methanol, ethanol and ethylene glycol, formed by these materials.

  11. Effects of rare earth metals addition on the resistance to pitting corrosion of super duplex stainless steel - Part 1

    International Nuclear Information System (INIS)

    Kim, Soon-Tae; Jeon, Soon-Hyeok; Lee, In-Sung; Park, Yong-Soo

    2010-01-01

    To elucidate the effects of rare earth metals addition on the resistance to pitting corrosion of super duplex stainless steel, a metallographic examination, potentiodynamic and potentiostatic polarization tests, a SEM-EDS and a SAM analysis of inclusion, austenite phase and ferrite phase were conducted. The addition of rare earth metals to the base alloy led to the formation of (Mn, Cr, Si, Al, Ce) oxides and (Mn, Cr, Si, Ce) oxides, which improved the resistance to pitting corrosion and caused a decrease in the preferential interface areas for the initiation of the pitting corrosion.

  12. Metallic complexes with glyphosate: a review

    International Nuclear Information System (INIS)

    Coutinho, Claudia F.B.; Mazo, Luiz Henrique

    2005-01-01

    We present studies involving metallic ions and the herbicide glyphosate. The metallic complexes of Cu(II), Zn(II), Mn(II), Ni(II), Cd(II), Pb(II), Cr(III), Fe(III), Co(III), ammonium, sodium, Ag(I), alkaline earth metals and of some lanthanides ions are described. The complexes are discussed in terms of their synthesis, identification, stability and structural properties, based on data from the current literature. (author)

  13. Porous boron doped diamonds as metal-free catalysts for the oxygen reduction reaction in alkaline solution

    Science.gov (United States)

    Suo, Ni; Huang, Hao; Wu, Aimin; Cao, Guozhong; Hou, Xiaoduo; Zhang, Guifeng

    2018-05-01

    Porous boron doped diamonds (BDDs) were obtained on foam nickel substrates with a porosity of 80%, 85%, 90% and 95% respectively by hot filament chemical vapor deposition (HFCVD) technology. Scanning electron microscopy (SEM) reveals that uniform and compact BDDs with a cauliflower-like morphology have covered the overall frame of the foam nickel substrates. Raman spectroscopy shows that the BDDs have a poor crystallinity due to heavily doping boron. X-ray photoelectron spectroscopy (XPS) analysis effectively demonstrates that boron atoms can be successfully incorporated into the crystal lattice of diamonds. Electrochemical measurements indicate that the oxygen reduction potential is unaffected by the specific surface area (SSA), and both the onset potential and the limiting diffusion current density are enhanced with increasing SSA. It is also found that the durability and methanol tolerance of the boron doped diamond catalysts are attenuated as the increasing of SSA. The SSA of the catalyst is directly proportional to the oxygen reduction activity and inversely to the durability and methanol resistance. These results provide a reference to the application of porous boron doped diamonds as potential cathodic catalysts for the oxygen reduction reaction in alkaline solution by adjusting the SSA.

  14. Thermodynamics analysis of the rare earth metals and their alloys with indium in solid state

    International Nuclear Information System (INIS)

    Vassiliev, V.P.; Benaissa, Ablazeze; Taldrik, A.F.

    2013-01-01

    Graphical abstract: Gibbs energies of formation vs. RE atomic numbers in REIn 3 . Highlights: •Set of experimental values was collected for REIn 3 phases. •Thermodynamic functions of formation were calculated at 298 K and 775 K. •Experimental and calculated values were compared. -- Abstract: Nonlinear correlative analyses between thermodynamic and some physico-chemical properties of rare-earth metals (RE) and their alloys with indium are performed for the isostructural phases RE and REIn 3 . The thermodynamics values (Gibbs energies of formation, enthalpies of formation, and entropies of formation at 298 K and 775 K and standard entropies) of LnIn 3 phases are calculated on the basis of calorimetry and potentiometry results. The proposed correlation between physico-chemical and thermodynamic properties agrees for all the isostructural phases REX (X are others elements of the periodic table). The resulting thermodynamic data are recommended for metallurgical handbook

  15. Coordination Polymerization of Renewable 3-Methylenecyclopentene with Rare-Earth-Metal Precursors.

    Science.gov (United States)

    Liu, Bo; Li, Shihui; Wang, Meiyan; Cui, Dongmei

    2017-04-10

    Coordination polymerization of renewable 3-methylenecyclopentene has been investigated for the first time using rare-earth metal-based precursors bearing various bulky ligands. All the prepared complexes catalyze controllable polymerization of 3-methylenecyclopentene into high molecular weight polymers, of which the NPN- and NSN-tridentate non-Cp ligated lutetium-based catalytic systems exhibited extremely high activities up to 11 520 kg/(mol Lu ⋅h) in a dilute toluene solution (3.2 g/100 mL) at room temperature. The resultant polymers have pure 1,4-regioregularity (>99 %) and tailorable number average molecular weights (1-20×10 4 ) with narrow molecular weight distributions (polydispersity index (PDI)=1.45-1.79). DFT simulations were employed to study the polymerization mechanism and stereoregularity control. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Coercivity of domain wall motion in thin films of amorphous rare earth-transition metal alloys

    Science.gov (United States)

    Mansuripur, M.; Giles, R. C.; Patterson, G.

    1991-01-01

    Computer simulations of a two dimensional lattice of magnetic dipoles are performed on the Connection Machine. The lattice is a discrete model for thin films of amorphous rare-earth transition metal alloys, which have application as the storage media in erasable optical data storage systems. In these simulations, the dipoles follow the dynamic Landau-Lifshitz-Gilbert equation under the influence of an effective field arising from local anisotropy, near-neighbor exchange, classical dipole-dipole interactions, and an externally applied field. Various sources of coercivity, such as defects and/or inhomogeneities in the lattice, are introduced and the subsequent motion of domain walls in response to external fields is investigated.

  17. Theory of Temperature Dependence of the Magnetization in Rare-Earth-Transition-Metal Alloys

    DEFF Research Database (Denmark)

    Szpunar, B.; Lindgård, Per-Anker

    1977-01-01

    It is shown that the temperature dependence of the magnetic moments and Curie and ferrimagnetic compensation temperatures for Gdl-xTx (T = Co, Ni, and Fe) and Y1-xCox can be accounted for by a simple model assuming a RKKY interaction between the rare-earth moments and the transition-metal pseudo-spin......1-xCox durch ein einfaches Model1 erklärt werden können, das eine RKKY-Wechsel-wirkung zwischen den Momenten der Seltenen Erden und des Pseudo-Spins des Übergangsmetalls annimmt. Die Wechselwirkung wird durch ein effektives Legierungsmedium übermittelt, das mit der CPA-Theorie und elliptischen...

  18. Structural order and magnetism of rare-earth metallic amorphous alloys

    International Nuclear Information System (INIS)

    Maurer, M.

    1984-01-01

    Local symmetry (as evaluated from the electric field gradient tensor) and radial distribution functions (obtained by EXAFS measurement) are determined in a series of amorphous rare-earth base alloys. Local order is found to increase with the extent of heteroatomic interactions. Various magnetic phases (including ferromagnetic, spin-glass, reentrant spin-glass) occur for europium alloys with simple metals (Mg, Zn, Cd, Al, Au, ...). This variety reflects the sensitivity of exchange interactions to the presence of non-s conduction electrons. Asperomagnetic structures are established for the Dy alloys. The crystalline electric field interactions at the Dy 3+ ions are interpreted with the help of local symmetry data. Quadratic axial and non-axial crystal field terms are sufficient and necessary in order to account for the hyperfine and bulk experimental results [fr

  19. Metal phosphides

    International Nuclear Information System (INIS)

    Uehlls, A.

    1987-01-01

    The structure of phosphides of the most of elements: alkali, alkaline earth, rare earth, transition metals, actinides, indium, beryllium, cadmium forming the variety of formulae and types of structures, is considered. The ways of P atom combination in phosphides vary from single atoms (ions P 3- in compounds of electropositive elements) through one-, two-dimensional complexes P n up to three-dimensional (charged) grids. In all phosphides, containing the systems of bound atoms of phosphorus, certain or all from these atoms form less than three bonds P-P. The formation of one bond P-P by every atom leads to group P 2 found as P 2 4- ion in diphosphides of transition metals with the structure of the pyrite or marcasite type (RuP 2 ). LaP, SmP, ThP, UP, ZrP form structural type NaCl

  20. Effective rates of heavy metal release from alkaline wastes — Quantified by column outflow experiments and inverse simulations

    Science.gov (United States)

    Wehrer, Markus; Totsche, Kai Uwe

    2008-10-01

    Column outflow experiments operated at steady state flow conditions do not allow the identification of rate limited release processes. This requires an alternative experimental methodology. In this study, the aim was to apply such a methodology in order to identify and quantify effective release rates of heavy metals from granular wastes. Column experiments were conducted with demolition waste and municipal waste incineration (MSWI) bottom ash using different flow velocities and multiple flow interruptions. The effluent was analyzed for heavy metals, DOC, electrical conductivity and pH. The breakthrough-curves were inversely modeled with a numerical code based on the advection-dispersion equation with first order mass-transfer and nonlinear interaction terms. Chromium, Copper, Nickel and Arsenic are usually released under non-equilibrium conditions. DOC might play a role as carrier for those trace metals. By inverse simulations, generally good model fits are derived. Although some parameters are correlated and some model deficiencies can be revealed, we are able to deduce physically reasonable release-mass-transfer time scales. Applying forward simulations, the parameter space with equifinal parameter sets was delineated. The results demonstrate that the presented experimental design is capable of identifying and quantifying non-equilibrium conditions. They show also that the possibility of rate limited release must not be neglected in release and transport studies involving inorganic contaminants.

  1. The Importance of Rare-Earth Additions in Zr-Based AB2 Metal Hydride Alloys

    Directory of Open Access Journals (Sweden)

    Kwo-Hsiung Young

    2016-07-01

    Full Text Available Effects of substitutions of rare earth (RE elements (Y, La, Ce, and Nd to the Zr-based AB2 multi-phase metal hydride (MH alloys on the structure, gaseous phase hydrogen storage (H-storage, and electrochemical properties were studied and compared. Solubilities of the RE atoms in the main Laves phases (C14 and C15 are very low, and therefore the main contributions of the RE additives are through the formation of the RENi phase and change in TiNi phase abundance. Both the RENi and TiNi phases are found to facilitate the bulk diffusion of hydrogen but impede the surface reaction. The former is very effective in improving the activation behaviors. −40 °C performances of the Ce-doped alloys are slightly better than the Nd-doped alloys but not as good as those of the La-doped alloys, which gained the improvement through a different mechanism. While the improvement in ultra-low-temperature performance of the Ce-containing alloys can be associated with a larger amount of metallic Ni-clusters embedded in the surface oxide, the improvement in the La-containing alloys originates from the clean alloy/oxide interface as shown in an earlier transmission electron microscopy study. Overall, the substitution of 1 at% Ce to partially replace Zr gives the best electrochemical performances (capacity, rate, and activation and is recommended for all the AB2 MH alloys for electrochemical applications.

  2. Crystal fields in Sc, Y, and the heavy-rare-earth metals Tb, Dy, Ho, Er, Tm, and Lu

    DEFF Research Database (Denmark)

    Touborg, P.

    1977-01-01

    -field parameters for all these 15 alloy systems deduced. The consistency of the parameters was confirmed by a variety of magnetic measurements, including neutron spectroscopy. Crystal-field parameters have also been derived for the ions in pure magnetic rare-earth metals and their alloys using the results......—with the inaccuracies somewhat increased—are expected to be representative also for the magnetic rare-earth metals. For rare-earth ions in the Sc host the values B40 / β=9.9±1.9 K, B60 / γ=19.8±1.5 K, and B66 / γ=(9.4±0.9)β60 / γ were deduced. B20 / α is a host-sensitive parameter which has the average values of -102.......7, -53.4, and 29.5 K for rare-earth ions in Y, Lu, and Sc, respectively. There is also evidence that this parameter varies with the solute. B20 / α for ions in the pure magnetic rare-earth metals and their alloys shows a linear variation with c / a ratio characteristic of each ion. The results indicate...

  3. Recyclable Earth-Abundant Metal Nanoparticle Catalysts for Selective Transfer Hydrogenation of Levulinic Acid to Produce γ-Valerolactone.

    Science.gov (United States)

    Gowda, Ravikumar R; Chen, Eugene Y-X

    2016-01-01

    Nanoparticles (NPs) derived from earth-abundant metal(0) carbonyls catalyze conversion of bio-derived levulinic acid into γ-valerolactone in up to 93% isolated yield. This sustainable and green route uses non-precious metal catalysts and can be performed in aqueous or ethanol solution without using hydrogen gas as the hydrogen source. Generation of metal NPs using microwave irradiation greatly enhances the rate of the conversion, enables the use of ethanol as both solvent and hydrogen source without forming the undesired ethyl levulinate, and affords recyclable polymer-stabilized NPs. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Theoretical Study of pKaValues for Trivalent Rare-Earth Metal Cations in Aqueous Solution.

    Science.gov (United States)

    Yu, Donghai; Du, Ruobing; Xiao, Ji-Chang; Xu, Shengming; Rong, Chunying; Liu, Shubin

    2018-01-18

    Molecular acidity of trivalent rare-earth metal cations in aqueous solution is an important factor dedicated to the efficiency of their extraction and separation processes. In this work, the aqueous acidity of these metal ions has been quantitatively investigated using a few theoretical approaches. Our computational results expressed in terms of pK a values agree well with the tetrad effect of trivalent rare-earth ions extensively reported in the extraction and separation of these elements. Strong linear relationships have been observed between the acidity and quantum electronic descriptors such as the molecular electrostatic potential on the acidic nucleus and the sum of the valence natural atomic orbitals energies of the dissociating proton. Making use of the predicted pK a values, we have also predicted the major ionic forms of these species in the aqueous environment with different pH values, which can be employed to rationalize the behavior difference of different rare-earth metal cations during the extraction process. Our present results should provide needed insights not only for the qualitatively understanding about the extraction and separation between yttrium and lanthanide elements but also for the prediction of novel and more efficient rare-earth metal extractants in the future.

  5. A rare earth-based metal-organic framework for moisture removal and control in confined spaces

    KAUST Repository

    Eddaoudi, Mohamed

    2017-04-13

    A method for preparing a metal-organic framework (MOF) comprising contacting one or more of a rare earth metal ion component with one or more of a tetratopic ligand component, sufficient to form a rare earth-based MOF for controlling moisture in an environment. A method of moisture control in an environment comprising adsorbing and/or desorbing water vapor in an environment using a MOF, the MOF including one or more of a rare earth metal ion component and one or more of a tetratopic ligand component. A method of controlling moisture in an environment comprising sensing the relative humidity in the environment comprising a MOF; and adsorbing water vapor on the MOF if the relative humidity is above a first level, sufficient to control moisture in an environment. The examples relate to a MOF created from 1,2,4,5-Tetrakis(4-carboxyphenyl )benzene (BTEB) as tetratopic ligand, 2-fluorobenzoic acid and Y(NO3)3, Tb(NO3)3 and Yb(NO3)3 as rare earth metals.

  6. Metal sulfide and rare-earth phosphate nanostructures and methods of making same

    Science.gov (United States)

    Wong, Stanislaus; Zhang, Fen

    2014-05-13

    The present invention provides a method of producing a crystalline metal sulfide nanostructure. The metal is a transitional metal or a Group IV metal. In the method, a porous membrane is placed between a metal precursor solution and a sulfur precursor solution. The metal cations of the metal precursor solution and sulfur ions of the sulfur precursor solution react, thereby producing a crystalline metal sulfide nanostructure.

  7. Zeolite-like metal-organic frameworks with ana topology

    KAUST Repository

    Eddaoudi, Mohamed

    2017-04-20

    Embodiments of the present disclosure describe a zeolite-like metal-organic framework composition comprising a metal-organic framework composition with ana topology characterized by the formula [MIII(4, 5-imidazole dicarboxylic acid)2X(solvent)a]n wherein MIII comprises a trivalent cation of a rare earth element, X comprises an alkali metal element or alkaline earth metal element, and solvent comprises a guest molecule occupying pores. Embodiments of the present disclosure describe a method of separating paraffins comprising contacting a zeolite-like metal-organic framework with ana topology with a flow of paraffins, and separating the paraffins by size.

  8. Tungsten-coated nano-boron carbide as a non-noble metal bifunctional electrocatalyst for oxygen evolution and hydrogen evolution reactions in alkaline media.

    Science.gov (United States)

    Zhang, Yan; Wang, Yanhui; Han, Chan; Jia, Shaopei; Zhou, Shuyu; Zang, Jianbing

    2017-12-14

    Herein, tungsten-coated nano-boron carbide (W-WB 4 -WC x /B 4 C) particles were prepared by heating a mixture of B 4 C and W powder using a spark plasma coating (SPC) method. During the discharge treatment process, metal W in the mixture is activated and reacts with B 4 C to form WC x , WB 4 , and graphite nanoribbons. The oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) performance of W-WB 4 -WC x /B 4 C is tested in an alkaline solution, and the results show that the W-WB 4 -WC x /B 4 C composite electrocatalyst exhibits a low overpotential of 0.36 V at 10 mA cm -2 for the OER, a small overpotential of -0.19 V (j = 10 mA cm -2 ) for the HER, as well as good stability. The significantly enhanced electrocatalytic performance of the W-WB 4 -WC x /B 4 C composites is attributed to their unique structure, in which WC x and WB 4 not only improve the catalytic activity for the OER and HER, but also effectively anchor the W coating on the substrate.

  9. Performance and bacterial communities of successive alkalinity-producing systems (SAPSs) in passive treatment processes treating mine drainages differing in acidity and metal levels.

    Science.gov (United States)

    Jung, Sokhee Philemon; Cheong, Youngwook; Yim, Giljae; Ji, Sangwoo; Kang, Hojeong

    2014-03-01

    Successive alkalinity-producing systems (SAPSs) is a key unit process in the passive treatment of acidic mine drainage. Physico-chemistry and pyrosequencing-based bacterial communities of two passive treatment processes in Gapjung (GJ) and Seokbong (SB) were analyzed. The influent of SB harbored higher levels of acidity and metals than that of GJ. SAPS-SB demonstrated better performance of acidity neutralization and metal removal than SAPS-GJ, despite its shorter hydraulic retention time and higher acidity. System diagnosis revealed that the capacities of SAPSs were not well predicted in the design steps. Bacterial diversity indices and composition were compared at the same sequence read number for fair evaluation. Most of the bacterial sequences were affiliated with uncultured species. A notable difference was observed in the bacterial community compositions of the SAPSs in GJ and SB. Classes of putative sulfate-reducing bacteria, Clostridia (8.3 %) and Deltaproteobacteria (6.1 %), were detected in SAPS-GJ, and Clostridia (14.6 %) was detected in SAPS-SB. Bacilli, which is not a known sulfate-reducing bacterial group, was the second largest class (12.8 %) in SAPS-GJ and the largest class (51.1 %) in SAPS-SB, suggesting that Bacilli may have a prominent role in SAPS. One hundred ninety operational taxonomic units were shared, which occupied ~10 % of each number of total operational taxonomic units in SAPS-GJ and SAPS-SB, respectively. Bacilli and Clostridia were the major shared classes, and Bacillus, Lysinibacillus, and Ureibacillus were the major shared genera. Rarefaction analysis, richness estimates, diversity estimates, and abundance rank analysis show that the sediment bacterial community of SAPS-GJ was more diverse and more evenly distributed than that of SAPS-SB.

  10. Crystallographic and spectroscopic investigations on nine metal-rare-earth silicates with the apatite structure type

    International Nuclear Information System (INIS)

    Wierzbicka-Wieczorek, Maria; Goeckeritz, Martin; Kolitsch, Uwe; Lenz, Christoph; Giester, Gerald

    2015-01-01

    Nine silicates with the apatite structure type (space group P6 3 /m) containing both rare-earth elements (REEs: Pr, Nd, Sm, Tb, Ho and Er) and various metals (K, Sr, Ba and Cd) were synthesised by high-temperature flux-growth techniques and characterised by single-crystal X-ray diffraction, scanning electron microscopy, Raman spectroscopy and laser-induced photoluminescence spectroscopy. In all of the compounds, the 6h Wyckoff position is predominantly or solely occupied by REE 3+ cations, whereas the cations shows a mixed occupancy at the larger, nine-coordinate 4f site with 55-75 % of REE 3+ cations and 45-25 % of other metal cations. The O4 (''free'' oxygen) site is fully occupied by O 2- anions, except for a Ba-Pr member with full occupancy by F - anions. The refined formulas are Cd 2 Er 8 (SiO 4 ) 6 O 2 , Cd 2 Tb 8 (SiO 4 ) 6 O 2 , KHo 9 (SiO 4 ) 6 O 2 , KTb 9 (SiO 4 ) 6 O 2 , KSm 9 (SiO 4 ) 6 O 2 , Sr 2 Nd 8 (SiO 4 ) 6 O 2 , Ba 2 Nd 8 (SiO 4 ) 6 O 2 , Ba 2 Sm 8 (SiO 4 ) 6 O 2 and Ba 4 Pr 6 (SiO 4 ) 6 F 2 . Changes in the metaprism twist angle (φ) and correlations between the unit-cell parameters, average cationic radii (of M + /M 2+ -REE 3+ pairs) and the chemistry of both the synthesised M + /M 2+ -REE 3+ silicate apatites and those reported previously are evaluated. Photoluminescence measurements of undoped samples yielded emission bands in the visible region from green to red; therefore, these compounds are potential candidates for luminescent materials. (Copyright copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  11. The Evolving Chemistry Along Preferential Flow Paths in Alkaline Porous Media and its Significance for Heavy Metal Mobility

    Science.gov (United States)

    Bendz, D.; Flyhammar, P.; Ginn, T. R.

    2001-12-01

    It is common knowledge that physical and chemical heterogeneity are prominent features of geological formations and that they may have a large impact on the fate of contaminants. However, the particular influence of any underlying chemical heterogeneity is difficult to distinguish from experimental data because its manifestation depends on the hydraulic and physical properties of the system as well as the chemical components involved. Physical and chemical heterogeneity are also important features of man-made formations such as landfills. The chemical composition of the leachate that is discharged at the lower boundary of a landfill reflects the processes that take place in the landfill interior. However, anomalous behavior have been observed for both municipal solid waste landfills and municipal solid waste incineration bottom ash landfills: the chemical composition of the leachate indicates that the (bio-) geochemical conditions in the landfill interior alternate between different states depending on the leachate flux. The main hypothesis here is that this is an effect of chemical heterogeneity and a preferential flow field exhibiting a distribution of travel times ranging from hours to years. The importance of a non uniform flow field should not be underestimated when making predictions of expected leaching behavior on short and intermediate time scales, mainly because doing so may render predictions that are not conservative risk-wise. Model simulations demonstrate the influence of partial pressure of CO2, organic content, buffering capacity and matrix diffusion for the formation and movement of reaction (pH- and redox-) fronts and transport of heavy metals in an ensemble of preferential flow paths in a municipal solid waste incineration bottom ash landfill receiving acid rain.

  12. A Complete Design of a Rare Earth Metal-Free Permanent Magnet Generator

    Directory of Open Access Journals (Sweden)

    Petter Eklund

    2014-05-01

    Full Text Available The price of rare-earth metals used in neodymium-iron-boron (NdFeB permanent magnets (PMs has fluctuated greatly recently. Replacing the NdFeB PMs with more abundant ferrite PMs will avoid the cost insecurity and insecurity of supply. Ferrite PMs have lower performance than NdFeB PMs and for similar performance more PM material has to be used, requiring more support structure. Flux concentration is also necessary, for example, by a spoke-type rotor. In this paper the rotor of a 12 kW NdFeB PM generator was redesigned to use ferrite PMs, reusing the existing stator and experimental setup. Finite element simulations were used to calculate both electromagnetic and mechanical properties of the design. Focus was on mechanical design and feasibility of construction. The result was a design of a ferrite PM rotor to be used with the old stator with some small changes to the generator support structure. The new generator has the same output power at a slightly lower voltage level. It was concluded that it is possible to use the same stator with either a NdFeB PM rotor or a ferrite PM rotor. A ferrite PM generator might require a larger diameter than a NdFeB generator to generate the same voltage.

  13. Biodiesel production using alkali earth metal oxides catalysts synthesized by sol-gel method

    Directory of Open Access Journals (Sweden)

    Majid Mohadesi

    2014-03-01

    Full Text Available Biodiesel fuel is considered as an alternative to diesel fuel. This fuel is produced through transesterification reactions of vegetable oils or animal fat by alcohols in the presence of different catalysts. Recent studies on this process have shown that, basic heterogeneous catalysts have a higher performance than other catalysts. In this study different alkali earth metal oxides (CaO, MgO and BaO doped SiO2 were used as catalyst for the biodiesel production process. These catalysts were synthesis by using the sol-gel method. A transesterification reaction was studied after 8h by mixing corn oil, methanol (methanol to oil molar ratio of 16:1, and 6 wt. % catalyst (based on oil at 60oC and 600rpm. Catalyst loading was studied for different catalysts ranging in amounts from 40, 60 to 80%. The purity and yield of the produced biodiesel for 60% CaO/SiO2 was higher than other catalysts and at 97.3% and 82.1%, respectively.

  14. Threefold symmetric magnetic two-ion coupling in hcp rare-earth metals

    International Nuclear Information System (INIS)

    Jensen, J.

    1997-01-01

    The heavy rare earths crystallize in the hcp structure. Most of magnetic couplings between two ions in these metals are independent of the two different orientations of the hexagonal layers. However, trigonal anisotropy terms may occur, reflecting that c-axis is only threefold axis. In the presence of a trigonal coupling the symmetry is reduced, and the double-zone representation in the c-direction ceases to be valid. The strong interaction between the transverse optical phonons and the acoustic spin waves propagating in the c-direction of Yb detected more than twenty years ago, was the first example of a trigonal coupling found in these systems. A few years ago a careful neutron-diffraction study of the c-axis modulated magnetic structures in Er showed the presence of higher harmonics at positions along the c-axis translated by odd multiple of 2φ/c. This indicates distortions of the structures due to trigonal couplings, and the same characteristic phenomenon has now been also observed in Ho. Additionally, mean field calculations show that a trigonal coupling in Ho is required, in order to explain the increase in the commensurable effects observed for the 8 and 10 layered periodic structures, when a field is applied along the c-axis. (author)

  15. Effect of patch borders on coercivity in amorphous rare earth-transition metal thin films

    Science.gov (United States)

    Patterson, G.; Fu, H.; Giles, R. C.; Mansuripur, M.

    1991-01-01

    The coercivity at the micron scale is a very important property of magneto-optical media. It is a key factor that determines the magnetic domain wall movement and domain reversal. How the coercivity is influenced by a special type of patch borders is discussed. Patch formation is a general phenomenon in growth processes of amorphous rare earth transition metal thin films. Different patches may stem from different seeds and the patch borders are formed when they merge. Though little is known about the exact properties of the borders, we may expect that the exchange interaction at the patch border is weaker than that within a patch, since there is usually a spatial gap between two patches. Computer simulations were performed on a 2-D hexagonal lattice consisting of 37 complete patches with random shape and size. From the series of simulations we may conclude that the domain in the patch with borders of 30 percent exchange strength can expand most easily to the whole lattice, because the exchange strength can expand most easily to the whole lattice, because the exchange strength of the border is not too high to prevent the domain from growing within the patch and it is not too low to prevent the domain from expanding beyond the patch.

  16. Band edge electronic structure of transition metal/rare earth oxide dielectrics

    Science.gov (United States)

    Lucovsky, Gerald

    2006-10-01

    This article addresses band edge electronic structure of transition metal/rare earth (TM/RE) non-crystalline and nano-crystalline elemental and complex oxide high- k dielectrics for advanced semiconductor devices. Experimental approaches include X-ray absorption spectroscopy (XAS) from TM, RE and oxygen core states, photoconductivity (PC), and visible/vacuum ultra-violet (UV) spectroscopic ellipsometry (SE) combined with ab initio theory is applied to small clusters. These measurements are complemented by Fourier transform infra-red absorption (FTIR), X-ray photoelectron spectroscopy (XPS), high-resolution transmission electron microscopy (HRTEM) and X-ray diffraction (XRD). Two issues are highlighted: Jahn-Teller term splittings that remove d-state degeneracies of states at the bottom of the conduction band, and chemical phase separation and crystallinity in Zr and Hf silicates and ternary (Zr(Hf)O 2) x(Si 3N 4) y(SiO 2) 1- x- y alloys. Engineering solutions for optimization of both classes of high- k dielectric films, including limits imposed on the continued and ultimate scaling of the equivalent oxide thickness (EOT) are addressed.

  17. Facile fabrication of graphene-based aerogel with rare earth metal oxide for water purification

    Science.gov (United States)

    Pan, Liupeng; Liu, Shunli; Oderinde, Olayinka; Li, Kewen; Yao, Fang; Fu, Guodong

    2018-01-01

    We report a one-step facile fabrication of macroscopic multifunctional graphene-based aerogel with three-dimensional interconnected networks under the synergistic effects of the reduction of graphene oxide sheets by L-ascorbic acid and in situ simultaneous deposition of nanoparticles on graphene sheets. The functional components, Nd2O3 nanoparticles, can be easily incorporated with graphene sheets to assemble bulk macroscopic graphene materials under mild conditions. The reduced graphene oxide/neodymium oxide (rGO/Nd2O3) aerogel showed remarkable adsorption capacity towards different types of dyes, especially for anionic dyes, with the adsorption capacity for indigo disulphonate (ID) being more than 220 mg g-1 within one hour while the adsorption capacity at equilibrium is as high as 397 mg g-1. The method proposed is proven to be universal to induce macroscopic assembly of reduced graphene sheets with rare earth metal oxides and thus facilitates to accessing various graphene-based multifunctional nanocomposites in the form of macroscopic aerogels.

  18. Quantum mechanical study of molecular collisions at ultra-low energy: applications to alkali and alkaline-earth systems; Etude quantique de collisions moleculaires a ultra-basse energie: applications aux alcalins et alcalino-terreux

    Energy Technology Data Exchange (ETDEWEB)

    Quemener, G

    2006-10-15

    In order to investigate the collisional processes which occur during the formation of molecular Bose-Einstein condensates, a time-independent quantum mechanical formalism, based on hyperspherical coordinates, has been applied to the study of atom-diatom dynamics at ultra-low energies. We present theoretical results for three alkali systems, each composed of lithium, sodium or potassium atoms, and for an alkaline-earth system composed of calcium atoms. We also study dynamics at large and positive atom-atom scattering length. Evidence for the suppression of inelastic processes in a fermionic system is given, as well as a linear relation between the atom-diatom scattering length and the atom-atom scattering length. (author)

  19. SYNTHESIS, CHARACTERIZATION AND APPLICATION OF DIATOMACEOUS EARTH – 4,4-DIAMINODIPHENYLETHER-O-HYDROXYBENZALDEHYDE AS AN ADSORBENT OF Ag(I) METAL ION

    OpenAIRE

    Fatoni, Ahmad; Koesnarpadi, Soerja; Hidayati, Nurlisa

    2010-01-01

    Synthesis, characterization and application of Diatomaceous Earth-4,4-Diamino diphenylether-O-Hydroxybenzaldehyde (diatomaceous earth-DDE-O-Hb) as an adsorbent of Ag(I) metal ion has been done. The aim of the purification of natural diatomaceous earth with KMnO4, H2SO4 and HCl were to obtain pure diatomaceous earth, remove the other compounds and de-alumination, respectively. The adsorbent of diatomaceous earth-DDE-O-Hb was synthesized by reacting pure diatomaceous earth with 3-chloropropyltr...

  20. Selection of lixiviant System for the alkaline in-situ Leaching of uranium from an arkosic type of sandstone and measuring the dissolution behaviour of some metals and non-metals

    International Nuclear Information System (INIS)

    Khan, Y.; Shah, S.S.; Siddiq, M.

    2012-01-01

    A laboratory simulation study was carried out to check the possibility of alkaline in-situ leaching of uranium from an arkosic type of sandstone recovered from a specific location at a depth of 300-500 m. The ore body was overlaying impervious clay shale below the water table. Different CO/sub 3/ containing soluble salts were tested as complexing agent of the UO/sup +2/ ions along with H/sub 2/O/sub 2/ as oxidizing agent. The lixiviant system, comprising NH/sub 4/HCO/sub 3/ as complexing agent along with H/Sub 2/O/sub 2/ as oxidizing agent in concentrations of 5 g/L and 0.5 g/L respectively, was found to be the most efficient for the leaching of uranium among the 25 different compositions employed. Along with uranium, the dissolution behaviour of 15 other metals, non-metals and radicals, including eight transition metals, was also observed in the lixiviant employed. These were Na, K, Ca, Mg, Cl, SO/sub 4/, CO/sub 3/, Ti, V, Cr, Mn, Fe, Cu, Zn and Mo. It was found that the leaching of uranium compared to non-transition et als/radicals followed the trend Cl > SO > U > Na > K > Mg > Ca > CO. The comparison of uranium leaching to the transition metals was in the order U > Cr > Mo > V > Ti > Cu > Zn > Mn > Fe. Physical parameters like pH, oxidation reduction potential (ORP) and conductivity were also measured for the fresh and pregnant lixiviants. It was found that the leaching of uranium is directly related to the concentration of native soluble hexavalent uranium, contact time of the lixiviant and ore and to some extent with the total concentration of uranium as well as the porosity and permeability of the ore. (author)

  1. Effect of alkaline earth oxides on the physical and spectroscopic properties of Dy3+- doped Li2O-B2O3 glasses for white emitting material application

    Science.gov (United States)

    Shamshad, L.; Rooh, G.; Kirdsiri, K.; Srisittipokakun, N.; Damdee, B.; Kim, H. J.; Kaewkhao, J.

    2017-02-01

    Li2O-MO-B2O3:0.5Dy2O3 glasses mixed with four different alkaline earth modifier oxides MgO, CaO, SrO and BaO were synthesized by melt quench technique. Their physical properties like density, molar volume and refractive index were measured at room temperature and the effect of alkaline earth modifier oxides were studied. Also, optical absorption and photoluminescence spectra of these glasses have been acquired at room temperature. The Judd-Ofelt theory was effectively used to characterize these spectra and spectral intensities (ƒcal), Judd-Ofelt intensity parameters (Ω2, Ω4 and Ω6) and certain radiative properties have been determined. Radiative life-times (τR), branching ratios (βcal), and emission cross-sections (σp) and optical gain parameters (σp × τR) were calculated from the Judd-Ofelt intensity parameters and the variation in these parameters with the variation of glass matrix are discussed. Yellow/Blue (Y/B) ratio and chromacity color coordinates (x,y) are calculated from the emission spectra which indicates the white light generation from all the investigated samples. The correlated color temperature (CCT) for the studied glasses is found to be 4418 K. The fluorescence decay time (τexp) of the 4F9/2 level of Dy3+ has been measured from the decay profiles and compared with calculated lifetimes (τcal). Among all the studied glass matrices, the glass containing BaO exhibits high value of branching ratio, large emission cross-section and high optical gain parameter for 6F9/2 → 6H13 at 575 nm. The results indicates the suitability of all the studied glasses for laser action and white light generation.

  2. The effect of drains on the alkalinity of agricultural soils

    International Nuclear Information System (INIS)

    Iqbal, M.A.; Butt, T.; Anwar-ul-Haque; Haroon, M.; Haq, I.U.

    2009-01-01

    The purpose of the study was to observe the effect of industrial and domestic drains on the nearby agricultural areas which are either irrigated or not by the waste water but are close to drains. For this purpose 48 soil samples were collected from the selected areas of Faisalabad and were analyzed for alkali metals like Na/sup +/, K/sup +/, Li/sup +/ and some alkaline earth metals like Ba/sup 2+/> Mg/sup 3+/> Na/sup +/> K/sup +/> Li/sup +/ the levels of Ba/sup +2/ and K/sup +/ were found higher than permissible levels in almost all the soil samples. It was also concluded that the agricultural areas near the industrial drain which are either irrigated or not by the industrial waste water are found highly contaminated with mobile alkali metals (K, Na etc.) and higher values of percentage salinity. (author)

  3. Crystal structures and thermal decomposition of permanganates AE[MnO{sub 4}]{sub 2} . n H{sub 2}O with the heavy alkaline earth elements (AE=Ca, Sr and Ba)

    Energy Technology Data Exchange (ETDEWEB)

    Henning, Harald; Bauchert, Joerg M.; Conrad, Maurice; Schleid, Thomas [Stuttgart Univ. (Germany). Inst. fuer Anorganische Chemie

    2017-10-01

    Reexamination of the syntheses and crystal structures as well as studies of the thermal decomposition of the heavy alkaline earth metal permanganates Ca[MnO{sub 4}]{sub 2} . 4 H{sub 2}O, Sr[MnO{sub 4}]{sub 2} . 3 H{sub 2}O and Ba[MnO{sub 4}]{sub 2} are the focus of this work. As an alternative to the very inelegant Muthmann method, established for the synthesis of Ba[MnO{sub 4}]{sub 2} a long time ago, we employed a cation-exchange column loaded with Ba{sup 2+} cations and passed through an aqueous potassium-permanganate solution. We later used this alternative also with strontium- and calcium-loaded columns and all the compounds synthesized this way were indistinguishable from the products of the established methods. Ca[MnO{sub 4}]{sub 2} . 4 H{sub 2}O exhibiting [CaO{sub 8}] polyhedra crystallizes in the orthorhombic space group Pccn with the lattice parameters a=1397.15(9), b=554.06(4) and c=1338.97(9) pm with Z=4, whereas Sr[MnO{sub 4}]{sub 2} . 3 H{sub 2}O with [SrO{sub 10}] polyhedra adopts the cubic space group P2{sub 1}3 with a=964.19(7) pm and Z=4. So the harder the AE{sup 2+} cation, the higher its demand for hydration in aqueous solution. Consequently, the crystal structure of Ba[MnO{sub 4}]{sub 2} in the orthorhombic space group Fddd with a=742.36(5), b=1191.23(7) and c=1477.14(9) pm with Z=8 lacks any crystal water, but contains [BaO{sub 12}] polyhedra. During the thermal decomposition of Ca[MnO{sub 4}]{sub 2} . 4 H{sub 2}O, the compound expels up to two water molecules of hydration, before the crystal structure collapses after the loss of the third H{sub 2}O molecule at 157 C. The crystal structure of Sr[MnO{sub 4}]{sub 2} . 3 H{sub 2}O breaks down after the expulsion of the third water molecule as well, but this already occurs at 148 C. For both the calcium and the strontium permanganate samples, orthobixbyite-type α-Mn{sub 2}O{sub 3} and the oxomanganates(III,IV) AEMn{sub 3}O{sub 6} (AE=Ca and Sr) remain as final decomposition products at 800 C

  4. Interaction of intermetallic compounds formed by rare earths, scandium, yttrium and 3d-transition metals, with gaseous ammonia

    International Nuclear Information System (INIS)

    Shilkin, S.P.; Volkova, L.S.

    1992-01-01

    Interaction of the RT n intermetallic compounds, where R Sc, Y, rare earths, T = Fe, Co, Ni; n = 2,3,5, with gaseous ammonia under pressure of 1MPa and at temperatures of 293, 723 and 798 K is studied. It is established on the basis of roentgenographic studied, chemical analysis data, X-ray photoelectron spectroscopy and specific surface measurements that metallic matrixes of intermetallides decompose into nitrides and transition metal phases at temperatures of 723 and 798 K under effect of ammonia and independent of structural types of the source materials; partial or complete decomposition of intermetallides through ammonia with formation of transition metal mixture, binary hydrides and nitrides of the most electropositive metal the above systems occurs at the temperature of 293 K depending on the heat of the source compounds and their tendency to decomposition under ammonia effect

  5. Metal nitride cluster as a template to tune the electronic and magnetic properties of rare-earth metal containing endohedral fullerenes

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yang

    2013-10-16

    Rare-earth metal containing endohedral fullerenes have attracted much attention due to the feasibility of encaging metal atom, atoms or cluster inside of carbon cages. By switching the metal atom or cluster entrapped inside of the carbon cage the physical and chemical properties of the fullerene compounds can be tuned. The understanding of magnetic and electrochemical properties of endohedral fullerenes plays an essential role in fundamental scientific researches and potential applications in materials science. In this thesis, synthesizing novel rare-earth metal containing endohedral fullerene structures, studying the properties of these isolated endohedral fullerenes and the strategies of tuning the electronic and magnetic properties of endohedral fullerenes were introduced. The DC-arc discharging synthesis of different lanthanide metal-based (Ho, Ce and Pr) mixed metal nitride clusterfullerenes was achieved. Those rare-earth metal containing endohedral fullerenes were isolated by multi-step HPLC. The isolated samples were characterized by spectroscopic techniques included UV-vis-NIR, FTIR, Raman, LDI-TOF mass spectrometry, NMR and electrochemistry. The Ho-based mixed metal nitride clusterfullerenes Ho{sub x}M{sub 3-x}N rate at C{sub 80} (M= Sc, Lu, Y; x=1, 2) were synthesized by ''reactive gas atmosphere'' method or ''selective organic solid'' route. The isolated samples were characterized by LDI-TOF mass spectrometry, UV-vis-NIR, FTIR, Raman and NMR spectroscopy. The {sup 13}C NMR spectroscopic studies demonstrated exceptional NMR behaviors that resulted from switching the second metal inside of the mixed metal nitride cluster Ho{sub x}M{sub 3-x}N from Sc to Lu and further to Y. The LnSc{sub 2}N rate at C{sub 80} (Ln= Ce, Pr, Nd, Tb, Dy, Ho, Lu) MMNCFs were characterized by {sup 13}C and {sup 45}Sc NMR study respectively. According to Bleaney's theory and Reilley method, the separation of δ{sup PC} and δ{sup con

  6. Metal nitride cluster as a template to tune the electronic and magnetic properties of rare-earth metal containing endohedral fullerenes

    International Nuclear Information System (INIS)

    Zhang, Yang

    2013-01-01

    Rare-earth metal containing endohedral fullerenes have attracted much attention due to the feasibility of encaging metal atom, atoms or cluster inside of carbon cages. By switching the metal atom or cluster entrapped inside of the carbon cage the physical and chemical properties of the fullerene compounds can be tuned. The understanding of magnetic and electrochemical properties of endohedral fullerenes plays an essential role in fundamental scientific researches and potential applications in materials science. In this thesis, synthesizing novel rare-earth metal containing endohedral fullerene structures, studying the properties of these isolated endohedral fullerenes and the strategies of tuning the electronic and magnetic properties of endohedral fullerenes were introduced. The DC-arc discharging synthesis of different lanthanide metal-based (Ho, Ce and Pr) mixed metal nitride clusterfullerenes was achieved. Those rare-earth metal containing endohedral fullerenes were isolated by multi-step HPLC. The isolated samples were characterized by spectroscopic techniques included UV-vis-NIR, FTIR, Raman, LDI-TOF mass spectrometry, NMR and electrochemistry. The Ho-based mixed metal nitride clusterfullerenes Ho x M 3-x N rate at C 80 (M= Sc, Lu, Y; x=1, 2) were synthesized by ''reactive gas atmosphere'' method or ''selective organic solid'' route. The isolated samples were characterized by LDI-TOF mass spectrometry, UV-vis-NIR, FTIR, Raman and NMR spectroscopy. The 13 C NMR spectroscopic studies demonstrated exceptional NMR behaviors that resulted from switching the second metal inside of the mixed metal nitride cluster Ho x M 3-x N from Sc to Lu and further to Y. The LnSc 2 N rate at C 80 (Ln= Ce, Pr, Nd, Tb, Dy, Ho, Lu) MMNCFs were characterized by 13 C and 45 Sc NMR study respectively. According to Bleaney's theory and Reilley method, the separation of δ PC and δ con from δ para was achieved by the primary 13 C and 45 Sc NMR analysis of LnSc 2 N rate at C 80 (I). The

  7. Enrichment of rare earth metal ions by the highly selective adsorption of phytate intercalated layered double hydroxide.

    Science.gov (United States)

    Jin, Cheng; Liu, Huimin; Kong, Xianggui; Yan, Hong; Lei, Xiaodong

    2018-02-27

    Phytate intercalated MgAl layered double hydroxide (MgAl-LDH) was prepared by an anion exchange method with the precursor NO 3 - containing MgAl-LDH. The final as-synthesized product [Mg 0.69 Al 0.31 (OH) 2 ] (phytateNa 6 ) 0.05 (NO 3 ) 0.01 ·mH 2 O (phytate-LDH) has highly selective adsorption ability for some metal ions and can be used to enrich rare earth metal ions in mixed solution, such as Pr 3+ and Ce 3+ from a mixed solution of them with Pb 2+ and Co 2+ . At first, phytate-LDH has good adsorption performance for these ions in single metal ion solutions. At low concentration (below 10 mg L -1 ), all the capture rates of the four metal ions were more than 97%, for highly toxic Pb 2+ it was even up to nearly 100%, and a high capture rate (99.87%) was maintained for Pb 2+ at a high concentration (100 mg L -1 ). When all the four metal ions are co-existing in aqueous solution, the selectivity order is Pb 2+ ≫ Pr 3+ ≈ Ce 3+ > Co 2+ . In a solution containing mixtures of the three metal ions of Pr 3+ , Ce 3+ , and Co 2+ , the selectivity order is Pr 3+ ≈ Ce 3+ ≫ Co 2+ , and in a solution containing mixtures of Pr 3+ with Co 2+ and Ce 3+ with Co 2+ , the selectivity orders are Pr 3+ ≫ Co 2+ and Ce 3+ ≫ Co 2+ , respectively. The high selectivity and adsorption capacities for Pb 2+ , Co 2+ , Pr 3+ , and Ce 3+ result in the efficient removal of Pb 2+ and enrichment of the rare earth metal ions Pr 3+ and Ce 3+ by phytate-LDH. Based on the elemental analysis, it is found that the difference of the adsorption capacities is mainly due to the different coordination number of them with phytate-LDH. With molecular simulation, we believe that the adsorption selectivity is due to the difference of the binding energy between the metal ion and phytate-LDH. Therefore, the phytate-LDH is promising for the enrichment and/or purification of the rare earth metal ions and removal of toxic metal ions from waste water.

  8. Extraction of rare earth metals with 2-ethylhexyl phosphonic acid mono-2-ethylhexyl ester in the presence of diethylenetriaminepentaacetic acid in aqueous phase

    International Nuclear Information System (INIS)

    Kubota, Fukiko; Goto, Masahiro; Nakashio, Fumiyuki

    1993-01-01

    The extraction equilibria of rare earth metals with 2-ethylhexyl phosphonic acid mono-2-ethylhexyl ester (commercial name, PC-88A, henceforth abbreviated as HR) dissolved in n-heptane were measured at 303 K. It was found that rare earth metals are extracted with the dimer of the extractant, (HR) 2 , as follows. M aq 3+ + 3(HR) 2 org MR 3 · 3HR org + 3H aq + The extraction equilibrium constants of metals were obtained and compared with the extraction equilibrium constants obtained by di(2-ethylhexyl)phosphoric acid (henceforth DZEHPA). Furthermore, the extraction equilibria of rare earth metals with PC-88A in the presence of diethylenetriaminepentaacetic acid (henceforth DTPA) in an aqueous phase were also measured to discuss the effect of DTPA on the extraction of rare earth metals. 13 refs., 8 figs., 2 tabs

  9. Determination of metals and rare earths in leach solution of phosphogypsum by instrumental neutron activation analysis (INAA)

    International Nuclear Information System (INIS)

    Costa, Gabriela J.L.; Saueia, Catia H.R.; Mazzilli, Barbara P.

    2011-01-01

    The phosphogypsum is a sub-product of the fertilizer industries and is composed of the gypsum matrix (CaSO 4 .2H 2 O) which naturally contains high tenors of impurities such as 2P O 5 and metals coming from the original phosphat rock. The Brazilian phosphogypsum and the various uses has been researched through his elementary and radiochemistry characterization. This work determine the metals (As, Ba, Co and Se) and rare earths (La, Ce, Sm, Eu, Tb and Lu) presents in samples of phosphogypsum leach solutions

  10. Electronic Stopping of Slow Protons in Transition and Rare Earth Metals: Breakdown of the Free Electron Gas Concept.

    Science.gov (United States)

    Roth, D; Bruckner, B; Moro, M V; Gruber, S; Goebl, D; Juaristi, J I; Alducin, M; Steinberger, R; Duchoslav, J; Primetzhofer, D; Bauer, P

    2017-03-10

    The electronic stopping cross sections (SCS) of Ta and Gd for slow protons have been investigated experimentally. The data are compared to the results for Pt and Au to learn how electronic stopping in transition and rare earth metals correlates with features of the electronic band structures. The extraordinarily high SCS observed for protons in Ta and Gd cannot be understood in terms of a free electron gas model, but are related to the high densities of both occupied and unoccupied electronic states in these metals.

  11. Encapsulation of Metal Cations by the PhePhe Ligand: A Cation-pi Ion Cage

    NARCIS (Netherlands)

    Dunbar, R. C.; Steill, J. D.; Oomens, J.

    2011-01-01

    Structures and binding thermochemistry are investigated for protonated PhePhe and for complexes of PhePhe with the alkaline-earth ions Ba2+ and Ca2+, the alkali-metal ions Li+, Na+, K+, and Cs+, and the transition-metal ion Ag+. The two neighboring aromatic side chains open the possibility of a

  12. Encapsulation of metal cations by the PhePhe ligand: a cation-pi ion cage

    NARCIS (Netherlands)

    Dunbar, R.C.; Steill, J.D.; Oomens, J.

    2011-01-01

    Structures and binding thermochemistry are investigated for protonated PhePhe and for complexes of PhePhe with the alkaline-earth ions Ba2+ and Ca2+, the alkali-metal ions Li+, Na+, K+, and Cs+, and the transition-metal ion Ag+. The two neighboring aromatic side chains open the possibility of a

  13. 1,3-Diene Polymerization Mediated by Homoleptic Tetramethylaluminates of the Rare-Earth Metals

    Directory of Open Access Journals (Sweden)

    Christoph O. Hollfelder

    2018-02-01

    Full Text Available During the past two decades homoleptic tetramethylaluminates of the trivalent rare-earth metals, Ln(AlMe43, have emerged as useful components for efficient catalyst design in the field of 1,3-diene polymerization. Previous work had focused on isoprene polymerization applying Ln(AlMe43 precatalysts with Ln = La, Ce, Pr, Nd, Gd and Y, in the presence of Et2AlCl as an activator. Polymerizations employing Ln(AlMe43 with Ln = La, Y and Nd along with borate/borane co-catalysts [Ph3C][B(C6F54], [PhNMe2H][B(C6F54] and [B(C6F53] were mainly investigated for reasons of comparison with ancillary ligand-supported systems (cf. half-sandwich complexes. The present study investigates into a total of eleven rare-earth elements, namely Ln = La, Ce, Pr, Nd, Gd, Tb, Dy, Ho, Y, Er and Lu. A full overview on the polymerization behavior of Ln(AlMe43 in the presence of perfluorinated borate/borane cocatalysts and R2AlCl-type activators (R = Me, Et is provided, probing the monomers isoprene and 1,3-butadiene (and preliminary ethylene. Virtually complete cis-1,4-selectivities are obtained for several catalyst/cocatalyst combinations (e.g., Gd(AlMe43/Me2AlCl, >99.9%. Insights into the ‘black box’ of active species are obtained by indirect observations via screening of pre-reaction time and cocatalyst concentration. The microstructure of the polydienes is investigated by combined 1H/13C NMR and ATR-IR spectroscopies. Furthermore, the reaction of [LuMe6(Li(thfx3] with AlMe3 has been applied as a new strategy for the efficient synthesis of Lu(AlMe43. The solid-state structures of Gd(AlMe43 and Tb(AlMe43 are reported.

  14. A miniature single element effusion cell for the vacuum deposition of transition-metal and rare-earth elements

    Science.gov (United States)

    Harris, V. G.; Koon, N. C.

    1997-08-01

    A miniature single element effusion cell has been fabricated and tested that allows for the high-vacuum deposition of a variety of transition-metal and rare-earth elements. The cell is designed to operate under high-vacuum conditions, ≈10-9 Torr, with low power demands, <200 W. The virtues of this evaporator are the simplicity of design and ease of fabrication, assembly, maintenance, and operation.

  15. Super earth interiors and validity of Birch's Law for ultra-high pressure metals and ionic solids

    Science.gov (United States)

    Ware, Lucas Andrew

    2015-01-01

    Super Earths, recently detected by the Kepler Mission, expand the ensemble of known terrestrial planets beyond our Solar System's limited group. Birch's Law and velocity-density systematics have been crucial in constraining our knowledge of the composition of Earth's mantle and core. Recently published static diamond anvil cell experimental measurements of sound velocities in iron, a key deep element in most super Earth models, are inconsistent with each other with regard to the validity of Birch's Law. We examine the range of validity of Birch's Law for several metallic elements, including iron, and ionic solids shocked with a two-stage light gas gun into the ultra-high pressure, temperature fluid state and make comparisons to the recent static data.

  16. Efeitos antrópicos sobre concentrações de metais alcalinos na região da microbacia do Arroio Araçá, Canoas - Rio Grande do Sul Anthropic effects on alkaline metal concentrations in the region of the Araçá stream micro-basin, Canoas - Rio Grande do Sul

    OpenAIRE

    Tania Renata Prochnow; Emerson Alberto Prochnow; Bernardo Liberman

    2009-01-01

    This work presents alterations in the concentrations of alkaline metals sodium, lithium and potassium, in abiotic compartments, at Araçá stream micro-basin, located in Canoas, RS. Its spring is located in a low populational density region and crosses an elevated environmental impacted urban area. Its final course crosses an agricultural area. Samples of atmospheric particulates, macrophites, water and sediments were analyzed. High concentrations of alkaline metals, related with draining of ri...

  17. Spin-disorder resistivity of heavy rare-earth metals from Gd to Tm: An ab-initio study

    Science.gov (United States)

    Glasbrenner, James; Belashchenko, Kirill

    2010-03-01

    Electrical resistivity of heavy rare-earth metals has a dominant contribution from thermal spin disorder scattering. In the paramagnetic state, this spin-disorder resistivity (SDR) decreases through the Gd-Tm series. Models based on the assumption of fully localized 4f states treated as S or J multiplets predict that SDR is proportional to S^2 (S is the 4f shell spin) times a quantum correction (S+1)/S or (J+1)/J. The interpretation of this correction using experimental results is ambiguous. Since the 4f bandwidth is not small compared to the multiplet splitting, it is not clear whether the 4f shells in rare-earth metals behave as if they were fully localized and have a good quantum number S or J. To address this issue, in this work we calculate the paramagnetic SDR of the rare-earth metal Gd-Tm series using a non-collinear implementation of the tight-binding linear muffin-tin orbital method. The conductance is found using the Landauer-B"uttiker approach applied to the active region of a varying size, averaging the conductance over random spin-disorder configurations and fitting its size dependence to Ohm's law. The results are compared with experiment and discussed. The sensitivity to basis set and the treatment of the 4f electrons, as well as the role of exchange enhancement in the conduction band is considered. The issue of the quantum correction is examined in light of the new results.

  18. Influence of strain and polycrystalline ordering on magnetic properties of high moment rare earth metals and alloys

    International Nuclear Information System (INIS)

    Scheunert, G; Ward, C; Hendren, W R; Bowman, R M; Lapicki, A A; Hardeman, R; Mooney, M; Gubbins, M

    2014-01-01

    Despite being the most suitable candidates for solenoid pole pieces in state-of-the-art superconductor-based electromagnets, the intrinsic magnetic properties of heavy rare earth metals and their alloys have gained comparatively little attention. With the potential of integration in micro and nanoscale devices, thin films of Gd, Dy, Tb, DyGd and DyTb were plasma-sputtered and investigated for their in-plane magnetic properties, with an emphasis on magnetization versus temperature profiles. Based on crystal structure analysis of the polycrystalline rare earth films, which consist of a low magnetic moment fcc layer at the seed interface topped with a higher moment hcp layer, an experimental protocol is introduced which allows the direct magnetic analysis of the individual layers. In line with the general trend of heavy lanthanides, the saturation magnetization was found to drop with increasing unit cell size. In situ annealed rare earth films exceeded the saturation magnetization of a high-moment Fe 65 Co 35 reference film in the cryogenic temperature regime, proving their potential for pole piece applications; however as-deposited rare earth films were found completely unsuitable. In agreement with theoretical predictions, sufficiently strained crystal phases of Tb and Dy did not exhibit an incommensurate magnetic order, unlike their single-crystal counterparts which have a helical phase. DyGd and DyTb alloys followed the trends of the elemental rare earth metals in terms of crystal structure and magnetic properties. Inter-rare-earth alloys hence present a desirable blend of saturation magnetization and operating temperature. (paper)

  19. Microstructure and composition of rare earth-transition metal-aluminium-magnesium alloys

    Directory of Open Access Journals (Sweden)

    Lia Maria Carlotti Zarpelon

    2008-03-01

    Full Text Available The determination of the microstructure and chemical composition of La0.7-xPr xMg0.3Al 0.3Mn0.4Co0.5 Ni3.8 (0 < x < 0.7 metal hydride alloys has been carried out using scanning electron microscopy (SEM, energy dispersive X ray analysis (EDX and X ray diffraction analysis (XRD. The substitution of La with Pr changed the grain structure from equiaxial to columnar. The relative atomic ratio of rare earth to (Al, Mn, Co, Ni in the matrix phase was 1:5 (LaNi5-type structure. Magnesium was detected only in two other phases present. A grey phase revealed 11 at.% Mg and the concentration ratios of other elements indicated the composition to be close to PrMgNi4. A dark phase was very heterogeneous in composition, attributed to the as-cast state of these alloys. The phases identified by XRD analysis in the La0.7Mg0.3Al0.3Mn0.4Co 0.5Ni3.8 alloy were: La(Ni,Co5, LaAl(Ni,Co4, La2(Ni,Co7 and AlMn(Ni,Co2. Praseodymium favors the formation of a phase with a PuNi3-type structure. Cobalt substituted Ni in the structures and yielded phases of the type: Pr(Ni,Co5 and Pr(Ni,Co3.

  20. Materials flow analysis of neodymium, status of rare earth metal in the Republic of Korea.

    Science.gov (United States)

    Swain, Basudev; Kang, Leeseung; Mishra, Chinmayee; Ahn, JoongWoo; Hong, Hyun Seon

    2015-11-01

    Materials flow analysis of neodymium, status of rare earth elements (REEs) in the Republic of Korea has been investigated. Information from various resources like the Korean Ministry of Environment, Korea international trade association, United Nations Commodity Trade Statistics Database and from individual industry were collected and analyzed for materials flow analysis of neodymium. Demand of neodymium in the Republic of Korea for the year 2010 was 409.5 tons out of which the majority of neodymium, i.e., 68.41% was consumed by domestic electronics industry followed by medical appliances manufacturing (13.36%). The Republic Korea is one of the biggest consumer and leading exporter of these industrial products, absolutely depends on import of neodymium, as the country is lacking natural resources. The Republic of Korea has imported 325.9 tons of neodymium permanent magnet and 79.5 tons of neodymium containing equipment parts mainly for electronics, medical appliances, and heavy/light vehicles manufacturing industry. Out of which 95.4 tons of neodymium permanent magnet get exported as an intermediate product and 140.6 tons of neodymium in the form of consumable products get exported. Worldwide the neodymium is at the high end of supply chain critical metal because of increasing demand, scarcity and irreplaceable for technological application. To bring back the neodymium to supply stream the recycling of end of life neodymium-bearing waste can be a feasible option. Out of total domestic consumption, only 21.9 tons of neodymium have been collected and subsequently recycled. From material flow analysis, the requirement for an efficient recycling system and element-wise material flow management for these REEs in the Republic of Korea were realized and recommended. Copyright © 2015 Elsevier Ltd. All rights reserved.

  1. SYNTHESIS, CHARACTERIZATION AND APPLICATION OF DIATOMACEOUS EARTH – 4,4-DIAMINODIPHENYLETHER-O-HYDROXYBENZALDEHYDE AS AN ADSORBENT OF Ag(I METAL ION

    Directory of Open Access Journals (Sweden)

    Ahmad Fatoni

    2010-12-01

    Full Text Available Synthesis, characterization and application of Diatomaceous Earth-4,4-Diamino diphenylether-O-Hydroxybenzaldehyde (diatomaceous earth-DDE-O-Hb as an adsorbent of Ag(I metal ion has been done. The aim of the purification of natural diatomaceous earth with KMnO4, H2SO4 and HCl were to obtain pure diatomaceous earth, remove the other compounds and de-alumination, respectively. The adsorbent of diatomaceous earth-DDE-O-Hb was synthesized by reacting pure diatomaceous earth with 3-chloropropyltrimethoxysilane, 4,4-diaminodiphenylether (DDE and O-hydroxybenzaldehyde (O-Hb. The FTIR spectroscopy was used to identify Schiff base group in diatomaceous earth-DDE-O-Hb adsorbent. The diatomaceous earth-DDE-O-Hb was applied as adsorbent in the adsorption of Ag(I metal ion. Parameters influencing the interaction such as time, pH and concentration were optimized. The result showed that diatomaceous earth-DDE-O-Hb adsorbent have Schiff base group. The interaction time of 90 min showed that 70.79% of Ag(I metal ions at the concentration of 100 ppm can be adsorbed by diatomaceous earth-DDE-O-Hb adsorbent. At the pH solution between 2 to 7, the concentration of 100 ppm of Ag(I metal ion that can adsorbed by diatomaceous earth-DDE-O-Hb adsorbent was up to 98% and at the concentration of 25 ppm Ag(I metal ion, the adsorption of Ag(I by diatomaceous earth-DDE-O-Hb adsorbent was near 91%.

  2. Recent advances in syntheses and biomedical applications of nano-rare earth metal-organic framework materials

    Directory of Open Access Journals (Sweden)

    Xin Pengyan

    2017-12-01

    Full Text Available In recent years,the syntheses of nano-rare earth metal-organic framework (MOF materials and their applications in biomedicine,especially in the diagnosis and treatment of cancer have attracted extensive attentions.On the one hand,nano-rare earth MOFs,which have unique optical and magnetic properties,are promising multimodal imaging contrast agents for biomedical imaging,such as fluorescence imaging and magnetic resonance imaging.On the other hand,nano-rare earth MOFs have various compositions and structures,and excellent intrinsic properties such as large specific surface area,high pore volume and tunable pore size,which enable them to perform as promising nanoplatforms for drug delivery.Therefore,nano-rare earth MOFs may provide a new platform for the development of diagnostic and therapeutic reagents.In this article,the recent advances in the syntheses of nano-rare earth MOFs and their applications in biomedicine are summarized.

  3. A mathematical model of quasi-equilibrium counter-flow processes of rare earth metal separation by solvent extraction when varying the composition of raw material

    International Nuclear Information System (INIS)

    Pyartman, A.K.; Puzikov, E.A.; Kopyrin, A.A.

    1994-01-01

    A mathematical model for description of rare earth metals (3) distribution, depending on the number of contact steps, for quasiequilibrium counter-flow processes of rare earth metals (3) separation by the method of solvent extraction with varying the composition of initial source material is suggested. Algorithm of calculation using computer is provided. The mathematical model is employed for selecting the optimal conditions of didymium concentrate separation. 7 refs., 3 figs., 1 tab

  4. Synthesis and characterization of rare-earth oxide transition-metal arsenides and selenides

    Energy Technology Data Exchange (ETDEWEB)

    Peschke, Simon Friedrich

    2017-04-06

    The present thesis includes two different quaternary systems that have been studied extensively. On the one hand, several samples of the REFeAsO{sub 1-x}F{sub x} family of iron-based superconductors were prepared using a novel solid state metathesis reaction, which also provided a possibility to prepare late rare-earth compounds of this family at ambient pressure. Comparison of structural and physical properties of those samples with samples from conventional solid state and high pressure syntheses revealed both, commonalities as well as striking differences. The observations gave reason to the conclusion that superconducting properties strongly depend, beside electronic infl uence, on the structural parameters. On the other hand, the quaternary system RE-T-Se-O with T = Ti-Mn was investigated using a NaI/KI flux mediated synthesis route. It has been shown that oC -La{sub 2}O{sub 2}MnSe{sub 2} is exclusively accessible in su fficient purity by the use of a fl ux material. Therefore, further syntheses in this quaternary system were performed by a flux mediated synthesis route leading to a large amount of new materials. Among them, a new polymorph mC-La{sub 2}O{sub 2}MnSe{sub 2} which forms, together with La{sub 4}MnSe{sub 3}O{sub 4} and La{sub 6}MnSe{sub 4}O{sub 6}, the series La{sub 2n+2}MnSe{sub n+2}O{sub 2n+2}. In addition, the alternative preparation method also enabled a large scale synthesis of the first examples of rare-earth chromium oxyselenides with chromium in the oxidation state +II, namely RE{sub 2}CrSe{sub 2}O{sub 2} (RE = La-Nd), which opened the door to study their magnetism in detail by powder neutron diffraction and muon spin rotation techniques. Research into the La-V-Se-O system revealed the first fi ve quaternary compounds of this family with interesting magnetic properties including ferromagnetism, antiferromagnetism, metamagnetism and more complex behaviour. In addition, the crystal structure of two new quaternary titanium containing

  5. Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project

    DEFF Research Database (Denmark)

    Hummelshøj, Jens Strabo; Landis, David; Voss, Johannes

    2009-01-01

    We present a computational screening study of ternary metal borohydrides for reversible hydrogen storage based on density functional theory. We investigate the stability and decomposition of alloys containing 1 alkali metal atom, Li, Na, or K (M1); and 1 alkali, alkaline earth or 3d/4d transition...

  6. Crystal fields in Sc, Y, and the heavy-rare-earth metals Tb, Dy, Ho, Er, Tm, and Lu

    International Nuclear Information System (INIS)

    Touborg, P.

    1977-01-01

    Experimental investigations of the magnetic poperties of dilute alloys of the rare-earth solutes Tb, Dy, Ho, Er, and Tm in the nonmagnetic hosts Lu, Y, and Sc have been performed. These measurements, which include and supplement earlier published results, have been analyzed and crystal-field parameters for all these 15 alloy systems deduced. The consistency of the parameters was confirmed by a variety of magnetic measurements, including neutron spectroscopy. Crystal-field parameters have also been derived for the ions in pure magnetic rare-earth metals and their alloys using the results for the dilute alloys supplemented with paramagnetic measurements up to high temperatures on the concentrated systems. Mean values and standard deviations of the higher-order crystal-field parameters for all Y and Lu alloys are B 40 /β = 6.8 +- 0.9 K, B 60 /γ = 13.6 +- 0.7 K, and B 66 /γ = (9.7 +- 1.1) B 60 /γ. These values: with the inaccuracies somewhat increased: are expected to be representative also for the magnetic rare-earth metals. For rare-earth ions in the Sc host the values B 40 /β = 9.9 +- 1.9 K, B 60 /γ = 19.8 +- 1.5 K, and B 66 /γ = (9.4 +- 0.9) B 60 /γ were deduced. B 20 /α is a host-sensitive parameter which has the average values of -102.7, -53.4, and 29.5 K for rare-earth ions in Y, Lu, and Sc, respectively. There is also evidence that this parameter varies with the solute. B 20 /α for ions in the pure magnetic rare-earth metals and their alloys shows a linear variation with c/a ratio characteristic of each ion. The results indicate a contribution from anisotropic exchange to the high-temperature paramagnetic anisotropy of approximately 20% for Tb, Dy, Ho, and Er, and approximately 10% for Tm

  7. Dimeric Complexes of Tryptophan with M2+ Metal Ions

    NARCIS (Netherlands)

    Dunbar, R. C.; Steill, J. D.; Polfer, N. C.; Oomens, J.

    2009-01-01

    IRMPD spectroscopy using the FELIX free electron laser and a Fourier transform ICR mass spectrometer was used to characterize the structures of electrosprayed dimer complexes M(2+)Trp(2) of tryptophan with a series of eight doubly charged metal ions, including alkaline earths Ca, Sr, and Ba, and

  8. Hyporheic Microbial Biofilms as Indicators of Heavy and Rare Earth Metals in the Clark Fork Basin, Montana

    Science.gov (United States)

    Barnhart, E. P.; Hornberger, M.; Hwang, C.; Dror, I.; Bouskill, N.; Short, T.; Cain, D.; Fields, M. W.

    2016-12-01

    The ability to effectively monitor the impact of hard rock mining activities on rivers and streams is a growing concern given the large number of active and abandoned mines in the western United States. One such example, the Clark Fork Basin (CFB), western Montana, was extensively mined for copper in the early 20th century: it is now one of largest U.S. EPA superfund sites. Microbial biofilms are at the base of the lotic food chain and may provide a useful biomonitoring tool for the assessment of metal toxicity due to their environmental ubiquity, rapidity of response to environmental perturbation, and importance in determining metal mobility. Hyporheic microbial biofilms from the CFB were sampled in 2014, concurrent with the USGS National Research Programs (NRP) long-term site monitoring of metals in bed sediment and aquatic benthic insects. Integration of the DNA sequencing results from the hyporheic biofilms with the sediment and insect metal concentrations correlated several bacterial phyla with metal contamination. For example, the genus Lysobacter was strongly associated with copper (Cu) bioaccumulation in the aquatic insect Hydropsyche. These results support previous studies identifying Lysobacter as a bacterial genus that is resistant to Cu ions. Our analysis is the first to indicate that specific microorganisms can act as biomarkers of Cu contamination in rivers. Moreover, our work demonstrates that changes at the microbial community level in the hyporheic zone can be coupled to observed perturbations across higher trophic levels. In 2015, extensive remediation occurred at several of the sites sampled in 2014, providing an excellent opportunity to revisit the sites and examine the temporal variability of identified biomarkers and the short-term effectiveness of remediation. In addition, samples were analyzed for rare earth metals, of which little is known, and could provide additional insight into other metals that change the microbial community structure.

  9. Precious metals and rare earth elements in municipal solid waste--sources and fate in a Swiss incineration plant.

    Science.gov (United States)

    Morf, Leo S; Gloor, Rolf; Haag, Olaf; Haupt, Melanie; Skutan, Stefan; Di Lorenzo, Fabian; Böni, Daniel

    2013-03-01

    In Switzerland many kinds of waste, e.g. paper, metals, electrical and electronic equipment are separately collected and recycled to a large extent. The residual amount of municipal solid waste (MSW) has to be thermally treated before final disposal. Efforts to recover valuable metals from incineration residues have recently increased. However, the resource potential of critical elements in the waste input (sources) and their partitioning into recyclable fractions and residues (fate) is unknown. Therefore, a substance flow analysis (SFA) for 31 elements including precious metals (Au, Ag), platinum metal group elements (Pt, Rh) and rare earth elements (La, Ce, etc.) has been conducted in a solid waste incinerator (SWI) with a state-of-the-art bottom ash treatment according to the Thermo-Re® concept. The SFA allowed the determination of the element partitioning in the SWI, as well as the elemental composition of the MSW by indirect analysis. The results show that the waste-input contains substantial quantities of precious metals, such as 0.4 ± 0.2mg/kg Au and 5.3 ± 0.7 mg/kg Ag. Many of the valuable substances, such as Au and Ag are enriched in specific outputs (e.g. non-ferrous metal fractions) and are therefore recoverable. As the precious metal content in MSW is expected to rise due to its increasing application in complex consumer products, the results of this study are essential for the improvement of resource recovery in the Thermo-Re® process. Copyright © 2012 Elsevier Ltd. All rights reserved.

  10. Magmatic age of rare-earth element and zirconium mineralisation at the Norra Kärr alkaline complex, southern Sweden, determined by U-Pb and Lu-Hf isotope analyses of metasomatic zircon and eudialyte

    Science.gov (United States)

    Sjöqvist, Axel S. L.; Cornell, David H.; Andersen, Tom; Christensson, Ulf I.; Berg, Johan T.

    2017-12-01

    The agpaitic Norra Kärr alkaline complex in southern Sweden is rich in heavy rare-earth elements and zirconium. Despite generally containing high concentrations of Zr, agpaitic rocks sensu stricto are devoid of igneous zircon. During the late stages of magmatic activity at Norra Kärr, metasomatic Na- and F-rich fluids transporting Zr complexes caused fenitisation (syn-magmatic alkali metasomatism) of the granitic wall rocks, which formed new metasomatic zircon. Fenite zircon was dated by LA-MC-ICP-MS with the U-Pb method at 1.49 ± 0.01 Ga, while the unaltered country rock granite was dated at 1.79 ± 0.01 Ga. Zircon in the fenites exhibits εHf + 6.58 ± 0.36 at 1.49 Ga; significantly above the expected value for Svecofennian crust at that time (ca. - 5 ± 2), but identical, within error, of that measured in eudialyte from Norra Kärr. This suggests a common source of Hf for fenite zircon and eudialyte from Norra Kärr, which isotopically strengthens the genetic link between fenite and nepheline syenite. The 1.49 Ga age dates not only the fenitisation, but also the relatively small agpaitic intrusion, which caused the fenitisation. This also dates the origin of the rare-earth element and Zr ore within the agpaitic nepheline syenite, which probably formed from an evolved magma derived from the mantle. A few zircon xenocrysts, which survived in the agpaitic nepheline syenite magma, may indicate the presence of an Archaean component in the basement.

  11. Effect of Destined High-Pressure Torsion on the Structure and Mechanical Properties of Rare Earth-Based Metallic Glasses

    Science.gov (United States)

    Zhao, W.; Cheng, H.; Jiang, X.; Wu, M. L.; Li, G.

    2018-03-01

    Changes in the atomic structure and mechanical properties of rare earth-based metallic glasses caused by destined high-pressure torsion (HPT) were studied by X-ray diffraction synchrotron radiation and nanoindentation. Results showed that destined HPT improved nanohardness and wear resistance, which indicated the significant contributions of this technique. The diffraction patterns showed that the contents of pairs between solvent and solute atoms with a large negative mixing enthalpy increased, whereas those of pairs between solvent atoms and between solute atoms decreased after destined HPT. Thus, the process was improved by increasing the proportion of high-intensity pairs between solvent and solute atoms.

  12. Determination of uranium and rare-earth metals separation coefficients in LiCl-KCl melt by electrochemical transient techniques

    Energy Technology Data Exchange (ETDEWEB)

    Kuznetsov, S.A. [Institute of Chemistry, Kola Science Centre, RAS, 184200 Apatity, Murmansk Region (Russian Federation)]. E-mail: kuznet@chemy.kolasc.net.ru; Hayashi, H. [Japan Atomic Energy Research Institute, Tokai-mura, Naka-gun, Ibaraki-ken 319-1195 (Japan); Minato, K. [Japan Atomic Energy Research Institute, Tokai-mura, Naka-gun, Ibaraki-ken 319-1195 (Japan); Gaune-Escard, M. [Ecole Polytechnique, IUSTI-CNRS UMR 6595, Technopole de Chateau Gombert, F-13453 Marseille cedex 13 (France)

    2005-09-01

    The main step in the pyrometallurgical process of spent nuclear fuel recycling is a molten salt electrorefining. The knowledge of separation coefficients of actinides (U, Np, Pu and Am) and rare-earth metals (Y, La, Ce, Nd and Gd) is very important for this step. Usually the separation coefficients are evaluated from the formal standard potentials of metals in melts containing their own ions, values obtained by potentiometric method. Electrochemical experiments were carried out at 723-823 K in order to estimate separation coefficients in LiCl-KCl eutectic melt containing uranium and lanthanum trichlorides. It was shown that for the calculation of uranium and lanthanum separation coefficients it is necessary to determine the voltammetric peak potentials of U(III) and La(III), their concentration in the melt and the kinetic parameters relating to U(III) discharge such as transfer and diffusion coefficients, and standard rate constants of charge transfer.

  13. Determination of uranium and rare-earth metals separation coefficients in LiCl KCl melt by electrochemical transient techniques

    Science.gov (United States)

    Kuznetsov, S. A.; Hayashi, H.; Minato, K.; Gaune-Escard, M.

    2005-09-01

    The main step in the pyrometallurgical process of spent nuclear fuel recycling is a molten salt electrorefining. The knowledge of separation coefficients of actinides (U, Np, Pu and Am) and rare-earth metals (Y, La, Ce, Nd and Gd) is very important for this step. Usually the separation coefficients are evaluated from the formal standard potentials of metals in melts containing their own ions, values obtained by potentiometric method. Electrochemical experiments were carried out at 723-823 K in order to estimate separation coefficients in LiCl-KCl eutectic melt containing uranium and lanthanum trichlorides. It was shown that for the calculation of uranium and lanthanum separation coefficients it is necessary to determine the voltammetric peak potentials of U(III) and La(III), their concentration in the melt and the kinetic parameters relating to U(III) discharge such as transfer and diffusion coefficients, and standard rate constants of charge transfer.

  14. High hydrogen loading of thin palladium wires through alkaline earth carbonates' precipitation on the cathodic surface - evidence of a new phase in the Pd-H system

    Energy Technology Data Exchange (ETDEWEB)

    Celani, F.; Spallone, A.; Di Gioacchino, D. [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali di Frascati, Frascati, RM (Italy); Marini, P.; Di Stefano, V.; Nakamura, M. [EURESYS, Rome (Italy); Pace, S. [Salerno Univ., Salerno (Italy). Dept. of Physics, Istituto Nazionale per la Fisica della Materia; Mancini, A. [ORIM S.r.l., Piediripa, MC (Italy); Tripodi, P. [Stanford Research Institut International, Stanford, CA (United States)

    2000-07-01

    A new protocol for the electrolytic loading of hydrogen (H) in thin palladium (Pd) wires has been developed. In order to increase the cathodic overvoltage, which is known to be the main parameter capable to enhance the electrolytic H loading of Pd, the catalytic action of the Pd surface versus H-H recombination has been strongly reduced by precipitation of a thin layer of alkaline-earth carbonates on the cathode. A set of electrolytes has been employed, containing small amounts of hydrochloric or sulfuric acid and strontium or calcium ions. The H loading has been continuously evaluated through ac measurements of the Pd wire resistance. Uncommonly low resistivity values, leading to an estimate of exceptionally high H loading, have been observed. Evidence of the existence of a new phase in the very high H content region of the Pd-H system has been inferred on the basis of the determination of the temperature coefficient of the electrical resistivity. Mainly for this purpose a thin layer of Hg was galvanically deposed on the cathodic surface, in order to prevent any H deloading during the measurements. The results have been fully reproduced in other 2 well equipped and experienced Laboratories (Italy, USA).

  15. Study of conformational and acid-base properties of norbadione A and pulvinic derivatives: Consequences on their complexation properties of alkaline and alkaline earth cations; Etude des proprietes conformationnelles et acido-basiques de la norbadione A et de derives pulviniques: consequences sur leurs proprietes complexantes de cations alcalins et alcalino-terreux

    Energy Technology Data Exchange (ETDEWEB)

    Kuad, P

    2006-01-15

    This work deals with the study of norbadione A, a pigment extracted from mushrooms and known to complex cesium cations. The study of the acid-base properties of norbadione A has allowed to determine the relative acidity of the seven protonable functions of the molecule and to reveal a reversible isomerization of the double exocyclic bond of the pulvinic moieties. The observed change of configuration is induced by a hydrogen bond of the H-O-H type and by electrostatic interactions. Moreover, the microscopic protonation mechanism of the norbadione A has been analyzed, considering three different study media where the acid-base properties of the norbadione A are compared. In the presence of 0.15 mol.l{sup -1} of NaCl, it has been observed a remarkable cooperativity in the protonation of the enol groups. At last, the use of different analytical methods (NMR, potentiometry and calorimetry) has allowed to study the complexing properties of the norbadione A towards cesium and other alkaline and rare earth cations. (O.M.)

  16. Fast microwave-assisted solvothermal synthesis of metal nanoparticles (Pd, Ni, Sn) supported on sulfonated MWCNTs: Pd-based bimetallic catalysts for ethanol oxidation in alkaline medium

    CSIR Research Space (South Africa)

    Ramulifho, T

    2012-01-01

    Full Text Available -MWCNT-Pd and its "mixed" bimetallic electrocatalysts (i.e., SF-MWCNT-PdSn mix and SF-MWCNT-PdNi) towards ethanol oxidation in alkaline medium was investigated. The result shows that the mixed Pd-based catalysts (obtained by simple ultrasonic...

  17. Proceedings of the sixth international workshop on rare earth-cobalt permanent magnets and their applications, August 31 - September 2, 1982, and third international symposium on magnetic anisotropy and coercivity in rare earth-transition metal alloys, September 3, 1982

    International Nuclear Information System (INIS)

    Fidler, J.

    1982-01-01

    The first part (workshop) is concerned specifically with applications of rare earth-cobalt permanent magnets. The session headings are 1) electro-mechanical applications 2) electronic and miscellaneous applications 3) magneto-mechanical applications plus workshop on measurement methods 4) new materials and processes 5) industrial applications of REPM and future aspects. The second part (symposium) is concerned with physical properties of specific rare earth-transition metal alloys. (G.Q.)

  18. Prebiotic Synthesis of Glycine from Ethanolamine in Simulated Archean Alkaline Hydrothermal Vents.

    Science.gov (United States)

    Zhang, Xianlong; Tian, Ge; Gao, Jing; Han, Mei; Su, Rui; Wang, Yanxiang; Feng, Shouhua

    2017-12-01

    Submarine hydrothermal vents are generally considered as the likely habitats for the origin and evolution of early life on Earth. In recent years, a novel hydrothermal system in Archean subseafloor has been proposed. In this model, highly alkaline and high temperature hydrothermal fluids were generated in basalt-hosted hydrothermal vents, where H 2 and CO 2 could be abundantly provided. These extreme conditions could have played an irreplaceable role in the early evolution of life. Nevertheless, sufficient information has not yet been obtained for the abiotic synthesis of amino acids, which are indispensable components of life, at high temperature and alkaline condition. This study aims to propose a new method for the synthesis of glycine in simulated Archean submarine alkaline vent systems. We investigated the formation of glycine from ethanolamine under conditions of high temperature (80-160 °C) and highly alkaline solutions (pH = 9.70). Experiments were performed in an anaerobic environment under mild pressure (0.1-8.0 MPa) at the same time. The results suggested that the formation of glycine from ethanolamine occurred rapidly and efficiently in the presence of metal powders, and was favored by high temperatures and high pressures. The experiment provides a new pathway for prebiotic glycine formation and points out the phenomenal influence of high-temperature alkaline hydrothermal vents in origin of life in the early ocean.

  19. Prebiotic Synthesis of Glycine from Ethanolamine in Simulated Archean Alkaline Hydrothermal Vents

    Science.gov (United States)

    Zhang, Xianlong; Tian, Ge; Gao, Jing; Han, Mei; Su, Rui; Wang, Yanxiang; Feng, Shouhua

    2017-12-01

    Submarine hydrothermal vents are generally considered as the likely habitats for the origin and evolution of early life on Earth. In recent years, a novel hydrothermal system in Archean subseafloor has been proposed. In this model, highly alkaline and high temperature hydrothermal fluids were generated in basalt-hosted hydrothermal vents, where H2 and CO2 could be abundantly provided. These extreme conditions could have played an irreplaceable role in the early evolution of life. Nevertheless, sufficient information has not yet been obtained for the abiotic synthesis of amino acids, which are indispensable components of life, at high temperature and alkaline condition. This study aims to propose a new method for the synthesis of glycine in simulated Archean submarine alkaline vent systems. We investigated the formation of glycine from ethanolamine under conditions of high temperature (80-160 °C) and highly alkaline solutions (pH = 9.70). Experiments were performed in an anaerobic environment under mild pressure (0.1-8.0 MPa) at the same time. The results suggested that the formation of glycine from ethanolamine occurred rapidly and efficiently in the presence of metal powders, and was favored by high temperatures and high pressures. The experiment provides a new pathway for prebiotic glycine formation and points out the phenomenal influence of high-temperature alkaline hydrothermal vents in origin of life in the early ocean.

  20. Kinetics and mechanism of the hydridation of uranium and rare-earth metals

    International Nuclear Information System (INIS)

    Bloch, J.

    1989-07-01

    The purpose of this work was to study the rate and the mechanism of the hydridation reaction of uranium and the lanthanide metals. Surface sensitive analysis was used to study the reaction of the metal surface with residual gases of the high vacuum atmosphere. The initial stages of the uranium-hydrogen reaction, taking place on a polished metal surface, were investigated utilizing a hot-stage microscope equipped with TV camera and a video-recorder. The characteristics of formation and advance mechanism of hydride phase in bulk uranium and lanthanide metals were studied utilizing metallographic examination of partially hydrided thin foil samples at different stages of the reaction. The interface velocity of the hydride in uranium was measured as a function of pressure and temprature in a constant volume system. A probabilistic kinetic model for a gas-solid interaction, controlled by a phase transformation step, was developed and applied to the hydridation of uranium and gadolinium

  1. Effect of Rare Earth Metals, Sr, and Ti Addition on the Microstructural Characterization of A413.1 Alloy

    Directory of Open Access Journals (Sweden)

    M. G. Mahmoud

    2017-01-01

    Full Text Available The present work was performed on A413.1 alloy containing 0.2–1.5 wt% rare earth metals (lanthanum or cerium, 0.05–0.15% Ti, and 0–0.02 wt% Sr. These elements were either added individually or combined. Thermal analysis, image analysis, and electron probe microanalysis were the main techniques employed in the present study. The results show that the use of the depression in the eutectic temperature as a function of alloy modification cannot be applied in the case when the alloy is treated with rare earth metals. Increasing the concentration of RE increases the solidification zone especially in Sr-modified alloys leading to poor feeding ability. This observation is more prominent in the case of Ce addition. Depending upon the amount of added Ti, two RE based intermetallics can be formed: (i a white phase, mainly platelet-like (approximately 2.5 μm thick, that is rich in RE, Si, Cu, and Al and (ii a second phase made up of mainly grey sludge particles (star-like branching in different directions. The grey phase is rich in Ti with some RE (almost 20% of that in the white phase with traces of Si and Cu. There is a strong interaction between RE and Sr leading to a reduction in the efficiency of Sr as a eutectic Si modifier causing particle demodification.

  2. Metallic complexes with glyphosate: a review; Complexos metalicos com o herbicida glifosato: revisao

    Energy Technology Data Exchange (ETDEWEB)

    Coutinho, Claudia F.B.; Mazo, Luiz Henrique [Sao Paulo Univ., Sao Carlos, SP (Brazil). Inst. de Quimica]. E-mail: claudiabreda@iqsc.usp.br

    2005-11-15

    We present studies involving metallic ions and the herbicide glyphosate. The metallic complexes of Cu(II), Zn(II), Mn(II), Ni(II), Cd(II), Pb(II), Cr(III), Fe(III), Co(III), ammonium, sodium, Ag(I), alkaline earth metals and of some lanthanides ions are described. The complexes are discussed in terms of their synthesis, identification, stability and structural properties, based on data from the current literature. (author)

  3. A Comparative Study of Mn/Co Binary Metal Catalysts Supported on Two Commercial Diatomaceous Earths for Oxidation of Benzene

    Directory of Open Access Journals (Sweden)

    Marco Tomatis

    2018-03-01

    Full Text Available Two commercial diatomaceous earths were used as supports for the preparation of Mn/Co binary metal catalysts at different metal loads (5 to 10 wt % Mn and 5 to 15 wt % Co by incipient wetness deposition. The activity of the prepared catalysts towards the complete oxidation of benzene to CO2 and water was investigated between 100 and 400 °C. Raw supports and synthesized catalysts were characterized by XRD, N2 physisorption, SEM-EDS, H2-TPR, and TPD. The purification treatment of food-grade diatomite significantly affected the crystallinity of this support while reducing its specific surface area (SSA. A loss of SSA, associated with the increase in the metal load, was observed on samples prepared on natural diatomite, while the opposite trend occurred with food-grade diatomite-supported catalysts. Metal nanoparticles of around 50 nm diameter were observed on the catalysts’ surface by SEM analysis. EDS analysis confirmed the uniform deposition of the active phases on the support’s surface. A larger H2 consumption was found by TPR analysis of natural diatomite-based samples in comparison to those prepared at the same metal load on food-grade diatomite. During the catalytic oxidation experiment, over 90% conversion of benzene were achieved at a reaction temperature of 225 °C by all of the prepared samples. In addition, the formation of coke during the oxidation tests was demonstrated by TGA analysis and the soluble fraction of the produced coke was characterized by GC-MS.

  4. Separation of rare earths from transition metals by liquid-liquid extraction from a molten salt hydrate to an ionic liquid phase.

    Science.gov (United States)

    Rout, Alok; Binnemans, Koen

    2014-02-28

    The solvent extraction of trivalent rare-earth ions and their separation from divalent transition metal ions using molten salt hydrates as the feed phase and an undiluted fluorine-free ionic liquid as the extracting phase were investigated in detail. The extractant was tricaprylmethylammonium nitrate, [A336][NO3], and the hydrated melt was calcium nitrate tetrahydrate, Ca(NO3)2·4H2O. The extraction behavior of rare-earth ions was studied for solutions of individual elements, as well as for mixtures of rare earths in the hydrated melt. The influence of different extraction parameters was investigated: the initial metal loading in the feed phase, percentage of water in the feed solution, equilibration time, and the type of hydrated melt. The extraction of rare earths from Ca(NO3)2·4H2O was compared with extraction from CaCl2·4H2O by [A336][Cl] (Aliquat 336). The nitrate system was found to be the better one. The extraction and separation of rare earths from the transition metals nickel, cobalt and zinc were also investigated. Remarkably high separation factors of rare-earth ions over transition metal ions were observed for extraction from Ca(NO3)2·4H2O by the [A336][NO3] extracting phase. Furthermore, rare-earth ions could be separated efficiently from transition metal ions, even in melts with very high concentrations of transition metal ions. Rare-earth oxides could be directly dissolved in the Ca(NO3)2·4H2O phase in the presence of small amounts of Al(NO3)3·9H2O or concentrated nitric acid. The efficiency of extraction after dissolving the rare-earth oxides in the hydrated nitrate melt was identical to extraction from solutions with rare-earth nitrates dissolved in the molten phase. The stripping of the rare-earth ions from the loaded ionic liquid phase and the reuse of the recycled ionic liquid were also investigated in detail.

  5. Alkaline galvanic cells

    Energy Technology Data Exchange (ETDEWEB)

    Eisenberg, M.

    1993-06-01

    A battery is described having an anode, a cathode and an electrolyte with the anode having zinc or a zinc alloy as an active anodic material, the cathode having a metal oxide or hydroxide as an active cathodic material, and the electrolyte comprising a solution of a first salt formed by the reaction of one or more acids selected from the group consisting of boric acid, phosphoric acid and arsenic acid with an alkali or earth alkali hydroxide present in an amount to produce a stoichiometric, excess of said hydroxide to said acid in the range of 2.5 to 11.0 equivalents per liter, and a solution of a second salt which is a soluble alkali or earth alkali fluoride in an amount corresponding to a concentration range of 0.01 to 1.0 equivalents per liter of total solution.

  6. THE DISTRIBUTION OF COMMERCIAL CROWN ETHER DC18C6 AND THE EXTRACTION STUDY OF ALKALI AND EARTH ALKALI METALS

    Directory of Open Access Journals (Sweden)

    Bambang Rusdiarso

    2010-06-01

    Full Text Available Distribution of A and B isomers of crown-ether DC18C6 on their organic and water phases (chloride, nitrate and sulphocyanide salts and extraction of alkali and earth alkali metals has been studied. In LiCl 0.1 M environment, lithium extraction could be ignored. The presence of extracted potassium metal may affect the crown ether DC18C6 distribution albeit only a little. In KNO3 0.1 M environment, the distribution coefficient values (d were 6.1 and 10.3 for A and B isomers, respectively ; while in KCl  0.1 M environment the values were 4.9 and 11.8, respectively. In KSCN 0.1 M, d values for A and B isomers were 40.4 and 36.6, respectively, which were higher than the value obtained from both KNO3 and KCl  0.1 M environments. Caesium metal extraction using DC18C6 occurred weakly, up to only 5%. Strontium extraction using DC18C6 achieved better yield than the caesium extraction. The percentage of extraction increased under organic solvent according to the following: toluene (4% < chloroform (28% < TBP (35%.   Keywords: distribution, crown-ether DC18C6, extraction.

  7. Contribution to the study of diffusion in rare earth metals and actinides

    International Nuclear Information System (INIS)

    Marbach, Gabriel.

    1978-07-01

    This work describes several experiments carried out in order to understand the process of self diffusion in rare earth and actinides (self diffusion of body centered cubic γ neptunium, diffusion of gadolinium in body centered delta cerium, measurement of the activation volume of face centered cubic γ cerium). The unstable electronic structure of some elements cannot be correlate with anomalous diffusion properties. In fact the diffusion parameters of neptunium and plutonium are similar (high diffusivity and low activation energy) whereas the electronic structure of neptunium is stable and that of plutonium is temperature dependent. The negative activation volume of the body centered cubic phases of plutonium and cerium does not indicate a particular diffusion mechanism since self diffusion is faster under pressure in face centered cubic γ cerium where a vacancy mechanism is assumed according to earlier results. The vacancy mechanism is the most probable diffusion process in the body centered cubic and compact phases of rare earths and actinides [fr

  8. Surface shift of the occupied and unoccupied 4f levels of the rare-earth metals

    DEFF Research Database (Denmark)

    Aldén, Magnus; Johansson, Börje; Skriver, Hans Lomholt

    1995-01-01

    The surface energy shifts of the occupied and unoccupied 4f levels for the lanthanide metals have been calculated from first principles by means of a Green’s-function technique within the tight-binding linear muffin-tin orbitals method. We use the concept of complete screening to identify the occ...

  9. Ballmilling of metal borohydrides for hydrogen storage

    DEFF Research Database (Denmark)

    Sommer, Sanna

    2014-01-01

    is to hydrogenate simple compounds such as metalborides and hydrides with the intention of forming a new and more hydrogen rich borohydride. In contrast to mainstream research, the method of synthesis has been based on reactants that are expected to be found in the metal borohydride’s dehydrogenated state....... Specifically, the research undertaken targets CaB6 whose boron is in a octahedral network, or AlB2 whose boron is layered. These compounds were then reactive ball milled with alkali and alkaline earth metal under hydrogen pressure, with the intention of forming metal borohydrides. For CaB6, no clear sign...

  10. Efeitos antrópicos sobre concentrações de metais alcalinos na região da microbacia do Arroio Araçá, Canoas - Rio Grande do Sul Anthropic effects on alkaline metal concentrations in the region of the Araçá stream micro-basin, Canoas - Rio Grande do Sul

    Directory of Open Access Journals (Sweden)

    Tania Renata Prochnow

    2009-01-01

    Full Text Available This work presents alterations in the concentrations of alkaline metals sodium, lithium and potassium, in abiotic compartments, at Araçá stream micro-basin, located in Canoas, RS. Its spring is located in a low populational density region and crosses an elevated environmental impacted urban area. Its final course crosses an agricultural area. Samples of atmospheric particulates, macrophites, water and sediments were analyzed. High concentrations of alkaline metals, related with draining of rice fields or with the ground type, as well as correlations among its concentrations with regional activities were verified. Tripogandra diurética has shown bioaccumulation compatible with their concentrations on waters.

  11. Synchrotron Diffraction Studies of Spontaneous Magnetostriction in Rare Earth Transition Metal Compounds

    International Nuclear Information System (INIS)

    Ning Yang

    2004-01-01

    Thermal expansion anomalies of R 2 Fe 14 B and R 2 Fe 17 C x (x = 0,2) (R Y, Nd, Gd, Tb, Er) stoichiometric compounds are studied with high-energy synchrotron X-ray powder diffraction using Debye-Schemer geometry in temperature range 10K to 1000K. Large spontaneous magnetostriction up to their Curie temperatures (T c ) is observed. The a-axes show relatively larger invar effects than c-axes in the R 2 Fe 14 B compounds whereas the R 2 Fe 17 C x show the contrary anisotropies. The iron sub-lattice is shown to dominate the spontaneous magnetostriction of the compounds. The contribution of the rare earth sublattice is roughly proportional to the spin magnetic moment of the rare earth in the R 2 Fe 14 B compounds but in R 2 Fe 17 C x , the rare earth sub-lattice contribution appears more likely to be dominated by the local bonding. The calculation of spontaneous magnetostrain of bonds shows that the bonds associated with Fe(j2) sites in R 2 Fe 14 B and the dumbbell sites in R 2 Fe 17 C x have larger values, which is strongly related to their largest magnetic moment and Wigner-Seitz atomic cell volume. The roles of the carbon atoms in increasing the Curie temperatures of the R 2 Fe 17 compounds are attributed to the increased separation of Fe hexagons. The R 2 Fe 17 and R 2 Fe 14 B phases with magnetic rare earth ions also show anisotropies of thermal expansion above T c . For R 2 Fe 17 and R 2 Fe 14 B the a a /a c > 1 whereas the anisotropy is reversed with the interstitial carbon in R 2 Fe 17 . The average bond magnetostrain is shown to be a possible predictor of the magnetic moment of Fe sites in the compounds. Both of the theoretical and phenomenological models on spontaneous magnetostriction are discussed and a Landau model on the spontaneous magnetostriction is proposed

  12. Calculation of crystal-field parameters for rare-earth noble metal alloys

    Energy Technology Data Exchange (ETDEWEB)

    Steinbeck, L. [MPG Research Group `Electron Systems`, Department of Physics, University of Technology, Mommsenstr. 13, D-01062, Dresden (Germany); Richter, M. [MPG Research Group `Electron Systems`, Department of Physics, University of Technology, Mommsenstr. 13, D-01062, Dresden (Germany); Eschrig, H. [MPG Research Group `Electron Systems`, Department of Physics, University of Technology, Mommsenstr. 13, D-01062, Dresden (Germany); Nitzsche, U. [MPG Research Group `Electron Systems`, Department of Physics, University of Technology, Mommsenstr. 13, D-01062, Dresden (Germany)

    1995-02-09

    The crystal-field (CF) parameters for 4f electrons of a series of rare-earth impurities in Ag and Au have been evaluated from first-principles density functional calculations of the charge distribution which are based on an optimized LCAO scheme. The localized 4f states are treated as `open core shell`. By including the self-interaction correction for the 4f states, artificial constraints on the 4f charge density employed in earlier density functional CF calculations are avoided. The calculated parameters are compared with recent neutron scattering data. ((orig.)).

  13. The RMgSn{sub 2} series of compounds (R = rare earth metal). Synthesis, crystal structure, and magnetic measurements

    Energy Technology Data Exchange (ETDEWEB)

    Solokha, Pavlo; Minetti, Riccardo; De Negri, Serena; Saccone, Adriana [Dipartimento di Chimica e Chimica Industriale, Universita di Genova (Italy); Pereira, Laura Cristina J.; Goncalves, Antonio P. [Centro de Ciencias e Tecnologias Nucleares, Instituto Superior Tecnico, EN 10, Universidade de Lisboa, Bobadela (Portugal)

    2017-06-30

    The novel isostructural series of phases RMgSn{sub 2} (R = Y, La-Nd, Sm, Gd-Tm, Lu) is presented. They were prepared by direct synthesis in an induction furnace and subsequently annealed at 500 C. Their crystal structures were determined through single-crystal X-ray diffraction analysis of the Ce representative [I anti 42m, tI32-LaMgSn{sub 2}, Z = 8, a = 0.82863(3) nm, c = 1.23129(5) nm] and confirmed by powder X-ray diffraction analysis of the other members of the series. Rietveld refinements were also performed on the homologues with R = Pr, Tm, and Y. The title phases show a unique space distribution of atoms, characterized by the presence of a Sn-Sn dumbbell distanced at around 0.29 nm. Their structures are related to those of a few binary AeTt{sub 3} (Ae = alkaline earth; Tt = Si, Ge; I4/mmm, tI32-YbSi{sub 3}) compounds that are stable at high pressure, characterized by a more complex 3D covalently bonded Tt network. Compounds CeMgSn{sub 2} and TbMgSn{sub 2} were magnetically characterized; they show paramagnetic behavior with the presence of ferromagnetic interactions, more pronounced in the case of TbMgSn{sub 2}, as suggested by the Curie-Weiss temperatures, determined in the high-temperature range, of 0.96 and 27.6 K for CeMgSn{sub 2} and TbMgSn{sub 2}, respectively. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  14. New ternary transition metal borides containing uranium and rare earth elements

    International Nuclear Information System (INIS)

    Rogl, P.; Delong, L.

    1983-01-01

    The new ternary actinide metal diborides U 2 MoB 6 , U 2 ReB 6 , U 2 OsB 6 , URuB 4 and UOsB 4 were prepared and found to crystallize with either the Y 2 ReB 6 or the ThMoB 4 type of structure. LuRuB 4 and LuOsB 4 crystallize with the YCrB 4 type of structure. In a ternary series of solid solutions YRh 3 Bsub(1-x) (0 0 C), boron was found to stabilize a Cu 3 Au type of structure. The superconductivity of the new uranium compounds and of a series of ternary transition metal borides was investigated; no superconductivity was observed for temperatures as low at 1.3-1.5 K. The cubic perovskite or filled Cu 3 Au structure is discussed as a type which is very unfavorable for the occurrence of superconductivity. (Auth.)

  15. Microwave-Assisted Adsorptive Desulfurization of Model Diesel Fuel Using Synthesized Microporous Rare Earth Metal-Doped Zeolite Y

    Directory of Open Access Journals (Sweden)

    N. Salahudeen

    2015-06-01

    Full Text Available The microwave-assisted adsorptive desulfurization of model fuel (thiophene in n-heptane was investigated using a synthesized rare earth metal-doped zeolite Y (RE Y. Crystallinity of the synthesized zeolite was 89.5%, the silicon/aluminium (Si/Al molar ratio was 5.2, the Brunauer–Emmett–Teller (BET surface area was 980.9 m2/g, and the pore volume and diameter was 0.3494 cm3/g and 1.425 nm, respectively. The results showed that the microwave reactor could be used to enhance the adsorptive desulfurization process with best efficiency of 75% at reaction conditions of 100 °C and 15 minutes. The high desulfurization effect was likely due to the higher efficiency impact of microwave energy in the interaction between sulfur in thiophene and HO-La(OSiAl.

  16. Alkaline earth stannates: The next silicon?

    Directory of Open Access Journals (Sweden)

    Sohrab Ismail-Beigi

    2015-06-01

    Full Text Available Semiconductor materials are being used in an increasingly diverse array of applications, with new device concepts being proposed each year for solar cells, flat-panel displays, sensors, memory, and spin transport. This rapid progress of invention outpaces the development of new semiconductor materials with the required properties and performance. In many applications, high carrier mobility at room temperature is required in addition to specific functional properties critical to the device concept. We review recent developments on high mobility stannate perovskite oxide materials and devices.

  17. Optical properties of alkaline earth borate glasses

    African Journals Online (AJOL)

    user

    of RO oxides in the glass matrix is small and therefore no significant structural changes might have occurred in the glass network. Urbach's energy refers to the width of the tails of localized states in the forbidden gap of a disordered material. According to. Urbach's rule, optical absorption coefficient near the absorption edge ...

  18. Electrical Resistivity of Alkaline Earth Elements.

    Science.gov (United States)

    1976-12-01

    34Conduction in Amorphous Mg-Bi and Mg-Sb Alloys," J. Non-Cryst. Solids 2(3), 278-83, 1970. (E75407) ... .m.. 78 40. Rorschach , H. E. and Herlin, M...Constants and Some Mathematical Functions, Thirteenth Edition, John Wiley and Sons, Inc., New York, p. 92, 1966. 91. Landolt, H. I., "Numerical Values and

  19. Net alkalinity and net acidity 2: Practical considerations

    Science.gov (United States)

    Kirby, C.S.; Cravotta, C.A.

    2005-01-01

    The pH, alkalinity, and acidity of mine drainage and associated waters can be misinterpreted because of the chemical instability of samples and possible misunderstandings of standard analytical method results. Synthetic and field samples of mine drainage having various initial pH values and concentrations of dissolved metals and alkalinity were titrated by several methods, and the results were compared to alkalinity and acidity calculated based on dissolved solutes. The pH, alkalinity, and acidity were compared between fresh, unoxidized and aged, oxidized samples. Data for Pennsylvania coal mine drainage indicates that the pH of fresh samples was predominantly acidic (pH 2.5-4) or near neutral (pH 6-7); ??? 25% of the samples had pH values between 5 and 6. Following oxidation, no samples had pH values between 5 and 6. The Standard Method Alkalinity titration is constrained to yield values >0. Most calculated and measured alkalinities for samples with positive alkalinities were in close agreement. However, for low-pH samples, the calculated alkalinity can be negative due to negative contributions by dissolved metals that may oxidize and hydrolyze. The Standard Method hot peroxide treatment titration for acidity determination (Hot Acidity) accurately indicates the potential for pH to decrease to acidic values after complete degassing of CO2 and oxidation of Fe and Mn, and it indicates either the excess alkalinity or that required for neutralization of the sample. The Hot Acidity directly measures net acidity (= -net alkalinity). Samples that had near-neutral pH after oxidation had negative Hot Acidity; samples that had pH calculated based on initial pH and dissolved concentrations of Fe, Mn, and Al minus the initial alkalinity. Acidity calculated from the pH and dissolved metals concentrations, assuming equivalents of 2 per mole of Fe and Mn and 3 per mole of Al, was equivalent to that calculated based on complete aqueous speciation of FeII/FeIII. Despite changes in

  20. Development of alkaline fuel cells.

    Energy Technology Data Exchange (ETDEWEB)

    Hibbs, Michael R.; Jenkins, Janelle E.; Alam, Todd Michael; Janarthanan, Rajeswari; Horan, James L.; Caire, Benjamin R.; Ziegler, Zachary C.; Herring, Andrew M.; Yang, Yuan; Zuo, Xiaobing; Robson, Michael H.; Artyushkova, Kateryna; Patterson, Wendy; Atanassov, Plamen Borissov

    2013-09-01

    This project focuses on the development and demonstration of anion exchange membrane (AEM) fuel cells for portable power applications. Novel polymeric anion exchange membranes and ionomers with high chemical stabilities were prepared characterized by researchers at Sandia National Laboratories. Durable, non-precious metal catalysts were prepared by Dr. Plamen Atanassovs research group at the University of New Mexico by utilizing an aerosol-based process to prepare templated nano-structures. Dr. Andy Herrings group at the Colorado School of Mines combined all of these materials to fabricate and test membrane electrode assemblies for single cell testing in a methanol-fueled alkaline system. The highest power density achieved in this study was 54 mW/cm2 which was 90% of the project target and the highest reported power density for a direct methanol alkaline fuel cell.

  1. Designing mixed metal halide ammines for ammonia storage using density functional theory and genetic algorithms

    DEFF Research Database (Denmark)

    Jensen, Peter Bjerre; Lysgaard, Steen; Quaade, Ulrich J.

    2014-01-01

    electrolyte membrane fuel cells (PEMFC). We use genetic algorithms (GAs) to search for materials containing up to three different metals (alkaline-earth, 3d and 4d) and two different halides (Cl, Br and I) – almost 27000 combinations, and have identified novel mixtures, with significantly improved storage...

  2. Behavior of Rare-Earth Metals in Vacuum Melting and Directional Solidification of Nickel Superalloys

    Science.gov (United States)

    Sidorov, V. V.; Min, P. G.

    2017-12-01

    The interaction of the nickel melt containing REMs (Y, Ce, and La) with the ceramic material of a melting crucible (Al2O3, MgO • Al2O3, Y2O3) during vacuum melting and with a mold (Al2O3) during directional solidification of has been detected experimentally. The REM concentration in a metal decreases as a result of holding of an REM-containing melt in a ceramic crucible or a mold. This should be taken into account to achieve the optimal required REM content in alloys.

  3. Electrochemical transient techniques for determination of uranium and rare-earth metal separation coefficients in molten salts

    Energy Technology Data Exchange (ETDEWEB)

    Kuznetsov, S.A. [Institute of Chemistry, Kola Science Centre, RAS, Apatity, Murmansk Region 184200, Russia (Russian Federation)]. E-mail: kuznet@chemy.kolasc.net.ru; Hayashi, H. [Japan Atomic Energy Research Institute, Tokai-mura, Naka-gun, Ibaraki-ken 319-1195 (Japan); Minato, K. [Japan Atomic Energy Research Institute, Tokai-mura, Naka-gun, Ibaraki-ken 319-1195 (Japan); Gaune-Escard, M. [Ecole Polytechnique, IUSTI-CNRS UMR 6595, University of Provence, F-13453 Marseille, Cedex 13 (France)

    2006-02-25

    The main step in the pyrometallurgical recycling process of spent nuclear fuel is a molten salt electrorefining. The knowledge of separation coefficients of actinides (U, Np, Pu and Am) and rare-earth metals (Y, La, Ce, Nd and Gd) is very important for this step. Usually the separation coefficients are evaluated from the formal standard potentials of metals in melts containing their own ions, i.e. values obtained by potentiometric method. Electrochemical experiments were carried out at 723-823 K in order to estimate separation coefficients in LiCl-KCl eutectic melt containing uranium and lanthanum trichlorides. The electrochemical behaviour of UCl{sub 3} in LiCl-KCl melt was studied by different electrochemical methods. The diffusion coefficients of U(III) were determined by linear sweep voltammetry, chronopotentiometry and chronoamperometry. The standard rate constants of charge transfer for electroreduction of uranium, U(III) + 3e{sup -} {sup {yields}} U, were calculated by the impedance spectroscopy method. The values of constants testify that electroreduction of U(III) to U is mainly controlled by the rate of charge transfer. La(III) discharge on uranium electrode was also investigated. It was shown that for the calculation of uranium and lanthanum separation coefficients it is necessary to determine the voltammetric peak potentials of U(III) and La(III), their concentration in the melt and the kinetic parameters relating to U(III) discharge such as transfer and diffusion coefficients, and standard rate constants of charge transfer.

  4. Effects of Rare Earth Metal addition on the cavitation erosion-corrosion resistance of super duplex stainless steels

    Science.gov (United States)

    Shim, Sung-Ik; Park, Yong-Soo; Kim, Soon-Tae; Song, Chi-Bok

    2002-05-01

    Austenitic stainless steels such as AISI 316L have been used in equipment in which fluid flows at high speeds which can induce cavitation erosion on metallic surfaces due to the collapse of cavities, where the collapse is caused by the sudden change of local pressure within the liquid. Usually AISI 316L is susceptible to cavitation erosion. This research focuses on developing a better material to replace the AISI 316L used in equipment with high speed fluid flow, such as impellers. The effects of Rare Earth Metal (REM) additions on the cavitation erosion-corrosion resistance of duplex stainless steels were studied using metallographic examination, the potentiodynamic anodic polarization test, the tensile test, the X-ray diffraction test and the ultrasonic cavitation erosion test. The experimental alloys were found to have superior mechanical properties due to interstitial solid solution strengthening, by adding high nitrogen (0.4%), as well as by the refinement of phases and grains induced by fine REM oxides and oxy-sulfides. Corrosion resistance decreases in a gentle gradient as the REM content increases. However, REM containing alloys show superior corrosion resistance compared with that of other commercial alloys (SAF 2507, AISI 316L). Owing to their excellent mechanical properties and corrosion resistance, the alloys containing REM have high cavitation erosion-corrosion resistance.

  5. Synchrotron Diffraction Studies of Spontaneous Magnetostriction in Rare Earth Transition Metal Compounds

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Ning [Iowa State Univ., Ames, IA (United States)

    2004-12-19

    Thermal expansion anomalies of R2Fe14B and R2Fe17Cx (x = 0,2) (R = Y, Nd, Gd, Tb, Er) stoichiometric compounds are studied with high-energy synchrotron X-ray powder diffraction using Debye-Schemer geometry in temperature range 10K to 1000K. Large spontaneous magnetostriction up to their Curie temperatures (Tc) is observed. The a-axes show relatively larger invar effects than c-axes in the R2Fe14B compounds whereas the R2Fe17Cx show the contrary anisotropies. The iron sub-lattice is shown to dominate the spontaneous magnetostriction of the compounds. The contribution of the rare earth sublattice is roughly proportional to the spin magnetic moment of the rare earth in the R2Fe14B compounds but in R2Fe17Cx, the rare earth sub-lattice contribution appears more likely to be dominated by the local bonding. The calculation of spontaneous magnetostrain of bonds shows that the bonds associated with Fe(j2) sites in R2Fe14B and the dumbbell sites in R2Fe17Cx have larger values, which is strongly related to their largest magnetic moment and Wigner-Seitz atomic cell volume. The roles of the carbon atoms in increasing the Curie temperatures of the R2Fe17 compounds are attributed to the increased separation of Fe hexagons. The R2Fe17 and R2Fe14B phases with magnetic rare earth ions also show anisotropies of thermal expansion above c. For R2Fe17 and R2Fe14B the a a/a c > 1 whereas the anisotropy is reversed with the interstitial carbon in R2Fe17. The average bond magnetostrain is shown to be a possible predictor of the magnetic moment of Fe sites in the compounds. Both of the theoretical and

  6. Effect of metallic nanoparticle fillers on the thermal conductivity of diatomaceous earth

    Science.gov (United States)

    Diallo, Mouhamad S.; Srinivasan, Srilok; Chang, Boyce; Ghosh, Suvojit; Balasubramanian, Ganesh

    2016-10-01

    Thermal conductivity of solid nanoparticles (aluminum) in a nanoporous solid matrix (diatomaceous earth) is examined to understand the effect of conductive fillers on the thermal properties of a porous material. We find that thermal conductivity is strongly dependent on load applied to prepare the mixture compacts, while porosity is influenced by the composition of the mixture. The addition of nanoparticles contributes to limited increases in thermal conductivity of the mixture by (1) increasing contact area between the mixture constituents and (2) reduction of porosity that leads to enhanced solid-gas coupling contribution. Thermal conductivity increases exponentially with external gas pressures due to the coupling effect between the solid particles and the entrapped air.

  7. Exploration of earth-abundant transition metals (Fe, Co, and Ni) as catalysts in unreactive chemical bond activations.

    Science.gov (United States)

    Su, Bo; Cao, Zhi-Chao; Shi, Zhang-Jie

    2015-03-17

    Activation of inert chemical bonds, such as C-H, C-O, C-C, and so on, is a very important area, to which has been drawn much attention by chemists for a long time and which is viewed as one of the most ideal ways to produce valuable chemicals. Under modern chemical bond activation logic, many conventionally viewed "inert" chemical bonds that were intact under traditional conditions can be reconsidered as novel functionalities, which not only avoids the tedious synthetic procedures for prefunctionalizations and the emission of undesirable wastes but also inspires chemists to create novel synthetic strategies in completely different manners. Although activation of "inert" chemical bonds using stoichiometric amounts of transition metals has been reported in the past, much more attractive and challenging catalytic transformations began to blossom decades ago. Compared with the broad application of late and noble transition metals in this field, the earth-abundant first-row transition-metals, such as Fe, Co, and Ni, have become much more attractive, due to their obvious advantages, including high abundance on earth, low price, low or no toxicity, and unique catalytic characteristics. In this Account, we summarize our recent efforts toward Fe, Co, and Ni catalyzed "inert" chemical bond activation. Our research first unveiled the unique catalytic ability of iron catalysts in C-O bond activation of both carboxylates and benzyl alcohols in the presence of Grignard reagents. The benzylic C-H functionalization was also developed via Fe catalysis with different nucleophiles, including both electron-rich arenes and 1-aryl-vinyl acetates. Cobalt catalysts also showed their uniqueness in both aromatic C-H activation and C-O activation in the presence of Grignard reagents. We reported the first cobalt-catalyzed sp(2) C-H activation/arylation and alkylation of benzo[h]quinoline and phenylpyridine, in which a new catalytic pathway via an oxidative addition process was demonstrated

  8. Electrocatalytic Hydrogenation of Oxygenates using Earth-Abundant Transition-Metal Nanoparticles under Mild Conditions.

    Science.gov (United States)

    Carroll, Kyler J; Burger, Thomas; Langenegger, Lukas; Chavez, Steven; Hunt, Sean T; Román-Leshkov, Yuriy; Brushett, Fikile R

    2016-08-09

    Electrocatalytic hydrogenation (ECH) is a sustainable pathway for the synthesis of value-added organic compounds, provided affordable catalysts with high activity, selectivity and durability are developed. Here, we synthesize Cu/C, Ni/C, and CuNi/C nanoparticles and compare their performance to Pt/C, Ru/C, PtRu/C for the ECH of hydroxyacetone, a bio-derived feedstock surrogate containing a carbonyl and a hydroxyl functional group. The non-precious metal electrocatalysts show promising conversion-time behavior, product selectivities, and Faradaic efficiencies. Ni/C forms propylene glycol with a selectivity of 89 % (at 80 % conversion), while Cu/C catalyzes ECH (52 % selectivity) and hydrodeoxygenation (HDO, 48 % selectivity, accounting for evaporation). CuNi/C shows increased turnover frequencies but reduced ECH selectivity (80 % at 80 % conversion) as compared to the Ni/C catalyst. Importantly, stability studies show that the non-precious metal catalysts do not leach at operating conditions. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Study of hydrogenation for pulverization of rare earth alloys with Nb for metal hydride electrodes

    International Nuclear Information System (INIS)

    Ferreira, Eliner Affonso

    2013-01-01

    In this work were studied La ,7 Mg 0,3 Al 0,3 Mn 0,4 Co (0.5-x) NbxNi 3.8 (x= 0 - 0.5) and La 0,7 Mg 0,3 Al 0,3 Mn 0.4 Nb (05+x) Co 0,5 Ni (3.8-x) . (x=0.3; 0.5;1.3) alloys for negative electrodes of the Nickel-Metal Hydride batteries. The hydrogenation of the alloys was performed varying pressing of H 2 (2 and 9 bar). The discharge capacity of the nickel-metal hydride batteries were analyzed in the Arbin BT-4 electrical test equipment. The as-cast alloys were analyzed by scanning electron microscopy (SEM), energy dispersive spectroscopy (EDX) and X-Ray diffraction. The increasing Niobium addition in the alloys decreased cycle life and the maximum discharge capacity of the batteries. The maximum discharge capacity was obtained with the La .7 Mg 0.3 Al 0.3 Mn 0,4 Co 0.5 Ni 3.8 (45.36 mAh) and the battery which presented the best performance was La .7 Mg 0.3 Al 0.3 Mn 0.4 Co 0.5 Nb 0.1 Ni 3.8 (44.94 mAh). (author)

  10. Net alkalinity and net acidity 2: Practical considerations

    Science.gov (United States)

    Kirby, C.S.; Cravotta, C.A.

    2005-01-01

    The pH, alkalinity, and acidity of mine drainage and associated waters can be misinterpreted because of the chemical instability of samples and possible misunderstandings of standard analytical method results. Synthetic and field samples of mine drainage having various initial pH values and concentrations of dissolved metals and alkalinity were titrated by several methods, and the results were compared to alkalinity and acidity calculated based on dissolved solutes. The pH, alkalinity, and acidity were compared between fresh, unoxidized and aged, oxidized samples. Data for Pennsylvania coal mine drainage indicates that the pH of fresh samples was predominantly acidic (pH 2.5-4) or near neutral (pH 6-7); ??? 25% of the samples had pH values between 5 and 6. Following oxidation, no samples had pH values between 5 and 6. The Standard Method Alkalinity titration is constrained to yield values >0. Most calculated and measured alkalinities for samples with positive alkalinities were in close agreement. However, for low-pH samples, the calculated alkalinity can be negative due to negative contributions by dissolved metals that may oxidize and hydrolyze. The Standard Method hot peroxide treatment titration for acidity determination (Hot Acidity) accurately indicates the potential for pH to decrease to acidic values after complete degassing of CO2 and oxidation of Fe and Mn, and it indicates either the excess alkalinity or that required for neutralization of the sample. The Hot Acidity directly measures net acidity (= -net alkalinity). Samples that had near-neutral pH after oxidation had negative Hot Acidity; samples that had pH mine drainage treatment can lead to systems with insufficient Alkalinity to neutralize metal and H+ acidity and is not recommended. The use of net alkalinity = -Hot Acidity titration is recommended for the planning of mine drainage treatment. The use of net alkalinity = (Alkalinitymeasured - Aciditycalculated) is recommended with some cautions

  11. Hydrogenation of the rare earth alloys for production negative electrodes of nickel-metal hydride batteries

    International Nuclear Information System (INIS)

    Casini, Julio Cesar Serafim

    2011-01-01

    In this work were studied of La 0.7-x Mg x Pr 0.3 Al 0.3 Mn 0.4 Co 0.5 Ni 3.8 (X = 0 and 0.7) alloys for negative electrodes of the nickel-metal hydride batteries. The hydrogenation of the alloys was performed varying pressing of H 2 (2 and 10 bar) and temperature (room and 500 ℃). The discharge capacity of the nic kel-metal hydride batteries were analyzed in ARBIN BT- 4 electrical test equipment. The as-cast alloys were analyzed by scanning electron microscopy (SEM), energy disperse spectroscopy (EDX) and X-Ray diffraction. The increasing Mg addition in the alloy increases maximum discharge capacity but decrease cycle life of the batteries. The maximum discharge capacity was obtained with the Mg 0.7 Pr 0.3 Al 0.3 Mn 0.4 Co 0.5 Ni 3.8 alloy (60 mAh) and the battery which presented the best performance was La 0.4 Mg 0.3 Pr 0.3 Al 0.3 Mn 0.4 Co 0.5 Ni 3.8 alloy (53 mAh and 150 cycles). The H 2 capability of absorption was diminished for increased Mg addition and no such effect occurs for Mg 0.7 Pr 0.3 Al 0.3 Mn 0.4 Co 0.5 Ni 3.8 alloy. (author)

  12. Chemical composition of modern and fossil hippopotamid teeth and implications for paleoenvironmental reconstructions and enamel formation – Part 2: Alkaline earth elements as tracers of watershed hydrochemistry and provenance

    Directory of Open Access Journals (Sweden)

    I. Ssemmanda

    2012-11-01

    Full Text Available This study demonstrates that alkaline earth elements in enamel of hippopotamids, in particular Ba and Sr, are tracers for water provenance and hydrochemistry in terrestrial settings. The studied specimens are permanent premolar and molar teeth found in modern and fossil lacustrine sediments of the Western Branch of the East African Rift system (Lake Kikorongo, Lake Albert, and Lake Malawi and from modern fluvial environments of the Nile River. Concentrations in enamel vary by two orders of magnitude for Ba (120–9336 μg g−1 as well as for Sr (9–2150 μg g−1. The variations are partially induced during post-mortem alteration and during amelogenesis, but the major contribution originates ultimately from the variable water chemistry in the habitats of the hippopotamids which is controlled by the lithologies and weathering processes in the watershed areas. Amelogenesis causes a distinct distribution of MgO, Ba and Sr in modern and fossil enamel, in that element concentrations increase along profiles from the outer rim towards the enamel–dentin junction by a factor of 1.3–1.9. These elements are well correlated in single specimens, thus suggesting that their distribution is determined by a common, single process, which can be described by closed system Rayleigh crystallization of bioapatite in vivo. Enamel from most hippopotamid specimens has Sr/Ca and Ba/Ca which are typical for herbivores. However, Ba/Sr ranges from 0.1 to 3 and varies on spatial and temporal scales. Thus, Sr concentrations and Ba/Sr in enamel differentiate between habitats having basaltic mantle rocks or Archean crustal rocks as the ultimate sources of Sr and Ba. This provenance signal is modulated by climate change. In Miocene to Pleistocene enamel from the Lake Albert region, Ba/Sr decreases systematically with time from 2 to 0.5. This trend can be correlated with changes in climate from humid to arid, in vegetation from C3 to C4 biomass as well as with increasing

  13. A geological reconnaissance of electrical and electronic waste as a source for rare earth metals.

    Science.gov (United States)

    Mueller, Sandra R; Wäger, Patrick A; Widmer, Rolf; Williams, Ian D

    2015-11-01

    The mining of material resources requires knowledge about geogenic and anthropogenic deposits, in particular on the location of the deposits with the comparatively highest concentration of raw materials. In this study, we develop a framework that allows the establishment of analogies between geological and anthropogenic processes. These analogies were applied to three selected products containing rare earth elements (REE) in order to identify the most concentrated deposits in the anthropogenic cycle. The three identified anthropogenic deposits were characterised according to criteria such as "host rock", "REE mineralisation" and "age of mineralisation", i.e. regarding their "geological" setting. The results of this characterisation demonstrated that anthropogenic deposits have both a higher concentration of REE and a longer mine life than the evaluated geogenic deposit (Mount Weld, Australia). The results were further evaluated by comparison with the geological knowledge category of the United Nations Framework Classification for Fossil Energy and Mineral Reserves and Resources 2009 (UNFC-2009) to determine the confidence level in the deposit quantities. The application of our approach to the three selected cases shows a potential for recovery of REE in anthropogenic deposits; however, further exploration of both potential and limitations is required. Copyright © 2015 The Authors. Published by Elsevier Ltd.. All rights reserved.

  14. Metal oxide nanoparticles embedded in rare-earth matrix for low temperature thermal imaging applications

    Science.gov (United States)

    Rauwel, E.; Galeckas, A.; Rauwel, P.; Hansen, P.-A.; Wragg, D.; Nilsen, O.; Fjellvåg, H.

    2016-05-01

    We report on the synthesis and characterization of nanocomposites comprising of oxide nanoparticles (NPs) (ZnO, CaHfO3 and SrHfO3) embedded in rare-earth oxide (Eu2O3, Nd2O3) matrices by using atomic layer deposition. The different oxide surroundings allowed highlighting the role of interface defects in the recombination processes of charge carriers in the NPs. We provide a comparative analysis of optical absorption and emission properties of the constituents: thin films, free-standing and embedded NPs, and discuss the intrinsic and extrinsic nature of the luminescent sites in different nanocomposites. The photoluminescence properties of ZnO nanocomposites are clearly distinguishable from those of free-standing NPs in terms of overall quantum efficiency as well as intensity ratios of the characteristic blue and green emission bands associated with radiative transitions involving excitons and intrinsic defects, respectively. In contrast to PL enhancement due to surface-passivating effect of the surrounding media in the case of ZnO nanocomposites, the embedment of hafnia perovskites into oxide matrices generally leads to suppressed luminescence in the visible range, thus confirming its extrinsic, surface-defect related nature.

  15. Effect of metallic nanoparticle fillers on the thermal conductivity of diatomaceous earth

    Energy Technology Data Exchange (ETDEWEB)

    Diallo, Mouhamad S. [Department of Liberal Arts, Des Moines Area Community College, Des Moines, IA 50314 (United States); Department of Mechanical Engineering, Iowa State University, Ames, IA 50011 (United States); Srinivasan, Srilok [Department of Mechanical Engineering, Iowa State University, Ames, IA 50011 (United States); Chang, Boyce [Department of Materials Science and Engineering, Iowa State University, Ames, IA 50011 (United States); Ghosh, Suvojit [Department of Engineering Physics, McMaster University, Hamilton, ON L8S4L8 (Canada); Balasubramanian, Ganesh, E-mail: bganesh@iastate.edu [Department of Mechanical Engineering, Iowa State University, Ames, IA 50011 (United States)

    2016-10-23

    Thermal conductivity of solid nanoparticles (aluminum) in a nanoporous solid matrix (diatomaceous earth) is examined to understand the effect of conductive fillers on the thermal properties of a porous material. We find that thermal conductivity is strongly dependent on load applied to prepare the mixture compacts, while porosity is influenced by the composition of the mixture. The addition of nanoparticles contributes to limited increases in thermal conductivity of the mixture by (1) increasing contact area between the mixture constituents and (2) reduction of porosity that leads to enhanced solid–gas coupling contribution. Thermal conductivity increases exponentially with external gas pressures due to the coupling effect between the solid particles and the entrapped air. - Highlights: • Thermal conductivity k of DE/AlNP mixture is more dependent on compaction than on Al concentration. • Nanoparticles affect k of DE by increase in solid contact area rather than by its effect on porosity. • When air content in mixture rises, k increases with gas pressures due to solid–gas coupling effect.

  16. Effect of metallic nanoparticle fillers on the thermal conductivity of diatomaceous earth

    International Nuclear Information System (INIS)

    Diallo, Mouhamad S.; Srinivasan, Srilok; Chang, Boyce; Ghosh, Suvojit; Balasubramanian, Ganesh

    2016-01-01

    Thermal conductivity of solid nanoparticles (aluminum) in a nanoporous solid matrix (diatomaceous earth) is examined to understand the effect of conductive fillers on the thermal properties of a porous material. We find that thermal conductivity is strongly dependent on load applied to prepare the mixture compacts, while porosity is influenced by the composition of the mixture. The addition of nanoparticles contributes to limited increases in thermal conductivity of the mixture by (1) increasing contact area between the mixture constituents and (2) reduction of porosity that leads to enhanced solid–gas coupling contribution. Thermal conductivity increases exponentially with external gas pressures due to the coupling effect between the solid particles and the entrapped air. - Highlights: • Thermal conductivity k of DE/AlNP mixture is more dependent on compaction than on Al concentration. • Nanoparticles affect k of DE by increase in solid contact area rather than by its effect on porosity. • When air content in mixture rises, k increases with gas pressures due to solid–gas coupling effect.

  17. A volatile topic: Parsing out the details of Earth's formation through experimental metal-silicate partitioning of volatile and moderately volatile elements

    Science.gov (United States)

    Mahan, B. M.; Siebert, J.; Blanchard, I.; Badro, J.; Sossi, P.; Moynier, F.

    2017-12-01

    Volatile and moderately volatile elements display different volatilities and siderophilities, as well as varying sensitivity to thermodynamic controls (X, P, T, fO2) during metal-silicate differentiation. The experimental determination of the metal-silicate partitioning of these elements permits us to evaluate processes controlling the distribution of these elements in Earth. In this work, we have combined metal-silicate partitioning data and results for S, Sn, Zn and Cu, and input these characterizations into Earth formation models. Model parameters such as source material, timing of volatile delivery, fO2 path, and degree of impactor equilibration were varied to encompass an array of possible formation scenarios. These models were then assessed to discern plausible sets of conditions that can produce current observed element-to-element ratios (e.g. S/Zn) in the Earth's present-day mantle, while also satisfying current estimates on the S content of the core, at no more than 2 wt%. The results of our models indicate two modes of accretion that can maintain chondritic element-to-element ratios for the bulk Earth and can arrive at present-day mantle abundances of these elements. The first mode requires the late addition of Earth's entire inventory of these elements (assuming a CI-chondritic composition) and late-stage accretion that is marked by partial equilibration of large impactors. The second, possibly more intuitive mode, requires that Earth accreted - at least initially - from volatile poor material preferentially depleted in S relative to Sn, Zn, and Cu. From a chemical standpoint, this source material is most similar to type I chondrule rich (and S poor) materials (Hewins and Herzberg, 1996; Mahan et al., 2017; Amsellem et al., 2017), such as the metal-bearing carbonaceous chondrites.

  18. Synthesis, Crystal Structure, and Nonlinear Optical Properties of a New Alkali and Alkaline Earth Metal Carbonate RbNa5Ca5(CO38

    Directory of Open Access Journals (Sweden)

    Qiaoling Chen

    2016-12-01

    Full Text Available A new nonlinear optical (NLO material, RbNa5Ca5(CO38, has been synthesized by the hydrothermal method. The crystal structure is established by single-crystal X-ray diffraction. RbNa5Ca5(CO38 crystallizes in the hexagonal crystal system with space group P63mc (No. 186. The structure of RbNa5Ca5(CO38 can be described as the adjacent infinite [CaCO3]∞ layers lying in the a-b plane bridged through standing-on-edge [CO3] groups by sharing O atoms (two-fold coordinated to build a framework with four types of tunnels running through the b-axis. The Rb, Na, and [Na0.67Ca0.33] atoms reside in these tunnels, respectively. The measurement of second harmonic generation (SHG indicated that RbNa5Ca5(CO38 is a phase-matchable material, which had SHG responses of approximately 1×KH2PO4 (KDP. Meanwhile, the results from the UV-VIS diffuse reflectance spectroscopy study of the powder samples indicated that the UV cut-off edges of RbNa5Ca5(CO38 is about 203 nm.

  19. Olivine/melt transition metal partitioning, melt composition, and melt structure—Melt polymerization and Qn-speciation in alkaline earth silicate systems

    Science.gov (United States)

    Mysen, Bjorn O.

    2008-10-01

    The two most abundant network-modifying cations in magmatic liquids are Ca 2+ and Mg 2+. To evaluate the influence of melt structure on exchange of Ca 2+ and Mg 2+ with other geochemically important divalent cations ( m-cations) between coexisting minerals and melts, high-temperature (1470-1650 °C), ambient-pressure (0.1 MPa) forsterite/melt partitioning experiments were carried out in the system Mg 2SiO 4-CaMgSi 2O 6-SiO 2 with ⩽1 wt% m-cations (Mn 2+, Co 2+, and Ni 2+) substituting for Ca 2+ and Mg 2+. The bulk melt NBO/Si-range ( NBO/Si: nonbridging oxygen per silicon) of melt in equilibrium with forsterite was between 1.89 and 2.74. In this NBO/Si-range, the NBO/Si(Ca) (fraction of nonbridging oxygens, NBO, that form bonds with Ca 2+, Ca 2+- NBO) is linearly related to NBO/Si, whereas fraction of Mg 2+- NBO bonds is essentially independent of NBO/Si. For individual m-cations, rate of change of KD( m-Mg) with NBO/Si(Ca) for the exchange equilibrium, mmelt + Mg olivine ⇌ molivine + Mg melt, is linear. KD( m-Mg) decreases as an exponential function of increasing ionic potential, Z/ r2 ( Z: formal electrical charge, r: ionic radius—here calculated with oxygen in sixfold coordination around the divalent cations) of the m-cation. The enthalpy change of the exchange equilibrium, Δ H, decreases linearly with increasing Z/ r2 [Δ H = 261(9)-81(3)· Z/ r2 (Å -2)]. From existing information on (Ca,Mg)O-SiO 2 melt structure at ambient pressure, these relationships are understood by considering the exchange of divalent cations that form bonds with nonbridging oxygen in individual Qn-species in the melts. The negative ∂ KD( m-Mg) /∂( Z/ r2) and ∂(Δ H)/∂( Z/ r2) is because increasing Z/ r2 is because the cations forming bonds with nonbridging oxygen in increasingly depolymerized Qn-species where steric hindrance is decreasingly important. In other words, principles of ionic size/site mismatch commonly observed for trace and minor elements in crystals, also govern their solubility behavior in silicate melts.

  20. Ketone deprotonation mediated by mono- and heterobimetallic alkali and alkaline earth metal amide bases: structural characterization of potassium, calcium, and mixed potassium-calcium enolates.

    Science.gov (United States)

    He, Xuyang; Noll, Bruce C; Beatty, Alicia; Mulvey, Robert E; Henderson, Kenneth W

    2004-06-23

    Potassium, calcium, and mixed potassium-calcium amide combinations have been shown to be efficient reagents in enolization reactions, and a set of representative intermediate mono- and heterobimetallic enolates have been successfully isolated and crystallographically characterized.

  1. Catalytic oxidation of soot over alkaline niobates

    International Nuclear Information System (INIS)

    Pecchi, G.; Cabrera, B.; Buljan, A.; Delgado, E.J.; Gordon, A.L.; Jimenez, R.

    2013-01-01

    Highlights: ► No previous reported studies about alkaline niobates as catalysts for soot oxidation. ► NaNbO 3 and KNbO 3 perovskite-type oxides show lower activation energy than other lanthanoid perovskite-type oxides. ► The alkaline niobate does not show deactivation by metal loss. - Abstract: The lack of studies in the current literature about the assessment of alkaline niobates as catalysts for soot oxidation has motivated this research. In this study, the synthesis, characterization and assessment of alkaline metal niobates as catalysts for soot combustion are reported. The solids MNbO 3 (M = Li, Na, K, Rb) are synthesized by a citrate method, calcined at 450 °C, 550 °C, 650 °C, 750 °C, and characterized by AAS, N 2 adsorption, XRD, O 2 -TPD, FTIR and SEM. All the alkaline niobates show catalytic activity for soot combustion, and the activity depends basically on the nature of the alkaline metal and the calcination temperature. The highest catalytic activity, expressed as the temperature at which combustion of carbon black occurs at the maximum rate, is shown by KNbO 3 calcined at 650 °C. At this calcination temperature, the catalytic activity follows an order dependent on the atomic number, namely: KNbO 3 > NaNbO 3 > LiNbO 3 . The RbNbO 3 solid do not follow this trend presumably due to the perovskite structure was not reached. The highest catalytic activity shown by of KNbO 3 , despite the lower apparent activation energy of NaNbO 3 , stress the importance of the metal nature and suggests the hypothesis that K + ions are the active sites for soot combustion. It must be pointed out that alkaline niobate subjected to consecutive soot combustion cycles does not show deactivation by metal loss, due to the stabilization of the alkaline metal inside the perovskite structure.

  2. One-Electron Theory of Metals. Cohesive and Structural Properties

    DEFF Research Database (Denmark)

    Skriver, Hans Lomholt

    The work described in the report r.nd the 16 accompanying publications is based upon a one-electron theory obtained within the local approximation to density-functional theory, and deals with the ground state of metals as obtained from selfconsistent electronic-structure calculations performed...... by means of the Linear Muffin-Tin Orbital (LMTO) method. It has been the goal of the work to establish how well this one-electron approach describes physical properties such as the crystal structures of the transition metals, the structural phase transitions in the alkali, alkaline earth, and rare earth...

  3. Surface energy and work function of elemental metals

    DEFF Research Database (Denmark)

    Skriver, Hans Lomholt; Rosengaard, N. M.

    1992-01-01

    We have performed an ab initio study of the surface energy and the work function for six close-packed surfaces of 40 elemental metals by means of a Green’s-function technique, based on the linear-muffin-tin-orbitals method within the tight-binding and atomic-sphere approximations. The results...... are in excellent agreement with a recent full-potential, all-electron, slab-supercell calculation of surface energies and work functions for the 4d metals. The present calculations explain the trend exhibited by the surface energies of the alkali, alkaline earth, divalent rare-earth, 3d, 4d, and 5d transition...

  4. Environmentally Friendly Economical Sequestration of Rare Earth Metals from Geothermal Waters

    Energy Technology Data Exchange (ETDEWEB)

    Stull, Dean P. [Tusaar Corp., Lafayette, CO (United States)

    2016-05-26

    The purpose of this work was to complete a proof of concept study to apply and validate a novel method developed by Tusaar for the capture and recovery of rare earth elements (known as REEs) and other critical and valuable elements from geothermal waters produced from deep within the earth. Geothermal water provides heat for power production at many geothermal power plants in the western United States. The target elements, the REEs, are vital to modern day electronics, batteries, motors, automobiles and many other consumer favorites and necessities. Currently there are no domestic sources of REEs while domestic and international demand for the products they are used in continues to rise. Many of the REEs are considered “strategically” important. A secure supply of REEs in the USA would benefit consumers and the country at large. A new method to recover these REEs from geothermal waters used at existing geothermal power plants around the country is a high priority and would benefit consumers and the USA. The result of this project was the successful development and demonstration of an integrated process for removal and recovery of the REEs from synthetic geothermal brines on a small laboratory scale. The work included preparation of model geothermal brines to test, selection of the most effective proprietary sorbent media to capture the REEs and testing of the media under a variety of potential operating conditions. Geothermal brines are generally very high in salt content and contain a wide range of elements and anions associated with the rock layers from which they are produced. Processing the geothermal water is difficult because it is corrosive and the dissolved minerals in the water precipitate easily once the temperature and pressure change. No commercial technologies have been shown to be effective or robust enough under these geothermal brine conditions to be commercially viable for removal of REEs. Technologies including ion exchange, traditional

  5. Evaluating the role of metal ions in the bathochromic and hyperchromic responses of cyanidin derivatives in acidic and alkaline pH.

    Science.gov (United States)

    Sigurdson, G T; Robbins, R J; Collins, T M; Giusti, M M

    2016-10-01

    In many food products, colorants derived from natural sources are increasingly popular due to consumer demand. Anthocyanins are one class of versatile and abundant naturally occurring chromophores that produce different hues in nature, especially with metal ions and other copigments assisting. The effects of chelation of metal ions (Mg(2+), Al(3+), Cr(3+), Fe(3+), and Ga(3+)) in factorial excesses to anthocyanin concentration (0-500×) on the spectral characteristics (380-700nm) of cyanidin and acylated cyanidin derivatives were evaluated to better understand the color evolution of anthocyanin-metal chelates in pH 3-8. In all pH, anthocyanins exhibited bathochromic and hyperchromic shifts. Largest bathochromic shifts most often occurred in pH 6; while largest hyperchromic shifts occurred in pH 5. Divalent Mg(2+) showed no observable effect on anthocyanin color while trivalent metal ions caused bathochromic shifts and hue changes. Generally, bathochromic shifts on anthocyanins were greatest with more electron rich metal ions (Fe(3+)≈Ga(3+)>Al(3+)>Cr(3+)). Copyright © 2016 Elsevier Ltd. All rights reserved.

  6. Optimization of alkaline protease production from Pseudomonas ...

    African Journals Online (AJOL)

    PRECIOUS

    2009-12-15

    Dec 15, 2009 ... the metal ions tested. Key words: Alkaline protease, casein agar, meat waste contaminated soil, Pseudomonas fluorescens. INTRODUCTION. Proteases are the most important industrial enzymes that execute a wide variety of functions and have various important biotechnological applications (Mohen et al.,.

  7. Anodes for alkaline electrolysis

    Science.gov (United States)

    Soloveichik, Grigorii Lev [Latham, NY

    2011-02-01

    A method of making an anode for alkaline electrolysis cells includes adsorption of precursor material on a carbonaceous material, conversion of the precursor material to hydroxide form and conversion of precursor material from hydroxide form to oxy-hydroxide form within the alkaline electrolysis cell.

  8. Alkaline "Permanent" Paper.

    Science.gov (United States)

    Pacey, Antony

    1991-01-01

    Discussion of paper manufacturing processes and their effects on library materials focuses on the promotion of alkaline "permanent" paper, with less acid, by Canadian library preservation specialists. Standards for paper acidity are explained; advantages of alkaline paper are described, including decreased manufacturing costs; and…

  9. Effect of water on metal-silicate partitioning and hydrogen incorporation in the core of the Earth and Mars

    Science.gov (United States)

    Clesi, Vincent; Bouhifd, Mohamed Ali; Bolfan-Casanova, Nathalie; Manthilake, Geeth; Andrault, Denis; Raepsaet, Caroline; Bureau, Hélène; Khodja, Hicham

    2017-04-01

    The accretion of planets from primordial materials and their subsequent differentiation to form a core and a mantle are fundamental questions in terrestrial and solar system. Many of the questions about the processes are still open and much debated. For example, could the presence of water during the metallic phase segregation affect the planet-accretion models? The existing studies on the elemental metal-silicate partitioning under hydrous conditions are limited to 1 GPa [5,6] well below the likely conditions prevailing during core formation on Earth and Mars. In the present study we use multi-anvil technique aver a range of P, T, fO_2 and water content (5 - 20 GPa, 2000 - 2500 K, from 1 to 5 log units below the iron-wüstite buffer, and for XH2O varying from 500 ppm to 1.5 wt.{%}). The present experimental results show that except for Fe, there is no effect of water on the partitioning of moderately siderophile elements. It allowed us to build consistent models of planetary accretion from reducing to oxidized conditions. Furthermore, for the range of water concentrations studied, there is no evidence of an important hydrogen incorporation into planetary cores, thus making unlikely for hydrogen to be a major light element of the core as previsously assumed [7]. [1] Morbidelli et al. (2000) Meteoritics & Planetary Science 1320, 1309-1320. [2] Marty (2012) EPSL 313-314, 56-66. [3] O'Brien et al. (2014) Icarus 239, 74-84. [4] Sarafian et al. (2014) Science 346, 623-626. [5] Righter and Drake (1999) EPSL 171, 383-399. [6] Jana and Walker (1999) GCA 63, 2299-2310. [7] Okuchi, T. (1997) Science 278, 1781-1784

  10. Extractive properties towards rare-earth metal ions of calix[4]arenes substituted at the narrow rim by phosphoryl and amide groups

    International Nuclear Information System (INIS)

    Yaftian, M.R.; Burgard, M.; Wieser, C.; Dieleman, C.B.; Matt, D.

    1998-01-01

    The extractive properties of the cone and partial-cone isomers of 5,11,17,23-tetra-tert-butyl-25,27-bis(diethylcarbamoylmethoxy)-26,28-bis (diphenylphosphinoylmethoxy)calix[4]arene (cone-1 and partial-cone-1) in 1,2-dichloroethane towards rare-earth metal ions in nitrate media at 25 C were investigated. The analysis of the extraction equilibrium obtained from a mixture of four rare-earths (La, Eu, Er and Y) revealed that the extracted species have a 1:1 metal/ligand ratio for both ligands. The intra-group separation efficiencies of the ligands have been evaluated in a competitive extraction process of 11 rare-earth metal ions (La, Pr, Nd, Sm, Eu, Gd, Dy, Ho, Er, Yb and Y). Significantly higher extractive properties were found for cone-1 with respect to partial-cone-1, suggesting the crucial role of the phosphoryl groups in the complexation of the rare-earth ions

  11. Effect of Solidification Rate and Rare Earth Metal Addition on the Microstructural Characteristics and Porosity Formation in A356 Alloy

    Directory of Open Access Journals (Sweden)

    M. G. Mahmoud

    2017-01-01

    Full Text Available The present study was performed on A356 alloy with the main aim of investigating the effects of La and Ce additions to 356 alloys (with and without 100 ppm Sr on the microstructure and porosity formation in these alloys. Measured amounts of La, Ce, and Sr were added to the molten alloy. The results showed that, in the absence of Sr, addition of La and Ce leads to an increase in the nucleation temperature of the α-Al dendritic network with a decrease in the temperature of the eutectic Si precipitation, resulting in increasing the freezing range. Addition of 100 ppm Sr results in neutralizing these effects. The presence of La or Ce in the casting has a minor effect on eutectic Si modification, in spite of the observed depression in the eutectic temperature. It should be noted that Ce is more effective than La as an alternate modifying agent. According to the atomic radius ratio, rLa/rSi is 1.604 and rCe/rSi is 1.559, theoretically, which shows that Ce is relatively more effective than La. The present findings confirm that Sr is the most dominating modification agent. Interaction between rare earth (RE metals and Sr would reduce the effectiveness of Sr. Although modification with Sr causes the formation of shrinkage porosity, it also reacts with RE-rich intermetallics, resulting in their fragmentation.

  12. Novel synergism by complex ligands in solvent extraction of rare earth metals(III) with β-diketones

    International Nuclear Information System (INIS)

    Imura, H.; Ebisawa, M.; Kato, M.; Ohashi, K.

    2006-01-01

    The extraction of rare earth metals(III) (RE) with hexafluoroacetylacetone (Hhfa) and 2-thenoyltrifluoroacetone (Htta) was studied in the presence of some cobalt(III) chelates such as tris(acetylacetonato)cobalt(III), tris(4-isopropyltropolonato)cobalt(III), tris(8-quinolinolato)cobalt(III), tris(8-quinolinethiolato)cobalt(III), and tris(diethyldithiocarbamato)cobalt(III) in benzene or toluene. The synergistic enhancement of the extraction of RE, especially of lanthanum(III) was found in all the systems. Therefore, those cobalt(III) chelates act as synergists or complex ligands. The equilibrium analysis and IR spectroscopic study were performed to evaluate the present synergistic mechanism. It was found that the RE-β-diketone chelates form 1:1 adducts, i.e., binuclear complexes, with the cobalt(III) chelates in the organic phase. The formation constants (β s,1 ) were determined and compared with those reported previously. The spectroscopic studies demonstrated that adducts have two different structures with inner- and outer-sphere coordination. In the former the cobalt(III) chelate directly coordinated to the RE ion and displaced the coordinated water molecules. In the latter the hydrogen-bonding was formed between the coordinating oxygen or sulfur atoms of cobalt(III) chelate and hydrogen atoms of the coordinated water molecules in the RE-β-diketone chelate. The types of the adducts are mainly due to the steric factors of the RE-β-diketone chelates and the cobalt(III) chelates

  13. Isostructural crystal hydrates of rare-earth metal oxalates at high pressure. From strain anisotropy to dehydration

    Energy Technology Data Exchange (ETDEWEB)

    Zakharov, Boris A.; Matvienko, Alexander A. [Russian Academy of Ssciences, Novosibirsk (Russian Federation). Inst. of Solid State Chemistry and Mechanochemistry; Novosibirsk State Univ. (Russian Federation); Gribov, Pavel A.; Boldyreva, Elena V. [Russian Academy of Ssciences, Novosibirsk (Russian Federation). Inst. of Solid State Chemistry and Mechanochemistry

    2017-07-01

    The crystal structures of a series of isostructural rare-earth metal oxalates, (REE){sub 2}(C{sub 2}O{sub 4}){sub 3}.10H{sub 2}O (REE=Sm, Y) and a 1:1 YSm(C{sub 2}O{sub 4}){sub 3}.10H{sub 2}O solid solution, have been studied in situ by single-crystal X-ray diffraction and optical microscopy. The structures were followed from ambient pressure to 6 GPa in a DAC with paraffin as the hydrostatic fluid. Bulk compressibilities, anisotropic lattice strain on hydrostatic compression and the corresponding changes in the atomic coordinates were followed. Discontinuities/sharp changes in the slopes of the pressure dependences of volume and selected cell parameters have been observed for yttrium-containing salts at ∝3.5 GPa. This may be related to the re-distribution of water molecules within the crystal structure. Y{sub 2}(C{sub 2}O{sub 4}){sub 3}.10H{sub 2}O undergoes a partial dehydration at 1 GPa, forming monoclinic Y{sub 2}(C{sub 2}O{sub 4}){sub 3}.6H{sub 2}O as single-crystalline inclusions in the original phase.

  14. A novel fluorescent probe (dtpa-bis(cytosine)) for detection of Eu(III) in rare earth metal ions

    Science.gov (United States)

    Yang, Fan; Ren, Peipei; Liu, Guanhong; Song, Youtao; Bu, Naishun; Wang, Jun

    2018-03-01

    In this paper, a novel fluorescent probe, dtpa-bis(cytosine), was designed and synthesized for detecting europium (Eu3 +) ion. Upon addition of Eu3 + ions into the dtpa-bis(cytosine) solution, the fluorescence intensity can strongly be enhanced. Conversely, adding other rare earth metal ions, such as Y3 +, Ce3 +, Pr3 +, Nd3 +, Sm3 +, Gd3 +, Tb3 +, Dy3 +, Ho3 +, Er3 +, Yb3 + and Lu3 +, into dtpa-bis(cytosine) solution, the fluorescence intensity is decreased slightly. Some parameters affecting the fluorescence intensity of dtpa-bis(cytosine) solution in the presence of Eu3 + ions were investigated, including solution pH value, Eu3 + ion concentration and interfering substances. The detection mechanism of Eu3 + ion using dtpa-bis(cytosine) as fluorescent probe was proposed. Under optimum conditions, the fluorescence emission intensities of EuIII-dtpa-bis(cytosine) at 375 nm in the concentration range of 0.50 × 10- 5 mol • L- 1-5.00 × 10- 5 mol • L- 1 of Eu3 + ion display a better linear relationship. The limit of detection (LOD) was determined as 8.65 × 10- 7 mol • L- 1 and the corresponding correlation coefficient (R2) of the linear equation is 0.9807. It is wished that the proposed method could be applied for sensitively and selectively detecting Eu3 + ion.

  15. IR and Raman spectroscopic studies of sol–gel derived alkaline ...

    Indian Academy of Sciences (India)

    The extent of network depolymerization in the porous glass is higher at the same content of alkaline earth oxide compared to the bulk glass. ... ral properties. Silicate glasses that contain calcium and phos- phorus are known to ... guration of silica glasses modified by alkaline earth oxides. (MgO, CaO) prepared by the sol–gel ...

  16. Iron(II) phthalocyanine covalently functionalized graphene as a highly efficient non-precious-metal catalyst for the oxygen reduction reaction in alkaline media

    International Nuclear Information System (INIS)

    Liu, Ying; Wu, Yan-Ying; Lv, Guo-Jun; Pu, Tao; He, Xing-Quan; Cui, Li-Li

    2013-01-01

    Graphical abstract: The fabricated FePc-Gr catalyst for ORR exhibited high activity, favoring a direct 4-electron process, good stability and selectivity, all of which should be attributed to its high conductivity, the synergistic effect between FePc and graphene, as well as the formation of stable FePc-Gr composite through covalent bonding and π–π interaction. - Abstract: A novel iron(II) phthalocyanine covalently modified graphene (FePc-Gr) was synthesized by reduction of the product obtained through an amidation reaction between carboxyl-functionalized graphene oxide (CFGO) and iron(II) tetra-aminophthalocyanine (FeTAPc). The FePc-Gr hybird was characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), Raman spectroscopy (RS) and X-ray photoelectron spectroscopy (XPS), respectively. The electrocatalytic properties of FePc-Gr toward the oxygen reduction reaction (ORR) were evaluated using cyclic voltammetry (CV) and linear sweep voltammetry methods. The peak potential of the ORR on the FePc-Gr catalyst was found to be about −0.12 V vs. SCE in 0.1 M NaOH solution, which was 180 and 360 mV more positive than that on FeTAPc and bare GCE, respectively. The rotating disk electrode (RDE) and rotating ring disk electrode (RRDE) measurements revealed that the ORR mechanism was nearly via a direct four-electron pathway to water on FePc-Gr. The current still remained 83.5% of its initial after chronoamperometric test for 10,000 s. Nevertheless, Pt/C catalyst only retained 40.5% of its initial current. The peak potential and peak current changed slightly when 3 M methanol was introduced. So the FePc-Gr composite catalyst for ORR exhibited high activity, good stability and methanol-tolerance, which could be used as a promising Pt-free catalyst for ORR in alkaline direct methanol fuel cell (DMFC)

  17. Alkaline battery operational methodology

    Science.gov (United States)

    Sholklapper, Tal; Gallaway, Joshua; Steingart, Daniel; Ingale, Nilesh; Nyce, Michael

    2016-08-16

    Methods of using specific operational charge and discharge parameters to extend the life of alkaline batteries are disclosed. The methods can be used with any commercial primary or secondary alkaline battery, as well as with newer alkaline battery designs, including batteries with flowing electrolyte. The methods include cycling batteries within a narrow operating voltage window, with minimum and maximum cut-off voltages that are set based on battery characteristics and environmental conditions. The narrow voltage window decreases available capacity but allows the batteries to be cycled for hundreds or thousands of times.

  18. Aerosol synthesis and electrochemical analysis of niobium mixed-metal oxides for the ethanol oxidation reaction in acid and alkaline electrolyte

    Science.gov (United States)

    Konopka, Daniel A.

    Direct ethanol fuel cells are especially important among emerging electrochemical power systems with the potential to offset a great deal of the energy demand currently met through the use of fossil fuels. Ethanol can be refined from petroleum sources or attained from renewable biomass, and is more easily and safely stored and transported than hydrogen, methanol or gasoline. The full energy potential of ethanol in fuel cells can only be realized if the reaction follows a total oxidation pathway to produce CO2. This must be achieved by the development of advanced catalysts that are electrically conductive, stable in corrosive environments, contain a high surface area on which the reaction can occur, and exhibit a bi-functional effect for the ethanol oxidation reaction (EOR). The latter criterion is achievable in mixed-metal systems. Platinum is an effective metal for catalyzing surface reactions of many adsorbates and is usually implemented in the form of Pt nanoparticles supported on inexpensive carbon. This carbon is believed to be neutral in the catalysis of Pt. Instead, carbon can be replaced with carefully designed metals and metal oxides as co-catalysis or support structures that favorably alter the electronic structure of Pt slightly through a strong metal support interaction, while also acting as an oxygen source near adsorbates to facilitate the total oxidation pathway. Niobium mixed-metal-oxides were explored in this study as bi-functional catalyst supports to Pt nanoparticles. We developed a thermal aerosol synthesis process by which mesoporous powders of mixed-metal-oxides decorated with Pt nanoparticles could be obtained from liquid precursors within ˜5 seconds or less, followed by carefully refined chemical and thermal post-treatments. Exceptionally high surface areas of 170--180m2/g were achieved via a surfactant-templated 3D wormhole-type porosity, comparable on a per volume basis to commercial carbon blacks and high surface area silica supports

  19. Separation of rare earths and other valuable metals from deep-eutectic solvents: a new alternative for the recycling of used NdFeB magnets

    OpenAIRE

    Riano, Sofia; Petranikova, Martina; Onghena, Bieke; Vander Hoogerstraete, Tom; Banerjee, Dipanjan; Foreman, Mark R. St J.; ekberg, christian; BINNEMANS, Koen

    2017-01-01

    International audience; Deep-eutectic solvents (DESs) are used as a promising alternative to aqueous solutions for the recovery of valuable metals from NdFeB magnets. A deep-eutectic solvent based on choline chloride and lactic acid (molar ratio 1 : 2) was used for the leaching of rare earths and other metals from NdFeB magnets. A process for the separation of Fe, B and Co from Nd and Dy in the deep-eutectic solvent was developed by using the ionic liquid tricaprylmethylammonium thiocyanate (...

  20. Metal Borohydrides synthesized from metal borides and metal hydrides

    DEFF Research Database (Denmark)

    Sommer, Sanna

    2014-01-01

    Metal Borohydrides Synthesized from Metal Borides and Metal Hydrides Alexander Fogha, Sanna Sommera, Kasper T. Møllera, T. R. Jensena aCenter for Materials Crystallography (CMC), Interdisciplinary Nanoscience Center (iNANO) and Chemistry Department, Aarhus University, Langelandsgade 140, DK-8000...... Aarhus C, Denmark email: gallafogh@hotmail.com / sanna-sommer@hotmail.com Magnesium boride, MgB2, ball milled with MH (M = Li, Na, Ca) followed by hydrogenation under high hydrogen pressure, readily forms the corresponding metal borohydrides, M(BH4)x (M = Li, Na, Ca) and MgH2 according to reaction scheme...... and Ca(BH4)2, respectively [3,4]. An attempt to synthesize alkali and alkaline earth metal borohydrides from various borides by ball milling under high hydrogen pressure is presented here. MgB2, AlB2 and CaB6 have been milled with MHx (M = Li, Na, Mg, Ca) at p(H2) = 110 bar for 24 hours. All samples were...