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Sample records for alkaline earth cations

  1. Alkaline earth cation extraction from acid solution

    Science.gov (United States)

    Dietz, Mark; Horwitz, E. Philip

    2003-01-01

    An extractant medium for extracting alkaline earth cations from an aqueous acidic sample solution is described as are a method and apparatus for using the same. The separation medium is free of diluent, free-flowing and particulate, and comprises a Crown ether that is a 4,4'(5')[C.sub.4 -C.sub.8 -alkylcyclohexano]18-Crown-6 dispersed on an inert substrate material.

  2. 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,…

  3. Tryptophan fluorescence quenching by alkaline earth metal cations in deionized bacteriorhodopsin.

    Science.gov (United States)

    Wang, G; Wang, A J; Hu, K S

    2000-12-01

    Tryptophan quenching by the addition of alkaline earth metal cations to deionized bacteriorhodopsin suspensions was determined. The results show that the addition of cation primarily quenches fluorescence from surface tryptophan residues. The quenched intensity exhibits a 1/R dependence, where R is the ionic radius of the corresponding metal ion. This observation results from a stronger energy transfer coupling between the tryptophan and the retinal. The membrane curvature may be involved as a result of cations motion and correlated conformational changes. PMID:11332888

  4. Non-covalent (iso)guanosine-based ionophores for alkali(ne earth) cations

    NARCIS (Netherlands)

    Leeuwen, van Fijs W.B.; Davis, Jeffery T.; Verboom, Willem; Reinhoudt, David N.

    2006-01-01

    Different (iso)guanosine-based self-assembled ionophores give distinctly different results in extraction experiments with alkali(ne earth) cations. A lipophilic guanosine derivative gives good extraction results for K+, Rb+, Ca2+, Sr2+, and Ba2+ and in competition experiments it clearly favors the d

  5. Vibrational study of isolated 18-crown-6 ether complexes with alkaline-earth metal cations

    NARCIS (Netherlands)

    Gamez, F.; Hurtado, P.; Martinez-Haya, B.; G. Berden,; Oomens, J.

    2011-01-01

    Laser infrared multiple photon dissociation (IRMPD) spectroscopy has been employed to probe the C-O and C-C stretching vibrational modes of 18-crown-6 ether (18c6) complexes with alkaline-earth metals (Mg(2+), Ca(2+). Sr(2+) and Ba(2+)) stored in the cell of a Fourier Transform Ion Cyclotron Resonan

  6. Vibrational study of isolated 18-crown-6 ether complexes with alkaline-earth metal cations

    NARCIS (Netherlands)

    F. Gámez; P. Hurtado; B. Martínez-Haya; G. Berden; J. Oomens

    2011-01-01

    Laser infrared multiple photon dissociation (IRMPD) spectroscopy has been employed to probe the C-O and C-C stretching vibrational modes of 18-crown-6 ether (18c6) complexes with alkaline-earth metals (Mg2+, Ca2+, Sr2+ and Ba2+) stored in the cell of a Fourier Transform Ion Cyclotron Resonance mass

  7. Preparation of decarboxylic-functionalized weak cation exchanger and application for simultaneous separation of alkali, alkaline earth and transition metals.

    Science.gov (United States)

    Peng, Yahui; Gan, Yihui; He, Chengxia; Yang, Bingcheng; Guo, Zhimou; Liang, Xinmiao

    2016-06-01

    A novel weak cation exchanger (WCX) with dicarboxyl groups functionalized has been developed by clicking mercaptosuccinic acid onto silica gel. The simple synthesis starts with modification of silica gel with triethoxyvinylsilane, followed by efficient coupling vinyl-bonded silica with mercaptosuccinic acid via a "thiol-ene" click reaction. The obtained WCX demonstrated good separation and high selectivity towards common metals. Simultaneous separation of 10 alkali, alkaline earth and transition metals was achieved within 12min. Ion exchange and complex mechanism dominates the separation process. Its utility was demonstrated for determination of metals in tap water. PMID:27130093

  8. Structural criteria for the rational design of selective ligands. Extension of the MM3 force field to aliphatic ether complexes of the alkali and alkaline earth cations

    Energy Technology Data Exchange (ETDEWEB)

    Hay, B.P.; Rustad, J.R. (Pacific Northwest Lab., Richland, WA (United States))

    1994-07-13

    Structural requirements for strain-free metal ion complexation by an aliphatic ether group are investigated through the use of both ab initio molecular orbital and molecular mechanics calculations. Hartree-Fock calculations on simple models, M-O(Me)[sub 2] and M-O(Me)(Et), reveal a preference for trigonal planar geometry when aliphatic ether oxygens are coordinated to alkali and alkaline earth cations. This preference is found to be strongest in small, high-valent cations and weakest in large, low-valent cations. Results from the Hartree-Fock calculations are used to extend the MM3 force field for calculation on aliphatic ether complexes with the alkali (Li to Cs) and alkaline earth (Mg to Ba) cations. The resulting molecular model (i) reproduces the experimental crystal structures of 51 different complexes of multidentate ethers with alkali and alkaline earth cations, (ii) explains experimental trends in the structure of five-membered chelate rings of aliphatic ethers, (iii) reveals a fundamental difference between the metal ion size selectivity of five-membered chelate rings of ethers versus that of amines, and (iv) rationalizes trends in the stability of four potassium complexes with the diasteriomers of dicyclohexyl-18-crown-6. 40 refs., 9 figs., 5 tabs.

  9. 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

  10. 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.

  11. Solubility of fluorides of alkaline earth metals and some rare earths in anhydrous trifluoroacetic acid

    International Nuclear Information System (INIS)

    Solubility of fluorides of alkaline earth and some rare earth metals in anhydrous trifluoroacetic acid is studied. For each type of fluoride solubility depends on the ionic radius of the cation. Solubility of fluorides of alkaline earth metals grows from magnesium to barium. All the fluorides in anhydrous trifluoroacetic acid form solvates. Solvates of strontium and scandium fluorides are shown to decompose at 110 and 150 deg C respectively

  12. 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)

    Two new energetic compounds, [M(BTE)(H2O)5]n (M=Sr(1), Ba(2)) [H2BTE=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 Sr2(H2O)10/Ba2(H2O)10 SBUs linked up by two independent binding modes of H2BTE, 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 Sr2(H2O)10/Ba2(H2O)10 SBUs and two independent binding modes of H2BTE 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 Sr2(H2O)10/Ba2(H2O)10 SBUs and two distinct H2BTE coordination modes.→ The dehydrated products of the compounds possess good thermostability and significant catalytic effects on thermal decomposition of AP.

  13. 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.)

  14. Progress of research on the influence of alkaline cation and alkaline solution on bentonite properties

    International Nuclear Information System (INIS)

    Based on the previous laboratory studies and numerical simulation on bentonite in alkaline environments, the effects of alkaline cation and alkaline solution on mineral composition, microstructure, swelling capacity and hydraulic properties of bentonite are emphasized in this paper, temperature, pH values and concentration are discussed as main affecting factors. When bentonite is exposed to alkaline cation or alkaline solution, microstructure of bentonite will be changed due to the dissolution of montmorillonite and the formation of secondary minerals, which results in the decrease of swelling pressure. The amount of the reduction of swelling pressure depends on the concentration of alkaline solution. Temperature, polyvalent cation, salinity and concentration are the main factors affecting hydraulic properties of bentonite under alkaline conditions. Therefore, future research should focus on the mechanism of coupling effects of weak alkaline solutions on the mineral composition, microstructure, swelling capacity and hydraulic properties of bentonite under different temperatures and different pH values. (authors)

  15. Quantum mechanics and molecular dynamics simulations of complexation of alkaline-earth and lanthanide cations by poly-amino-carboxylate ligands; Simulations par mecanique quantique et dynamique moleculaire de la complexation de cations alcalino-terreux et lanthanides par des ligands polyaminocarboxylates

    Energy Technology Data Exchange (ETDEWEB)

    Durand, S

    1999-07-01

    Molecular dynamics (MD) simulations on lanthanide(III) and alkaline-earth(II) complexes with poly-amino-carboxylates (ethylene-diamino-tetra-acetate EDTA{sup 4-}, ethylene-diamino-tri-acetate-acetic acid EDTA(H){sup 3-}, tetra-aza-cyclo-dodecane-tetra-acetate DOTA{sup 4-}, methylene-imidine-acetate MIDA{sup 2-}) are reported. First, a consistent set of Lennard-Jones parameters for La{sup 3+}, Eu{sup 3+} and Lu{sup 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{sup 4-}, EDTA(H){sup 3-}, DOTA{sup 4-} and 1:2 complexes of lanthanide cations with MIDA{sup 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{sup 2+} vs Sr{sup 2+} and vs Ba{sup 2+} on the one hand, and with La{sup 3+} vs Eu{sup 3+} and vs Lu{sup 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)

  16. A study on equilibrium and kinetics of ion exchange of alkaline earth metals using an inorganic cation exchanger - zirconium titanium phosphate

    Indian Academy of Sciences (India)

    Amin Jignasa; Thakkar Rakesh; Chudasama Uma

    2006-03-01

    An advanced inorganic cation exchange material of the class of tetravalent metal acid (TMA) salt, zirconium titanium phosphate (ZTP), has been synthesized by a modified sol-gel technique. ZTP has been characterized by elemental analysis (ICP-AES), thermal analysis (TGA), FTIR and X-ray diffraction studies. The Nernst-Planck equation has been used to study the forward and reverse ion exchange kinetics of Mg (II), Ca (II), Sr (II) and Ba (II) with H (I) at four different temperatures. The mechanism of exchange is particle diffusion, as confirmed by the linear (dimensionless time parameter) vs (time) plots. The exchange process is thus controlled by the diffusion within the exchanger particles for the systems studied herein. Further, various kinetic parameters like self-diffusion coefficient (0), energy of activation () and entropy of activation (*) have been evaluated under conditions favouring a particle diffusion-controlled mechanism.

  17. 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.

  18. Design and Synthesis of Redox-Switched Lariat Ethers and Their Application for Transport of Alkali and Alkaline-Earth Metal Cations Across Supported Liquid Membrane

    Directory of Open Access Journals (Sweden)

    Uma Sharma

    2006-08-01

    Full Text Available A new class of redox-switched anthraquinone derived lariat ethers 1-(1-anthraquinonyloxy 3, 6, 9 trioxaundecane 11-ol (M1, 1-(1-anthraquinonyloxy 3, 6 dioxaoctane 9-ol (M2, 1-(1-anthraquinonyloxy 3 oxapentane 5-ol (M3, 1-(1-anthraquinonyloxy 3 oxapentane 5-butane (M4, 1-(1-anthraquinonyloxy 3, 6 dioxaoctane 9-methane (M5 and 1-(1-anthraquinonyloxy 3 oxapentane 5-methane (M6 have been synthesized and characterized by spectral analysis. These ionophores were used in liquid membrane carrier facilitated transport of main group metal cations across supported liquid membrane (SLM. Cellulose nitrate membrane was used as membrane support. Effect of various parameters such as variation in concentration of metal as well as ionophore, effect of chain length and end group of ionophore have been studied. The sequence of metal ions transported by ionophore M1 is Na+ > Li+ > K+ > Ca2+ > Mg2+ and the order of metal ions transported by ionophores (M2–M6 is Li+ > Na+ > K+ > Ca2+ > Mg2+. Ionophore M1 is selective for Na+, Li+, and K+ and ionophores (M2–M6 are selective for Li+ and Na+.

  19. Interaction of alkali and alkaline earth ions with Ochratoxin A

    Energy Technology Data Exchange (ETDEWEB)

    Poor, Miklos [Institute of Laboratory Medicine, University of Pecs, Pecs H-7624 (Hungary); Kunsagi-Mate, Sandor; Matisz, Gergely; Li, Yin; Czibulya, Zsuzsanna [Department of General and Physical Chemistry, University of Pecs, Pecs H-7624 (Hungary); Janos Szentagothai Research Center, Pecs H-7624 (Hungary); Peles-Lemli, Beata [Department of General and Physical Chemistry, University of Pecs, Pecs H-7624 (Hungary); Koszegi, Tamas, E-mail: koszegit@freemail.hu [Institute of Laboratory Medicine, University of Pecs, Pecs H-7624 (Hungary)

    2013-03-15

    The effect of alkali and alkaline earth ions on the chemical equilibrium of mono- and dianionic forms of the mycotoxin Ochratoxin A (OTA) and their bonding onto the surface of Bovine Serum Albumin (BSA) have been investigated by fluorescence spectroscopy and fluorescence polarization techniques. Our results show that alkali metal ions shift the chemical equilibrium towards formation of dianionic form of OTA. Furthermore, the alkaline earth ions can compete with BSA for binding to OTA when these ions are present in millimolar concentrations. Our data also highlight the possibility that the 'free' fraction of OTA (not bound onto the surface of albumin) or at least a part of it is present in cation-bound form in body fluids. These observations are supported by stability constants and quantum-chemical calculations. Among the studied alkaline metal ions magnesium showed the highest affinity towards OTA under physiological conditions. Further research is required to analyze the potential significance of Mg{sup 2+}-OTA complex in cellular uptake and/or elimination of the toxin in the human body. - Highlights: Black-Right-Pointing-Pointer Fluorescence spectroscopy reveals cation-Ochratoxin A (OTA) interactions. Black-Right-Pointing-Pointer Alkali ions shift the equilibrium of OTA to formation of a dianionic structure. Black-Right-Pointing-Pointer Alkaline earth ions directly bind to OTA in the order: Mg{sup 2+}, Ca{sup 2+}, Ba{sup 2+}. Black-Right-Pointing-Pointer Quantum chemical calculations and logK values support our experimental data.

  20. THE TRANSFER OF ALKALINE EARTH-METAL ION AT W/NB INTERFACE FACILITATED BY JOSAMYCIN

    Institute of Scientific and Technical Information of China (English)

    范瑞溪; 狄俊伟

    1991-01-01

    This paper describes the invesligation of the transfer behaviour of the alkaline earth-metal cations across the water/nitrobenzene interface facilitated by josamycin in the nitrobenzene phase using semi-differential cyclic voltammetry .The peak height is directly proportional to the concentration of josaycin (nb) and to the potential scan rate.The complexes formed from alkaline earth-metal ions and josamycin at the w/nb interface are ML22+ ion.

  1. 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.

  2. 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 diva

  3. Magic wavelengths in the alkaline earth ions

    CERN Document Server

    Kaur, Jasmeet; Arora, Bindiya; Sahoo, B K

    2015-01-01

    We present magic wavelengths for the $nS$ - $nP_{1/2,3/2}$ and $nS$ - $mD_{3/2,5/2}$ transitions, with the respective ground and first excited $D$ states principal quantum numbers $n$ and $m$, in the Mg$^+$, Ca$^+$, Sr$^+$ and Ba$^+$ alkaline earth ions for linearly polarized lights by plotting dynamic polarizatbilities of the $nS$, $nP_{1/2,3/2}$ and $mD_{3/2,5/2}$ states of the ions. These dynamic polarizabilities are evaluated by employing a relativistic all-order perturbative method and their accuracies are ratified by comparing their static values with the available high precision experimental or other theoretical results. Moreover, some of the magic wavelengths identified by us in Ca$^+$ concurs with the recent measurements reported in [{\\bf Phys. Rev. Lett. 114, 223001 (2015)}]. Knowledge of these magic wavelengths are propitious to carry out many proposed high precision measurements trapping the above ions in the electric fields with the corresponding frequencies.

  4. Mixed alkaline earth effect in sodium aluminosilicate glasses

    DEFF Research Database (Denmark)

    Kjeldsen, Jonas; Smedskjær, Morten Mattrup; Mauro, John C.;

    2013-01-01

    While the mixed alkali effect has received significant attention in the glass literature, the mixed alkaline earth effect has not been thoroughly studied. Here, we investigate the latter effect by partial substitution of magnesium for calcium in sodium aluminosilicate glasses. We use Raman and NMR...... spectroscopies to obtain insights into the structural and topological features of these glasses, and hence into the mixed alkaline earth effect. We demonstrate that the mixed alkaline earth effect manifests itself as a maximum in the amount of bonded tetrahedral units and as a minimum in liquid fragility index...

  5. Surface-treatment of Alkaline Earth Sulfides Based Phosphor

    Institute of Scientific and Technical Information of China (English)

    GUO Chong-feng; CHU Ben-li; XU Jian; SU Qiang

    2004-01-01

    A series of alkaline earth sulfides based phosphors Ca0.8Sr0.2S∶Eu2+, Tm3+ were covered with a layer of protective coating with alkaline earth fluorides by heating the mixture of phosphor and NH4HF2 at elevated temperatures. The coatings were characterized by means of XRD and SEM. The optical properties of the coated phosphors and the influences of the coating on their properties have been discussed extensively. The stabilities of the coated and uncoated phosphors have been compared.

  6. Solvent Extraction of Alkaline Earth Metals with Alkylphosphorus Acids

    Institute of Scientific and Technical Information of China (English)

    XUXin; ZHUTun

    2002-01-01

    Solvent extraction equiliria of four main alkaline earth metals (magnesium, calcium, strontium and barium) with di(2-ethylhexyl) phosphoric acid (DEHPA), 2-ethylhexyl phosphonic acid mono-(2-ethylhexyl) ester, di(2,4,4-tri-methylpentyl) phosphinic acid and IR spectra of the extracts have been studied. The selectivity order is dependent of the e/r value and hydration energy of the metal ions. The minor shift of the P→O in IR absorption of the alkaline earth metal extracts indicates that the interaction between the metal ions and P→O is much weaker for alkaline earth metals than for transitional metals. The distribution of the four alkaline earth elements between aqueous solutions and solutions of DEHPA and neutral organophosphorus compunds, tri-n-butyl phosphate (TBP) or tri-octyl phosphine oxide (TOPO) in kerosene have been determined at varying ratio of TBP or TOPO to DEHPA and the positive synergism is observed. The synergic effects is explained by using IR spectra of the loaded organic phase.

  7. 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.)

  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...

  9. 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 m

  10. Controlled charge exchange between alkaline earth metals and their ions

    Science.gov (United States)

    Gacesa, Marko; Côté, Robin

    2015-05-01

    We theoretically investigate the prospects of realizing controlled charge exchange via magnetic Feshbach resonances in cold and ultracold collisions of atoms and ions. In particular, we focus on near-resonant charge exchange in heteroisotopic combinations of alkaline earth metals, such as 9Be++10 Be9 Be+10Be+ , which exhibit favorable electronic and hyperfine structure. The quantum scattering calculations are performed for a range of initial states and experimentally attainable magnetic fields in standard coupled-channel Feshbach projection formalism, where higher-order corrections such as the mass-polarization term are explicitely included. In addition, we predict a number of magnetic Feshbach resonances for different heteronuclear isotopic combinations of the listed and related alkaline earth elements. Our results imply that near-resonant charge-exchange could be used to realize atom-ion quantum gates, as well as controlled charge transfer in optically trapped cold quantum gases. This work is partially supported by ARO.

  11. 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. PMID:19905493

  12. 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....

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

    CERN Document Server

    Jiang, Jun; 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.

  14. Bond-length distributions for ions bonded to oxygen: alkali and alkaline-earth metals.

    Science.gov (United States)

    Gagné, Olivier Charles; Hawthorne, Frank Christopher

    2016-08-01

    Bond-length distributions have been examined for 55 configurations of alkali-metal ions and 29 configurations of alkaline-earth-metal ions bonded to oxygen, for 4859 coordination polyhedra and 38 594 bond distances (alkali metals), and for 3038 coordination polyhedra and 24 487 bond distances (alkaline-earth metals). Bond lengths generally show a positively skewed Gaussian distribution that originates from the variation in Born repulsion and Coulomb attraction as a function of interatomic distance. The skewness and kurtosis of these distributions generally decrease with increasing coordination number of the central cation, a result of decreasing Born repulsion with increasing coordination number. We confirm the following minimum coordination numbers: ([3])Li(+), ([3])Na(+), ([4])K(+), ([4])Rb(+), ([6])Cs(+), ([3])Be(2+), ([4])Mg(2+), ([6])Ca(2+), ([6])Sr(2+) and ([6])Ba(2+), but note that some reported examples are the result of extensive dynamic and/or positional short-range disorder and are not ordered arrangements. Some distributions of bond lengths are distinctly multi-modal. This is commonly due to the occurrence of large numbers of structure refinements of a particular structure type in which a particular cation is always present, leading to an over-representation of a specific range of bond lengths. Outliers in the distributions of mean bond lengths are often associated with anomalous values of atomic displacement of the constituent cations and/or anions. For a sample of ([6])Na(+), the ratio Ueq(Na)/Ueq(bonded anions) is partially correlated with 〈([6])Na(+)-O(2-)〉 (R(2) = 0.57), suggesting that the mean bond length is correlated with vibrational/displacement characteristics of the constituent ions for a fixed coordination number. Mean bond lengths also show a weak correlation with bond-length distortion from the mean value in general, although some coordination numbers show the widest variation in mean bond length for zero distortion, e.g. Li(+) in

  15. Bond-length distributions for ions bonded to oxygen: alkali and alkaline-earth metals.

    Science.gov (United States)

    Gagné, Olivier Charles; Hawthorne, Frank Christopher

    2016-08-01

    Bond-length distributions have been examined for 55 configurations of alkali-metal ions and 29 configurations of alkaline-earth-metal ions bonded to oxygen, for 4859 coordination polyhedra and 38 594 bond distances (alkali metals), and for 3038 coordination polyhedra and 24 487 bond distances (alkaline-earth metals). Bond lengths generally show a positively skewed Gaussian distribution that originates from the variation in Born repulsion and Coulomb attraction as a function of interatomic distance. The skewness and kurtosis of these distributions generally decrease with increasing coordination number of the central cation, a result of decreasing Born repulsion with increasing coordination number. We confirm the following minimum coordination numbers: ([3])Li(+), ([3])Na(+), ([4])K(+), ([4])Rb(+), ([6])Cs(+), ([3])Be(2+), ([4])Mg(2+), ([6])Ca(2+), ([6])Sr(2+) and ([6])Ba(2+), but note that some reported examples are the result of extensive dynamic and/or positional short-range disorder and are not ordered arrangements. Some distributions of bond lengths are distinctly multi-modal. This is commonly due to the occurrence of large numbers of structure refinements of a particular structure type in which a particular cation is always present, leading to an over-representation of a specific range of bond lengths. Outliers in the distributions of mean bond lengths are often associated with anomalous values of atomic displacement of the constituent cations and/or anions. For a sample of ([6])Na(+), the ratio Ueq(Na)/Ueq(bonded anions) is partially correlated with 〈([6])Na(+)-O(2-)〉 (R(2) = 0.57), suggesting that the mean bond length is correlated with vibrational/displacement characteristics of the constituent ions for a fixed coordination number. Mean bond lengths also show a weak correlation with bond-length distortion from the mean value in general, although some coordination numbers show the widest variation in mean bond length for zero distortion, e.g. Li(+) in

  16. Bose-Einstein condensation of alkaline earth atoms: $^{40}${Ca}

    OpenAIRE

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

    2009-01-01

    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 $2 \\cdot 10^4$ atoms after laser cooling in a two-stage magneto-optical trap and subsequent forced evaporation in a crossed dipole trap within less ...

  17. Structural variations in layered alkaline earth metal cyclohexyl phosphonates

    Indian Academy of Sciences (India)

    Ramaswamy Murugavel; Nayanmoni Gogoi

    2009-06-01

    Two series of alkaline earth metal cyclohexyl phosphonates, M(C6H11PO3H)2(H2O) (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 diffraction techniques. The molecular structure of compound 2 determined using single crystal X-ray diffraction technique reveals a layered polymeric structure.

  18. Quantum computing with alkaline-Earth-metal atoms.

    Science.gov (United States)

    Daley, Andrew J; Boyd, Martin M; Ye, Jun; Zoller, Peter

    2008-10-24

    We present a complete scheme for quantum information processing using the unique features of alkaline-earth-metal atoms. We show how two completely independent lattices can be formed for the 1S0 and 3P0 states, with one used as a storage lattice for qubits encoded on the nuclear spin, and the other as a transport lattice to move qubits and perform gate operations. We discuss how the 3P2 level can be used for addressing of individual qubits, and how collisional losses from metastable states can be used to perform gates via a lossy blockade mechanism.

  19. Study on rare earth/alkaline earth oxide-doped CeO2 solid electrolyte

    Institute of Scientific and Technical Information of China (English)

    YAN Kai; ZHEN Qiang; Song Xiwen

    2007-01-01

    Five types of rare earth/alkaline earth oxide-doped CeO2 superfine-powders were synthesized by a low-temperature combustion technique. The relevant solid electrolyte materials were also sintered by pressureless sintering at different temperatures. The results of X-ray diffraction and transmission electron microscopy showed that the grain size of the powders was approximately 20-30 nm, and rare earth/alkaline earth oxides were completely dissolved into ceria-based solid solution with fluorite structure. The electrical conductivities of the Sm2O3-CeO2 system were measured by the ac impedance technique in air at temperatures ranging from 513-900℃. The results indicated that the ionic conductivities of Sm0.20Ce0.8O1.875 solid electrolyte increase with increasing sintering temperature, and the relationship between the conductivities and measuring temperature obeys the Arrhenius equation. Then the Sm2O3-CeO2 material was further doped with other rare earth/alkaline earth oxide, and the conductivities improve with the effective index.

  20. Effects of alkaline cations (M+ = Li+, Na+, K+, Cs+) on the electrochemical synthesis of polyaniline in nitric acid electrolyte

    Institute of Scientific and Technical Information of China (English)

    WU Kezhong; WANG Xindong; MENG Xu

    2005-01-01

    The effects of alkaline cations (M+ = Li+, Na+, K+, Cs+) on the electrochemical synthesis of polyaniline were cartied out under cyclovoltammetric conditions using nitrates of Li+, Na+, K+, and Cs+ as the supporting electrolytes. The results show that the oxidation potentials of aniline in the electrolytes decrease as the protonation extent of aniline decreases from the first scan, which is caused by the decrease of the ionic radius of alkaline metal ions at the same concentration of alkaline cations. With the scan number increasing, the deposit charge Q as the characteristic growth function also depends on the protonation of aniline, and it increases with the ionic radius of alkaline cations increasing. SEM images show the effect of alkaline cations on the morphology of polyaniline. It is clear that the ionic mobility of alkaline cations is further lower than that of H+. Alkaline cations and counter-ions were the species responsible for the enhancement of Pani electrosynthesis. Therefore, this is exactly what SEM images show: a relatively rough fibrous structure in the case of Pani-H+ suggesting a sponge-like structure and a highly orderly fiber-like structure in the case of Pani-M+.

  1. Recent advances in Rydberg physics using alkaline-earth atoms

    Science.gov (United States)

    Dunning, F. B.; Killian, T. C.; Yoshida, S.; Burgdörfer, J.

    2016-06-01

    In this brief review, the opportunities that the alkaline-earth elements offer for studying new aspects of Rydberg physics are discussed. For example, the bosonic alkaline-earth isotopes have zero nuclear spin which eliminates many of the complexities present in alkali Rydberg atoms, permitting simpler and more direct comparison between theory and experiment. The presence of two valence electrons allows the production of singlet and triplet Rydberg states that can exhibit a variety of attractive or repulsive interactions. The availability of weak intercombination lines is advantageous for laser cooling and for applications such as Rydberg dressing. Excitation of one electron to a Rydberg state leaves behind an optically active core ion allowing, for high-L states, the optical imaging of Rydberg atoms and their (spatial) manipulation using light scattering. The second valence electron offers the possibility of engineering long-lived doubly excited states such as planetary atoms. Recent advances in both theory and experiment are highlighted together with a number of possible directions for the future.

  2. Proposal for Laser Cooling of Alkaline Earth Monoalkoxide Free Radicals

    Science.gov (United States)

    Baum, Louis; Kozyryev, Ivan; Matsuda, Kyle; Doyle, John M.

    2016-05-01

    Cold samples of polyatomic molecules will open new avenues in physics, chemistry, and quantum science. Non-diagonal Franck-Condon factors, technically challenging wavelengths, and the lack of strong electronic transitions inhibit direct laser cooling of nonlinear molecules. We identify a scheme for optical cycling in certain molecules with six or more atoms. Replacing hydrogen in alcohols with an alkaline earth metal (M) leads to alkaline earth monoalkoxide free radicals (MOR), which have favorable properties for laser cooling. M-O bond is very ionic, so the metal orbitals are slightly affected by the nature of R on the ligand. Diagonal Franck-Condon factors, laser accessible transitions, and a small hyperfine structure make MOR molecules suitable for laser cooling. We explore a scheme for optical cycling on the A - X transition of SrOCH3 . Molecules lost to dark vibrational states will be repumped on the B - X transition. Extension to larger species is possible through expansion of the R group since transitions involve the promotion of the metal-centered nonbonding valence electron. We will detail our estimations of the Franck-Condon factors, simulations of the cooling process and describe progress towards the Doppler cooling of MOR polyatomics.

  3. Effect of rare earth oxides on the properties of bio-soluble alkaline earth silicate fibers

    Institute of Scientific and Technical Information of China (English)

    王玺堂; 刘浩; 王周福; 马妍

    2016-01-01

    Using natural mineral wollastonite, talc and quartz sands as raw materials, rare earth oxides (La2O3, Nd2O3 and Y2O3) as additives, the bio-soluble alkaline earth silicate fibers were prepared by melting and blowing process. The viscosity of the molten ma-terials, bio-solubility and crystallization behavior of the fiber were investigated. The results indicated that the fiber drawing tempera-ture range could be broadened since the slope of the temperature-viscosity curve decreased with adding rare earth oxide. The addition of rare earth oxide was beneficial to the increase of crystallization temperature by strengthening the network structure of the fiber. The existence of rare earth oxide in the fibers would reduce the solubility of the fibers, which still belonged to bio-soluble fibers.

  4. Deep optical trap for cold alkaline-Earth atoms.

    Science.gov (United States)

    Cruz, Luciano S; Sereno, Milena; Cruz, Flavio C

    2008-03-01

    We describe a setup for a deep optical dipole trap or lattice designed for holding atoms at temperatures of a few mK, such as alkaline-Earth atoms which have undergone only regular Doppler cooling. We use an external optical cavity to amplify 3.2 W from a commercial single-frequency laser at 532 nm to 523 W. Powers of a few kW, attainable with low-loss optics or higher input powers, allow larger trap volumes for improved atom transfer from magneto-optical traps. We analyze possibilities for cooling inside the deep trap, the induced Stark shifts for calcium, and a cancellation scheme for the intercombination clock transition using an auxiliary laser. PMID:18542375

  5. Tune-out wavelengths for the alkaline earth atoms

    CERN Document Server

    Cheng, Yongjun; Mitroy, Jim

    2013-01-01

    The lowest 3 tune-out wavelengths of the four alkaline-earth atoms, Be, Mg, Ca and Sr are determined from tabulations of matrix elements produced from large first principles calculations. The tune-out wavelengths are located near the wavelengths for $^3P^o_1$ and $^1P^o_1$ excitations. The measurement of the tune-out wavelengths could be used to establish a quantitative relationship between the oscillator strength of the transition leading to existence of the tune-out wavelength and the dynamic polarizability of the atom at the tune-out frequency. The longest tune-out wavelengths for Be, Mg, Ca, Sr, Ba and Yb are 454.9813 nm, 457.2372 nm, 657.446 nm, 689.200 nm, 788.875 nm and 553.00 nm respectively.

  6. Alkaline Earth Core Level Photoemission Spectroscopy of High-Temperature Superconductors

    Science.gov (United States)

    Vasquez, R.

    1993-01-01

    This paper examines photoemission measurements of the alkaline Earth core levels of high-temperature superconductors and related materials, models that seek to explain the large negative shifts observed relative to the corresponding alkaline Earth metals, and the effect of lattice site disorder on the core level spectra and the presence or absence of intrinsic surface peaks.

  7. Conversion of ethanol to propylene over HZSM-5 type zeolites containing alkaline earth metals

    OpenAIRE

    Goto, Daisuke; Harada, Yasumitsu; Furumoto, Yoshiyasu; Takahashi, Atsushi; Fujitani, Tadahiro; Oumi, Yasunori; Sadakane, Masahiro; Sano, Tsuneji

    2010-01-01

    Protonated ZSM-5 type zeolites containing alkaline earth metals (M-HZSM-5, M: alkaline earth metal) were prepared under various synthesis conditions and their catalytic performance in conversion of ethanol to light olefins was investigated in detail. Among M-HZSM-5, Sr-HZSM-5 exhibited an excellent performance.

  8. IGCC sulfur compounds abatement with earth alkaline sorbents

    Energy Technology Data Exchange (ETDEWEB)

    Ramon Alvarez-Rodriguez; Carmen Clemente-Jul [Universidad Politecnica de Madrid, Madrid (Spain). Escuela Tecnica Superior de Ingenieros de Minas

    2007-07-01

    In Integrated Gasification Combined Cycle (IGCC) process, in the reference plant built in Puertollano, Spain by Elcogas, a consortium formed by several utilities and engineering companies with a technology that is one of the most promising electricity generation options, both from the environmental and the efficiency point of view and that allows an efficient and environmentally friendly use of national coal, and also a refinery residue, petroleum coke, the high sulphur contents in coal and specially in petcoke, their presence in the feedstock, led to significant contents of gaseous sulphur compounds whose advanced removal has been the aim of this project. Different sorbents to reduce the presence of H{sub 2}S have been researched and between them the earth alkaline compounds, dolomite and calcite that react with H{sub 2}S to give calcium sulphide have been chosen due to their properties and low cost. The calcium sulphide is a reactive product because it reacts with water to regenerate the H{sub 2}S but it can be converted in calcium sulphate, inert product with diverse uses. This conversion to sulphate present some problems of possible lack of total conversion and different conditions to improve this conversion have been investigated. The tests have been carried out with dolomite and calcite and firstly the sulphuration of the same have been produced using a mixture of gases that simulates the IGCC gas and after their oxidation has been studied. The influence of the conditions of sulfurization and oxidation on the final conversion of calcium sulphide to sulphate as the presence of H{sub 2}O vapour, the variation in the composition of the gases, the temperature and the bed length have been evaluated. The solid products obtained have been characterized by X-ray diffraction and scanning electronic microscopy and chemical analysis to assess the evolution and progress of the reactions. 8 refs., 3 figs., 1 tab.

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

    OpenAIRE

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

    2016-01-01

    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...

  10. Syntheses, structure and properties of Alkaline-earth metal salts of 4-Nitrophenylacetic acid

    Indian Academy of Sciences (India)

    BIKSHANDARKOIL R SRINIVASAN; KIRAN T DHAVSKAR; CHRISTIAN NÄTHER

    2016-11-01

    The synthesis, crystal structure, spectral characteristics and thermal properties of alkaline-earth metal salts of 4-nitrophenylacetic acid (4-npaH) namely, [Mg(H₂O)₆](4-npa)₂·4H₂O (4-npa = 4-nitrophenylacetate) (1), [Ca(H₂O)₂(4-npa)₂] (2) and [Sr(H₂O)₃(4-npa)₂]·4.5H₂O(3) are reported. In 1, the 4-npa ion functions as a charge balancing counter anion for the octahedral [Mg(H₂O)6]²⁺ unit with the Mg(II) ion situated on a centre of inversion. The two unique lattice water molecules link the [Mg(H₂O)₆]²⁺ cations and 4-npa anions with the aid of O-H· · ·O interactions. Compounds 2 and 3 are one-dimensional (1-D) coordination polymers containing an eight coordinated Ca(II) situated in a general position and a nine coordinated Sr(II) located on a twofold axis. The μ₂-bridging tridentate binding modes of the crystallographically independent 4-npa ligands in 2 and the unique 4-npa ligand in 3 link the bivalent metal ions into an infinite chain with alternating Ca· · · Ca separations of 3.989 and 4.009 Å, respectively, and a single Sr· · · Sr separation of 4.194Å in the 1-D chain.

  11. Spectroscopic characterization of manganese-doped alkaline earth lead zinc phosphate glasses

    Indian Academy of Sciences (India)

    S Sreehari Sastry; B Rupa Venkateswara Rao

    2015-04-01

    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 bands which are characteristic of Mn(II) in distorted octahedral site symmetry. The crystal field parameter Dq and Racah interelectronic-repulsion parameters and have been evaluated. All investigated samples exhibit EPR signals which are characteristic to the Mn2+ ions. The shapes of spectra are also changed with varying alkaline earth ions content. FTIR spectra show specific vibrations of phosphate units. The characteristic Raman bands of these glasses due to stretching and bending vibrations were identified and analysed by varying alkaline earth content. 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. This leads to a strong decrease of the average chain length and a small decrease of the average P–O–P bridging angle with replacement of alkaline earth content.

  12. New Alkaline-Earth Polymeric Frameworks as green materials for sorption and heterogeneous catalysis

    OpenAIRE

    Platero Prats, Ana Eva

    2011-01-01

    Metal-Organic Frameworks (or MOFs) are porous organic-inorganic crystalline materials in which the metallic centers are joined through organic ligands via coordination bonds to give frameworks with different dimensionalities. The work presented in this thesis is focused on the obtaining of new MOFs using alkaline-earth elements as metal centers, which could represent a comparatively cheap, nontoxic and green alternative to conventional MOFs based on transition metals or rare-earth elements.Th...

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

    CERN Document Server

    Sainz, Rafael Manso; Sanz-Sanz, Cristina; Aguado, Alfredo; Ramos, Andres Asensio; Bueno, Javier Trujillo

    2014-01-01

    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 alkaly-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 <10000 K. A comparative analysis of our results and previous calculations in the literature is done. 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. The alkali and alkaline earth metal doped ZnO nanotubes: DFT studies

    Science.gov (United States)

    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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Peyghan, Ali Ahmadi [Department of Chemistry, Faculty of Science, Central Tehran Branch, Islamic Azad University, Tehran (Iran, Islamic Republic of); Noei, Maziar, E-mail: noeimaziar@gmail.com [Department of Chemistry, Mahshahr Branch, Islamic Azad University, Mahshahr (Iran, Islamic Republic of)

    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.

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

    NARCIS (Netherlands)

    Xu, Jiang; Mojet, B.L.; Ommen, van J.G.; Lefferts, L.

    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 temperature-programmed-desorpti

  17. FORMATION (DECOMPOSITION) ENTHALPY CALCULATIONS FOR CRYSTAL LATTICES OF ALKALINE-EARTH FLUORIDES

    OpenAIRE

    Gruba, O.; Germanyuk, N.; Ryabukhin, A.

    2015-01-01

    A series of calculations of structural and thermochemical properties has been carried out for the alkaline-earth fluorides. The calculations have been carried out using the modified model of effective ionic radii and the model of enthalpy calculation for the crystal lattice. The results of the calculations are in accordance with the known experimental data within confidence intervals.

  18. Conformation Switching in Gas-Phase Complexes of Histidine with Alkaline Earth Ions

    NARCIS (Netherlands)

    Dunbar, R. C.; Hopkinson, A. C.; Oomens, J.; Siu, C. K.; Siu, K. W. M.; Steill, J. D.; Verkerk, U. H.; Zhao, J. F.

    2009-01-01

    Infrared multiple photon dissociation spectroscopy of gas-phase doubly charged alkaline earth complexes of histidine reveals a transition from dominance of the zwitterion (salt bridge, SB) conformation with Ba2+ to substantial presence of the canonical (charge-solvated, CS) conformation with Ca2+. T

  19. Infrared absorption of H- and D- in the alkaline-earth fluorides

    NARCIS (Netherlands)

    Jones, G. D.; Sung, J. J. Y.; Hume, T.; Ing, L. S.; Bradley, I. V.; Wells, J. P. R.

    2001-01-01

    A revisit is made to the infrared absorption spectra of H- and D- local modes in the alkaline-earth fluorides. New data on the intensity ratios of the various harmonic lines, observation of a fourth harmonic for H- in CaF2 and revised values for the anharmonic potential well constants are presented,

  20. Carbonatite and alkaline intrusion-related rare earth element deposits–A deposit model

    Science.gov (United States)

    Verplanck, Philip L.; Van Gosen, Bradley S.

    2011-01-01

    The rare earth elements are not as rare in nature as their name implies, but economic deposits with these elements are not common and few deposits have been large producers. In the past 25 years, demand for rare earth elements has increased dramatically because of their wide and diverse use in high-technology applications. Yet, presently the global production and supply of rare earth elements come from only a few sources. China produces more than 95 percent of the world's supply of rare earth elements. Because of China's decision to restrict exports of these elements, the price of rare earth elements has increased and industrial countries are concerned about supply shortages. As a result, understanding the distribution and origin of rare earth elements deposits, and identifying and quantifying our nation's rare earth elements resources have become priorities. Carbonatite and alkaline intrusive complexes, as well as their weathering products, are the primary sources of rare earth elements. The general mineral deposit model summarized here is part of an effort by the U.S. Geological Survey's Mineral Resources Program to update existing models and develop new descriptive mineral deposit models to supplement previously published models for use in mineral-resource and mineral-environmental assessments. Carbonatite and alkaline intrusion-related REE deposits are discussed together because of their spatial association, common enrichment in incompatible elements, and similarities in genesis. A wide variety of commodities have been exploited from carbonatites and alkaline igneous rocks, such as rare earth elements, niobium, phosphate, titanium, vermiculite, barite, fluorite, copper, calcite, and zirconium. Other enrichments include manganese, strontium, tantalum, thorium, vanadium, and uranium.

  1. Alkaline earth alkyl insertion chemistry of in situ generated aminoboranes.

    Science.gov (United States)

    Bellham, Peter; Hill, Michael S; Kociok-Köhn, Gabriele; Liptrot, David J

    2013-01-21

    Reactions of equimolar quantities of secondary amine boranes, R(2)NH·BH(3), with the homoleptic group 2 alkyl compounds [M{CH(SiMe(3))(2)}(2)(THF)(2)] (M = Mg, Ca, Sr) provide the alkyl group 2 amido borane derivatives [M{CH(SiMe(3))(2)}{NR(2)BH(3)}(THF)](2). While the strontium derivatives of reactions with dimethylamine and pyrrolidine borane are stable and isolable compounds, the analogous magnesium and calcium compounds are found to be unstable at room temperature. Studies of the thermolysis of the alkylstrontium derivatives have allowed this instability to be rationalised as a result of β-hydride elimination, the facility of which varies with changing M(2+) charge density, to form the products of M-C insertion of H(2)B=NR(2). Subsequent to this process, alkylaminoboranes, [HB(NR(2)){CH(SiMe(3))(2)}], are observed to form through a further suggested β-hydride elimination reaction. This chemistry is also extended to the reaction of the primary amine borane (t)BuNH(2)·BH(3) with [Sr{CH(SiMe(3))(2)}(2)(THF)(2)]. In this case the crystal structure of a heteroleptic species, which may be considered as a tetrameric aggregate of two [Sr{CH(SiMe(3))(2)}{(NH(t)Bu)BH(3)}(2)] anions and two cationic [Sr{(NH(t)Bu)(BH(3))}(THF)(2)] components, has been determined. Kinetic studies of the reactions of [M{CH(SiMe(3))(2)}(2)(THF)(2)] (M = Mg, Ca, Sr) with dimethylamine borane have also been undertaken and describe a complex mechanism in which the barriers to formation of the various intermediate species are a consequence of M(2+) radius and resultant charge density as well as the steric demands of the coordinated amidoborane ligands. PMID:23070304

  2. Uptake of alkaline earth metals in Alcyonarian spicules (Octocorallia)

    Science.gov (United States)

    Taubner, I.; Böhm, F.; Eisenhauer, A.; Garbe-Schönberg, D.; Erez, J.

    2012-05-01

    Alcyonarian corals (Octocorallia) living in shallow tropical seas produce spicules of high-Mg calcite with ˜13 mol% MgCO3. We cultured the tropical alcyonarian coral Rhythisma fulvum in experiments varying temperature (19-32 °C) and pH (8.15-8.44). Alkalinity depletion caused by spicule formation systematically varied in the temperature experiments increasing from 19 to 29 °C. Spicules were investigated for their elemental ratios (Mg/Ca, Sr/Ca) using ICP-OES, δ44/40Ca using TIMS, as well as δ18O and δ13C by IRMS. Mg/Ca increased with temperature from 146 to 164 mmol/mol, in good agreement with the range observed for marine inorganic calcite. Mg/Ca increased by 1.0 ± 0.4 mmol/mol/°C, similar to the sensitivity of Miliolid foraminifera. The pH experiments revealed a linear relationship between Mg/Ca and carbonate ion concentration of +0.03 ± 0.02 mmol/mol/μMol. Sr/Ca ranges from 2.5 to 2.9 mmol/mol being in good agreement with other high-Mg calcites. Temperature and pH experiments showed linear dependencies of Sr/Ca matching inorganic calcite trends and pointing to a decoupling of crystal precipitation rate and calcification rate. Ca isotopes range between 0.7‰ and 0.9‰ in good agreement with aragonitic scleractinian corals and calcitic coccoliths. Presumably Ca isotopes are fractionated by a biological mechanism that may be independent of the skeletal mineralogy. We observe no temperature trend, but a significant decrease of δ44/40Ca with increasing pH. This inverse correlation may characterise biologically controlled intracellular calcification. Oxygen isotope ratios are higher than expected for isotopic equilibrium with a temperature sensitivity of -0.15 ± 0.03‰/°C. Carbon isotope ratios are significantly lower than expected for equilibrium and positively correlated with temperature with a slope of 0.20 ± 0.04‰/°C. Many of our observations on trace element incorporation in R. fulvum may be explained by inorganic processes during crystal

  3. A new N-hydroxyethyliminodiacetic acid modified core-shell silica phase for chelation ion chromatography of alkaline earth, transition and rare earth elements.

    Science.gov (United States)

    McGillicuddy, Nicola; Nesterenko, Ekaterina P; Nesterenko, Pavel N; Stack, Elaine M; Omamogho, Jesse O; Glennon, Jeremy D; Paull, Brett

    2013-12-20

    Bare core-shell silica (1.7μm) has been modified with iminodiacetic acid functional groups via standard silane chemistry, forming a new N-hydroxyethyliminodiacetic acid (HEIDA) functionalised core-shell stationary phase. The column was applied in high-performance chelation ion chromatography and evaluated for the retention of alkaline earth, transition and heavy metal cations. The influence of nitric acid eluent concentration, addition of complexing agent dipicolinic acid, eluent pH and column temperature on the column performance was investigated. The efficiencies obtained for transition and heavy metal cations (and resultant separations) were comparable or better than those previously obtained for alternative fully porous silica based chelation stationary phases, and a similarly modified monolithic silica column, ranging from ∼15 to 56μm HETP. Increasing the ionic strength of the eluent with the addition of KNO3 (0.75M) and increasing the column temperature (70°C) facilitated the isocratic separation of a mixture of 14 lanthanides and yttrium in under 12min, with HETP averaging 18μm (7μm for Ce(III)).

  4. Binding of alkaline cations to the double-helical form of gramicidin.

    OpenAIRE

    Chen, Y; Wallace, B.A.

    1996-01-01

    Gramicidin is a polypeptide antibiotic that forms monovalent cation-specific channels in membrane environments. In organic solvents and in lipids containing unsaturated fatty acid chains, it forms a double-helical "pore" structure, in which two monomers are intertwined. This form of gramicidin can bind two cations inside its lumen, and the crystal structures of both an ion complex and an ion-free form have been determined. In this study, we have used circular dichroism (CD) spectroscopy to ex...

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

    Indian Academy of Sciences (India)

    J K Baria; A R Jani

    2010-10-01

    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 melting point using molecular dynamics (MD) simulation technique using a pseudopotential proposed by us are presented in this article. Good agreement with the experiment is achieved for the binding energy, pair distribution function and structure factor, and these results compare favourably with the results obtained by other such calculations, showing the transferability of the pseudopotential used from solid to liquid environment in the case of alkaline-earth metals.

  6. Effects of inherent alkali and alkaline earth metallic species on biomass pyrolysis at different temperatures.

    Science.gov (United States)

    Hu, Song; Jiang, Long; Wang, Yi; Su, Sheng; Sun, Lushi; Xu, Boyang; He, Limo; Xiang, Jun

    2015-09-01

    This work aimed to investigate effects of inherent alkali and alkaline earth metallic species (AAEMs) on biomass pyrolysis at different temperatures. The yield of CO, H2 and C2H4 was increased and that of CO2 was suppressed with increasing temperature. Increasing temperature could also promote depolymerization and aromatization reactions of active tars, forming heavier polycyclic aromatic hydrocarbons, leading to decrease of tar yields and species diversity. Diverse performance of inherent AAEMs at different temperatures significantly affected the distribution of pyrolysis products. The presence of inherent AAEMs promoted water-gas shift reaction, and enhanced the yield of H2 and CO2. Additionally, inherent AAEMs not only promoted breakage and decarboxylation/decarbonylation reaction of thermally labile hetero atoms of the tar but also enhanced thermal decomposing of heavier aromatics. Inherent AAEMs could also significantly enhance the decomposition of levoglucosan, and alkaline earth metals showed greater effect than alkali metals. PMID:26005925

  7. Helical ternary complexes of alkaline earth picrates with open-chain crown ether

    Institute of Scientific and Technical Information of China (English)

    刘伟生; 温永红; 刘雪原; 谭民裕

    2003-01-01

    Four solid complexes of alkaline earth picrates with N,N,N′,N′-tetraphenyl-3,6,9-tri- oxaundecanediamide (TTD), M (Pic)2TTD (1, M = Mg; 2, M = Ca; 3, M = Sr; 4, M = Ba), have been prepared and characterized by elemental analysis, conductivity measurement, IR spectra, 1H NMR spectra and TG-DTA techniques. Crystal structure of complex 3 shows that the Sr(Ⅱ) ion is 9-coordinated by five oxygen atoms from TTD and four oxygen atoms from two bidentate picrates, and the coordination polyhedron is distorted tricapped trigonal prism. TTD as a pentadentate ligand forms a right-handed helical coordination structure. The chelating helical chain has a relative fixed radius and then shows a high coordination selectivity to metal ion. The high selectivity of TTD to alkaline earth ions is explained elementarily from the special coordination structures.

  8. Solvation structures and dynamics of alkaline earth metal halides in supercritical water: A molecular dynamics study

    Science.gov (United States)

    Keshri, Sonanki; Mandal, Ratnamala; Tembe, B. L.

    2016-09-01

    Constrained molecular dynamics simulations of alkaline earth metal halides have been carried out to investigate their structural and dynamical properties in supercritical water. Potentials of mean force (PMFs) for all the alkaline earth metal halides in supercritical water have been computed. Contact ion pairs (CIPs) are found to be more stable than all other configurations of the ion pairs except for MgI2 where solvent shared ion pair (SShIP) is more stable than the CIP. There is hardly any difference in the PMFs between the M2+ (M = Mg, Ca, Sr, Ba) and the X- (X = F, Cl, Br, I) ions whether the second X- ion is present in the first coordination shell of the M2+ ion or not. The solvent molecules in the solvation shells diffuse at a much slower rate compared to the bulk. Orientational distribution functions of solvent molecules are sharper for smaller ions.

  9. 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...... of the indentation and hardness, and we thus infer that elastic deformation does not play a dominant role in determining the mixed alkaline earth effect of hardness. However, interestingly, we find a strong correlation between Poisson’s ratio, volume of plastic flow, and hardness, by which the minimum in hardness......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...

  10. 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......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 compared in order to determine the influence of the thermal history on these properties. Vickers hardness is found to be essentially unaffected by the environmental conditions, while the stress intensity factor (fracture toughness) and the crack resistance decrease significantly with increasing humidity...

  11. Long-range interactions between the alkali-metal atoms and alkaline earth ions

    CERN Document Server

    Kaur, Jasmeet; Arora, Bindiya; Sahoo, B K

    2014-01-01

    Accurate knowledge of interaction potentials among the alkali atoms and alkaline earth ions is very useful in the studies of cold atom physics. Here we carry out theoretical studies of the long-range interactions among the Li, Na, K, and Rb alkali atoms with the Ca$^+$, Ba$^+$, Sr$^+$, and Ra$^+$ alkaline earth ions systematically which are largely motivated by their importance in a number of applications. These interactions are expressed as a power series in the inverse of the internuclear separation $R$. Both the dispersion and induction components of these interactions are determined accurately from the algebraic coefficients corresponding to each power combination in the series. Ultimately, these coefficients are expressed in terms of the electric multipole polarizabilities of the above mentioned systems which are calculated using the matrix elements obtained from a relativistic coupled-cluster method and core contributions to these quantities from the random phase approximation. We also compare our estim...

  12. 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.

  13. 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.

  14. Removal of phosphorous through roasting of oolitic iron ore with alkaline earth additives

    OpenAIRE

    Ionkov, Krassimir; GAYDARDZHIEV, Stoyan; Bastin, David; de Araujo, Armando Correa; Lacoste, Marine

    2012-01-01

    The present study is devoted to improvement of the leaching efficiency during phosphorous removal from high phosphorous gravity-magnetic concentrate. Before leaching the concentrate has been subjected to roasting with the addition of either Ca(OH)2 or CaO. The oolitic iron ore is roasted at 900°C for one hour. This reflects in reaction between alkaline earth additive and quartz, aluminosilicates, phosphorus, and some other minor components of the gangue minerals. The application of leaching, ...

  15. Adsorption of Alkali, Alkaline Earth and Transition Metal Atoms on Silicene

    OpenAIRE

    Sahin, Hasan; Peeters, Francois M.

    2013-01-01

    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, workfuncti...

  16. TL and XRD correlation studies of RE3+ doped alkaline earth sulphate phosphors

    International Nuclear Information System (INIS)

    Alkaline earth sulphate phosphors activated with ambient weight percentage composition of rare earth (RE) ions were prepared from Indian mineral gypsum and from synthesized sulphate compounds. The results of TL studies have been interpreted in terms of defect levels and the results of X-ray diffraction (XRD) studies are considered in terms of possible sites and population of activator ions in the host lattice. The correlation studies reveal some interesting results and they lead to suggest some suitable model. (author). 5 refs., 3 figs

  17. Density functional study on the ferromagnetism of alkaline earth doped InN

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Kai-Cheng, E-mail: kczhang@yeah.net [College of Mathematics and Physics, Bohai University, Jinzhou 121013 (China); Li, Yong-Feng [Key laboratory of Integrated Exploitation of Bayan Obo Multi-Metal Resources, Inner Mongolia University of Science and Technology, Baotou 014010 (China); School of Mathematics, Physics and Biological Engineering, Inner Mongolia University of Science and Technology, Baotou 014010 (China); Liu, Yong [State Key Laboratory of Metastable Materials Science and Technology and College of Science, Yanshan University, Qinhuangdao, Hebei 066004 (China); Zhu, Yan [Department of Physics, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China)

    2015-03-15

    Highlights: • The magnetic properties of alkaline earth doped InN were systematically investigated. • The doped system transits from nonmagnetic state to half-metallic state. • Strong ferromagnetism can be expected in Sr- or Ba-doped InN. • Under nitrogen-rich condition, the defect is more stable. - Abstract: Recently, p-type conduction of InN doped by alkaline earth was reported in experiments. However, the magnetic property of the doped systems has not been studied. We systematically investigate the magnetic property of alkaline-earth doped InN by density-functional theory. Our results reveal that the ground state of the doped system transits from nonmagnetic state to spin-polarized state, and the holes introduced into the valence band become more localized as the defect ranges from Be to Ba. As a result, strong half-metallic ferromagnetism emerges for Sr- or Ba-doped InN. Our calculations reveal that the formation energy of defect is much lower for nitrogen-rich condition, under which the doped system can be favorably synthesized.

  18. Alkaline earth metal doped tin oxide as a novel oxygen storage material

    Energy Technology Data Exchange (ETDEWEB)

    Dong, Qiang, E-mail: dong@tagen.tohoku.ac.jp [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku Sendai 980-8577 (Japan); Yin, Shu; Yoshida, Mizuki; Wu, Xiaoyong; Liu, Bin [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku Sendai 980-8577 (Japan); Miura, Akira; Takei, Takahiro; Kumada, Nobuhiro [Department of Research Interdisciplinary Graduate School of Medicine and Engineering, University of Yamanashi, Miyamae cho-7, Kofu 400-8511 (Japan); Sato, Tsugio [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku Sendai 980-8577 (Japan)

    2015-09-15

    Alkaline earth metal doped tin oxide (SnO{sub 2}) hollow nanospheres with a diameter of 50 nm have been synthesized successfully via a facial solvothermal route in a very simple system composed of only ethanol, acetic acid, SnCl{sub 4}·5H{sub 2}O and A(NO{sub 3}){sub 2}·xH{sub 2}O (A = Mg, Ca, Sr, Ba). The synthesized undoped SnO{sub 2} and A-doped SnO{sub 2} hollow nanospheres were characterized by the oxygen storage capacity (OSC), X-ray diffraction, transmission electron microscopy and the Brunauer–Emmet–Teller (BET) technique. The OSC values of all samples were measured using thermogravimetric-differential thermal analysis. The incorporation of alkaline earth metal ion into tin oxide greatly enhanced the thermal stability and OSC. Especially, Ba-doped SnO{sub 2} hollow nanospheres calcined at 1000 °C for 20 h with a BET surface area of 61 m{sup 2} g{sup −1} exhibited the considerably high OSC of 457 μmol-O g{sup −1} and good thermal stability. Alkaline earth metal doped tin oxide has the potential to be a novel oxygen storage material.

  19. Spectroscopic studies of copper doped alkaline earth lead zinc phosphate glasses

    Energy Technology Data Exchange (ETDEWEB)

    Sastry, S. Sreehari, E-mail: sreeharisastry@yahoo.com [Department of Physics, Acharya Nagarjuna University, Nagarjunanagar 522510 (India); Rao, B. Rupa Venkateswara [Department of Physics, Acharya Nagarjuna University, Nagarjunanagar 522510 (India); Department of Physics, V.R. Siddhartha Engineering College, Vijayawada 52007 (India)

    2014-02-01

    In this paper spectroscopic investigation of Cu{sup 2+} doped alkaline earth lead zinc phosphate glasses was done through the spectroscopic techniques like X-ray diffraction, Ultra Violet (UV) absorption Spectroscopy, Electron Paramagnetic Resonance (EPR – X band), Fourier Transform Infra Red (FTIR) and Raman Spectroscopy. Alkaline earth lead zinc phosphate glasses containing 0.1% copper oxide (CuO) were prepared by the melt quenching technique. Spectroscopic studies indicated that there is a greater possibility for the copper ions to exist in Cu{sup 2+} state in these glasses. The optical absorption spectra indicated that the absorption peak of Cu{sup 2+} is a function of composition. The maxima absorption peak was reported at 862 nm for strontium lead zinc phosphate glass. Bonding parameters were calculated for the optical and EPR data. All these spectral results indicated clearly that there are certain structural changes in the present glass system with different alkaline earth contents. The IR and Raman spectra noticed the breaking of the P–O–P bonds and creating more number of new P–O–Cu bonds.

  20. Spectroscopic studies of copper doped alkaline earth lead zinc phosphate glasses

    Science.gov (United States)

    Sastry, S. Sreehari; Rao, B. Rupa Venkateswara

    2014-02-01

    In this paper spectroscopic investigation of Cu2+ doped alkaline earth lead zinc phosphate glasses was done through the spectroscopic techniques like X-ray diffraction, Ultra Violet (UV) absorption Spectroscopy, Electron Paramagnetic Resonance (EPR - X band), Fourier Transform Infra Red (FTIR) and Raman Spectroscopy. Alkaline earth lead zinc phosphate glasses containing 0.1% copper oxide (CuO) were prepared by the melt quenching technique. Spectroscopic studies indicated that there is a greater possibility for the copper ions to exist in Cu2+ state in these glasses. The optical absorption spectra indicated that the absorption peak of Cu2+ is a function of composition. The maxima absorption peak was reported at 862 nm for strontium lead zinc phosphate glass. Bonding parameters were calculated for the optical and EPR data. All these spectral results indicated clearly that there are certain structural changes in the present glass system with different alkaline earth contents. The IR and Raman spectra noticed the breaking of the P-O-P bonds and creating more number of new P-O-Cu bonds.

  1. Alkaline earth metal doped tin oxide as a novel oxygen storage material

    International Nuclear Information System (INIS)

    Alkaline earth metal doped tin oxide (SnO2) hollow nanospheres with a diameter of 50 nm have been synthesized successfully via a facial solvothermal route in a very simple system composed of only ethanol, acetic acid, SnCl4·5H2O and A(NO3)2·xH2O (A = Mg, Ca, Sr, Ba). The synthesized undoped SnO2 and A-doped SnO2 hollow nanospheres were characterized by the oxygen storage capacity (OSC), X-ray diffraction, transmission electron microscopy and the Brunauer–Emmet–Teller (BET) technique. The OSC values of all samples were measured using thermogravimetric-differential thermal analysis. The incorporation of alkaline earth metal ion into tin oxide greatly enhanced the thermal stability and OSC. Especially, Ba-doped SnO2 hollow nanospheres calcined at 1000 °C for 20 h with a BET surface area of 61 m2 g−1 exhibited the considerably high OSC of 457 μmol-O g−1 and good thermal stability. Alkaline earth metal doped tin oxide has the potential to be a novel oxygen storage material

  2. THE EFFECT OF CHARGE AND CHEMICAL STRUCTURE OF CATIONIC SURFACTANTS ON LASER TONER AGGLOMERATION UNDER ALKALINE PULPING CONDITIONS

    Directory of Open Access Journals (Sweden)

    Jie Jiang,

    2012-02-01

    Full Text Available Laboratory-scale agglomeration experiments followed by image analysis were used to evaluate the effectiveness of different cationic surfactants on the 1-octadecanol agglomeration of a negatively charged laser toner. Various types of surfactants with different geometric structures were investigated. It was found that this toner became agglomerated under neutral pulping conditions, but it did not agglomerate under alkaline conditions at all. A small amount of the cationic surfactant compensated for the agglomeration disruption caused by the negative surface charge of the toner and made this toner agglomerate very well. These cationic surfactants consist of a chemical structure of C12 to C18 saturated alkyl hydrophobic chains. The positive charge of these surfactants played the major role in alleviating agglomeration disruption. Additionally, an extra phenol group on these surfactants contributed only minor advantages for toner agglomeration in the presence of 1-octadecanol. The best co-agglomeration performance occurred within a very narrow range of similar total positive charge densities based on the total toner weight. It was also found that this positive charge effect could not be applied to the chemical compounds of high molecular weight polymeric materials.

  3. Enhancement effect of alkaline earth metal on the determination of aluminium by atomic absorption spectrometry with a graphite furnace

    OpenAIRE

    Matsusaki, Koji

    1987-01-01

    In the determination of aluminium by atomic absorption spectrometry with a graphite furnace, coexisting oxyanion salts of alkaline earth metal enhanced the aluminium atomic absorption. The relative absorbance was increased with decreasing of the ramp atomization rate and with decreasing of the sheathing gas flow rate less than 51 min^. These results show that the enhancement effect is caused by the reductivity of the carbide of alkaline earth metal which is formed in the furnace at ashing and...

  4. Chabazite: stable cation-exchanger in hyper alkaline concrete pore water.

    Science.gov (United States)

    Van Tendeloo, Leen; Wangermez, Wauter; Kurttepeli, Mert; de Blochouse, Benny; Bals, Sara; Van Tendeloo, Gustaaf; Martens, Johan A; Maes, André; Kirschhock, Christine E A; Breynaert, Eric

    2015-02-17

    To avoid impact on the environment, facilities for permanent disposal of hazardous waste adopt multibarrier design schemes. As the primary barrier very often consists of cement-based materials, two distinct aspects are essential for the selection of suitable complementary barriers: (1) selective sorption of the contaminants in the repository and (2) long-term chemical stability in hyperalkaline concrete-derived media. A multidisciplinary approach combining experimental strategies from environmental chemistry and materials science is therefore essential to provide a reliable assessment of potential candidate materials. Chabazite is typically synthesized in 1 M KOH solutions but also crystallizes in simulated young cement pore water, a pH 13 aqueous solution mainly containing K(+) and Na(+) cations. Its formation and stability in this medium was evaluated as a function of temperature (60 and 85 °C) over a timeframe of more than 2 years and was also asessed from a mechanistic point of view. Chabazite demonstrates excellent cation-exchange properties in simulated young cement pore water. Comparison of its Cs(+) cation exchange properties at pH 8 and pH 13 unexpectedly demonstrated an increase of the KD with increasing pH. The combined results identify chabazite as a valid candidate for inclusion in engineered barriers for concrete-based waste disposal.

  5. Creation of trapped electrons and holes in alkaline-earth fluoride crystals doped by rare-earth ions

    Science.gov (United States)

    Radzhabov, E.

    2002-06-01

    Defects in Ce 3+- and Eu 2+-doped alkaline-earth fluorides, created by vacuum ultraviolet (VUV) photons with energy lower than that of the band gap, were investigated by various methods: thermostimulated luminescence, photostimulated luminescence and optical absorption. The CaF 2:Eu 2+ thermoluminescence curves in the range of 60-330 K due to various types of trapped holes were the same after VUV illumination as after X-ray irradiation. Thermoluminescence curves of Ce 3+-doped alkaline-earth fluorides created by VUV illumination or X-ray irradiation were generally similar. However, Vk thermoluminescence peaks were absent in VUV-illuminated CaF 2:Ce 3+ and SrF 2:Ce 3+ crystals. Creation of Ce 2+ characteristic bands was observed in photostimulated luminescence spectra as well as in optical absorption spectra of vacuum ultraviolet-illuminated or X-ray-irradiated Ce 3+-doped crystals. The proposed mechanism of creation of trapped hole and trapped electron defects by vacuum ultraviolet illumination involves charge transfer-type transitions, in which the electron transfers from valence band to an impurity level, lying in the band gap. Comparison of all involved energies of transitions in the crystals investigated shows that the sum of all transition energies is less than that of the band gap by 1-3 eV. This energy difference can be considered as the energy of lattice relaxation around created Ce 2+ or Eu + ions.

  6. Electronic structures, mechanical and thermodynamic properties of cubic alkaline-earth hexaborides from first principles calculations

    International Nuclear Information System (INIS)

    Highlights: • The band gaps for CaB6, SrB6 and BaB6 depend sensitively on the values of lattice constant a and positional parameter z. • The order in elastic anisotropy is CaB6 > SrB6 > BaB6. • There are LO/TO splitting lines in the range of 5–10 THz at G point. - Abstract: The electronic structures, mechanical and thermodynamic properties of alkaline-earth hexaborides MB6 (M = Ca, Sr or Ba) are calculated from first principles using density functional theory combined with the quasi-harmonic approximation. These three alkaline-earth hexaborides are semiconductors with a slightly increased trend for their band gaps as M orders from Ca to Ba. Their band gaps depend sensitively on the values of lattice constant a and internal parameter z. The polycrystalline values of the elastic constants and bulk, shear and Young’s moduli are consistent with those determined experimentally. All alkaline-earth hexaborides have strongly anisotropic elastic properties in the order of CaB6 > SrB6 > BaB6. By using the phonon calculations, the thermodynamic properties are investigated. The obtained phonon dispersion relations for CaB6, SrB6, and BaB6 show similar features and there are LO/TO splitting lines in the range of 5–10 THz. Finally, the thermal conductivities of CaB6, SrB6 and BaB6 are evaluated via Clarke’s model and Cahill’s model

  7. STARK STRUCTURE OF THE RYDBERG STATES OF ALKALINE-EARTH ATOMS

    Institute of Scientific and Technical Information of China (English)

    郅妙婵; 戴长建; 李士本

    2001-01-01

    The Stark effects of the Rydberg states in the alkaline-earth atoms are studied theoretically. Using a method similar to the treatment of alkali atoms, the properties of the Stark states of Mg, Ca, Sr and Ba atoms in the regions far away from the perturbers are investigated. The Stark maps for Mg (n=16, M=0), Ca (n=10, M=0), Sr (n=12,M=0) and Ba (n=13, |M|=0,1) are presented. Topics such as the general methods of calculation, the treatment of fine structure, and the structure of level anti-crossings are discussed. The comparison between the theoretical and experimental Stark maps is satisfactory.

  8. Comparison of Ce$^{3+}$ and Pr$^{3+}$ activators in alkaline-earth fluoride crystals

    OpenAIRE

    Radzhabov, E.; Nepomnyaschikh, A.

    2012-01-01

    The emission spectra of Ce$^{3+}$ or Pr$^{3+}$ doped CaF$_2$, SrF$_2$, BaF$_2$ excited by vacuum ultraviolet photons or by x-ray as well as excitation and absorption spectra in vacuum ultraviolet region (6-13 eV) were studied. The transfer of exciton energy is the main channel for Ce$^{3+}$ excitation in alkaline-earth fluorides. Three different stages of energy transfer were observed. Pr$^{3+}$ excited by two processes, slow f-f luminescence excited by excitons, fast d-f luminescence excited...

  9. Optical tuning of the scattering length of cold alkaline earth atoms

    OpenAIRE

    Ciurylo, R.; Tiesinga, E.; P.S. Julienne

    2004-01-01

    It is possible to tune the scattering length for the collision of ultra-cold 1S0 ground state alkaline-earth atoms using an optical Feshbach resonance. This is achieved with a laser far detuned from an excited molecular level near the frequency of the atomic intercombination 1S0--3P1 transition. Simple resonant scattering theory, illustrated by the example of 40Ca, allows an estimate of the magnitude of the effect. Unlike alkali metal species, large changes of the scattering length are possib...

  10. Calculated Structural Phase-Transitions in the Alkaline-Earth Metals

    DEFF Research Database (Denmark)

    Skriver, Hans Lomholt

    1982-01-01

    The local-density approximation and the linear muffin-tin orbital method have been used within the atomic-sphere approximation to calculate structural energy differences for all the alkaline earth metals at zero temperature. At ordinary pressure the calculations predict the crystal structure sequ...... sequence hcp→fcc→bcc as a function of atomic number. As a function of pressure they predict the structure sequence fcc→bcc→hcp. The structural transitions and the onset of superconductivity under pressure are correlated with the d occupation number....

  11. Effects of Headgroups and Serum on Gene Transfection of Alkaline Amino Acid Based Cationic Lipids

    Institute of Scientific and Technical Information of China (English)

    LI Li; YANG Yang; NIE Yu; HE Bin; GU Zhong-wei

    2009-01-01

    Three cationic lipids with lysylated(l), histidylated(2), and arginylated(3) headgroups and cholesterol hy-drophobic moiety were synthesized. The average sizes of liposomes and lipoplexes were around 100 and 160 nm, re-spectively. The gene transfection efficiency of the three lipoplexes loaded with pGL3 or pORF-LacZ was compared on 293T cells in the presence or the absence of serum. The transfection efficiency of the three lipoplexes in a se-rum-free medium was 2 to 3-fold higher than that of dioleoyl-trimethylammonium propane(DOTAP). In the presence of serum, however, most of the lipoplexes showed lower transfection activities; only lipoplex 3 retained its high transfection efficiency.

  12. 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

  13. 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

  14. Long-range interacting many-body systems with alkaline-earth-metal atoms.

    Science.gov (United States)

    Olmos, B; Yu, D; Singh, Y; Schreck, F; Bongs, K; Lesanovsky, I

    2013-04-01

    Alkaline-earth-metal atoms can exhibit long-range dipolar interactions, which are generated via the coherent exchange of photons on the (3)P(0) - (3)D(1) transition of the triplet manifold. In the case of bosonic strontium, which we discuss here, this transition has a wavelength of 2.6 μm and a dipole moment of 4.03 D, and there exists a magic wavelength permitting the creation of optical lattices that are identical for the states (3)P(0) and (3)D(1). This interaction enables the realization and study of mixtures of hard-core lattice bosons featuring long-range hopping, with tunable disorder and anisotropy. We derive the many-body master equation, investigate the dynamics of excitation transport, and analyze spectroscopic signatures stemming from coherent long-range interactions and collective dissipation. Our results show that lattice gases of alkaline-earth-metal atoms permit the creation of long-lived collective atomic states and constitute a simple and versatile platform for the exploration of many-body systems with long-range interactions. As such, they represent an alternative to current related efforts employing Rydberg gases, atoms with large magnetic moment, or polar molecules.

  15. 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.

  16. Long-range interacting many-body systems with alkaline-earth-metal atoms

    CERN Document Server

    Olmos, B; Singh, Y; Schreck, F; Bongs, K; Lesanovsky, I

    2012-01-01

    Alkaline-earth-metal atoms exhibit long-range dipolar interactions, which are generated via the coherent exchange of photons on the 3P_0-3D_1-transition of the triplet manifold. In case of bosonic strontium, which we discuss here, this transition has a wavelength of 2.7 \\mu m and a dipole moment of 2.46 Debye, and there exists a magic wavelength permitting the creation of optical lattices that are identical for the states 3P_0 and 3D_1. This interaction enables the realization and study of mixtures of hard-core lattice bosons featuring long-range hopping, with tuneable disorder and anisotropy. We derive the many-body Master equation, investigate the dynamics of excitation transport and analyze spectroscopic signatures stemming from coherent long-range interactions and collective dissipation. Our results show that lattice gases of alkaline-earth-metal atoms permit the creation of long-lived collective atomic states and constitute a simple and versatile platform for the exploration of many-body systems with lon...

  17. Calculation of the lowest electronic excitations of the alkaline earth metals using the relativistic polarization propagator

    Energy Technology Data Exchange (ETDEWEB)

    Brandt, Sven; Pernpointner, Markus, E-mail: Markus.Pernpointner@pci.uni-heidelberg.de

    2015-07-09

    Highlights: • We perform four-component correlated excitation spectra calculations of the alkaline earth metals. • We stress the relevance of a relativistic treatment in case of heavy systems. • The excellent performance of two-component variants is shown. • The wide applicability of propagators for accurate electronic structure calculations is demonstrated. - Abstract: In this work we use the recently implemented four-component polarization propagator for accurate single excitation calculations of alkaline earth metals and compare our results to experimental data. Various approximations to the Dirac–Coulomb Hamiltonian are additionally tested. In Ca spin–orbit coupling already leads to noticeable zero field splitting, which gradually increases for the heavier homologs finally invalidating the singlet and triplet state characterizations. For all systems we observe a very good agreement with experimental transition energies in the considered energy range. For Sr, Ba and Ra non-relativistic approaches already exhibit unacceptable deviations in the reproduction of transition energies and spectral structure. The obtained excited final states are analyzed in terms of atomic donor and acceptor orbital contributions. Our results stress the necessity to use relativistic implementations of the polarization propagator for an accurate description of both electron correlation and relativistic effects contributing to excitation spectra of heavy systems.

  18. Porphyrin-Alkaline Earth MOFs with the Highest Adsorption Capacity for Methylene Blue.

    Science.gov (United States)

    Hou, Yuxia; Sun, Junshan; Zhang, Daopeng; Qi, Dongdong; Jiang, Jianzhuang

    2016-04-25

    A series of four porphyrin-alkaline earth metal- organic frameworks [Mg(HDCPP)2 (DMF)2 ]n ⋅(H2 O)7 n (1), [Ca(HDCPP)2 (H2 O)2 ]n (DMF)1.5 n (2), [Sr(DCPP)(H2 O)(DMA)]n (3), and [Ba(DCPP)(H2 O)(DMA)]n (4) was isolated for the first time from solvothermal reaction between metal-free 5,15-di(4- carboxyphenyl)porphyrin (H2 DCPP) and alkaline earth ions. Single-crystal X-ray diffraction analysis reveals the 2D and 3D supramolecular network with periodic nanosized porosity for 1/2 and 3/4, respectively. The whole series of MOFs, in particular, compounds 1 and 2 with intrinsic low molecular formula weight, exhibit superior adsorption performance for methylene blue (MB) with excellent capture capacity as represented by the thus far highest adsorption amount of 952 mg g(-1) for 2 and good selectivity, opening a new way for the potential application of the main group metal-based MOFs. PMID:27002679

  19. Three-photon process for producing a degenerate gas of metastable alkaline-earth-metal atoms

    Science.gov (United States)

    Barker, D. S.; Pisenti, N. C.; Reschovsky, B. J.; Campbell, G. K.

    2016-05-01

    We present a method for creating a quantum degenerate gas of metastable alkaline-earth-metal atoms. This has yet to be achieved due to inelastic collisions that limit evaporative cooling in the metastable states. Quantum degenerate samples prepared in the 1S0 ground state can be rapidly transferred to either the 3P2 or 3P0 state via a coherent three-photon process. Numerical integration of the density-matrix evolution for the fine structure of bosonic alkaline-earth-metal atoms shows that transfer efficiencies of ≃90 % can be achieved with experimentally feasible laser parameters in both Sr and Yb. Importantly, the three-photon process can be set up such that it imparts no net momentum to the degenerate gas during the excitation, which will allow for studies of metastable samples outside the Lamb-Dicke regime. We discuss several experimental challenges to successfully realizing our scheme, including the minimization of differential ac Stark shifts between the four states connected by the three-photon transition.

  20. A 3-photon process for producing degenerate gases of metastable alkaline-earth atoms

    Science.gov (United States)

    Barker, Daniel S.; Pisenti, Neal C.; Reschovsky, Benjamin J.; Campbell, Gretchen K.

    2016-05-01

    We present a method for creating quantum degenerate gases of metastable alkaline-earth atoms. A degenerate gas in any of the 3 P metastable states has not previously been obtained due to large inelastic collision rates, which are unfavorable for evaporative cooling. Samples prepared in the 1S0 ground state can be rapidly transferred to either the 3P2 or 3P0 state via a coherent 3-photon process. Numerical integration of the density matrix evolution for the fine structure of bosonic alkaline-earth atoms shows that transfer efficiencies of ~= 90 % can be achieved with experimentally feasible laser parameters in both Sr and Yb. Importantly, the 3-photon process does not impart momentum to the degenerate gas during excitation, which allows studies of these metastable samples outside the Lamb-Dicke regime. We discuss several experimental challenges to the successful realization of our scheme, including the minimization of differential AC Stark shifts between the four states connected by the 3-photon transition.

  1. Alkali cation specific adsorption onto fcc(111) transition metal electrodes.

    Science.gov (United States)

    Mills, J N; McCrum, I T; Janik, M J

    2014-07-21

    The presence of alkali cations in electrolyte solutions is known to impact the rate of electrocatalytic reactions, though the mechanism of such impact is not conclusively determined. We use density functional theory (DFT) to examine the specific adsorption of alkali cations to fcc(111) electrode surfaces, as specific adsorption may block catalyst sites or otherwise impact surface catalytic chemistry. Solvation of the cation-metal surface structure was investigated using explicit water models. Computed equilibrium potentials for alkali cation adsorption suggest that alkali and alkaline earth cations will specifically adsorb onto Pt(111) and Pd(111) surfaces in the potential range of hydrogen oxidation and hydrogen evolution catalysis in alkaline solutions.

  2. Metal based synthetic routes to heavy alkaline earth aryloxo complexes involving ligands of moderate steric bulk.

    Science.gov (United States)

    Deacon, Glen B; Junk, Peter C; Moxey, Graeme J; Guino-o, Marites; Ruhlandt-Senge, Karin

    2009-07-01

    Treatment of an alkaline earth metal (Ca, Sr, Ba) with 2,4,6-trimethylphenol (HOmes) at elevated temperatures in the presence of mercury under solvent-free conditions, followed by extraction of the reaction mixture with 1,2-dimethoxyethane (dme), afforded dinuclear alkaline earth aryloxo complexes [Ae2(Omes)4(dme)4] (Ae = Ca 1, Sr 3, Ba 6). Extraction of the Ca metal and HOmes reaction mixture with thf afforded [Ca3(Omes)6(thf)] 2. In contrast, redox transmetallation ligand exchange reactions between an alkaline earth metal, diphenylmercury and HOmes in dme yielded solely 1 for Ca metal, a mixture of 3 and the methoxide bridged cage [Sr5(Omes)5(OMe)5(dme)4] x 2dme 4 for Sr metal, and solely [Ba5(Omes)5(OMe)5(dme)4] x dme 7 for Ba metal. The methoxide ligands originate from the C-O activation of the dme solvent. Treatment of liquid ammonia activated Sr or Ba metal with HOmes in thf afforded the linear species [Ae3(Omes)6(thf)6] (Ae = Sr 5, Ba 8), and 8 was also obtained from barium metal and HOmes in refluxing thf. The structures of 1 and 3, determined by X-ray crystallography, consist of two six coordinate Ae metal atoms, to each of which is bound a terminal aryloxide ligand, two bridging aryloxide ligands, and chelating and unidentate dme ligands. The structures of 4 and 7 contain five Ae metal atoms arranged on the vertices of a distorted square based pyramid. The Ae atoms are linked by four mu3-OMe ligands and a mu4-OMe ligand. Four bridging aryloxide ligands and four chelating dme ligands complete the coordination spheres of the four seven coordinate Ae atoms at the base of the pyramid, and a terminal aryloxide ligand is bound to the five coordinate apical Ae atom. The structures of 5 and 8 consist of a trinuclear linear array of Ae metal atoms, and contain solely bridging aryloxide ligands. Three thf ligands are bound to each terminal Ae atom, giving all Ae atoms a coordination number of six. PMID:19662279

  3. Influence of monovalent alkaline metal cations on binder-free nano-zeolite X in para-xylene separation

    Institute of Scientific and Technical Information of China (English)

    Milad Rasouli; Nakisa Yaghobi; Hossein Atashi; Majid Rasouli

    2015-01-01

    The adsorption process was studied for separating para-xylene from xylene mixture on modified nano-zeolite X in a breakthrough system. Nano-zeolitic adsorbent with different ratios of SiO2/Al2O3 was synthesized through hydrothermal process and ion-exchanged with alkaline metal cations like lithium, sodium and potassium. The product was characterized by X-ray diffraction, scanning electron microscopy (SEM), nitrogen adsorption, transform electron microscopy (TEM) and in situ Fourier transform infrared (FTIR) spectroscopy. The influence of nano-zeolite water content and desorbent type on the selectivity of para-xylene toward other C8 aromatic isomers was studied. The optimization of adsorption process was also investigated under variable operation conditions. The isotherm for each isomer of C8 aromatics and the desorbents possess the adsorption characteristics of Langmuir type. The selectivity factor of para-xylene relative to each of meta-xylene, ortho-xylene and ethylben-zene under the optimum conditions obtained to be 5.36, 2.43 and 3.22, in the order given.

  4. 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.

  5. 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

    2016-04-01

    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. PMID:27001855

  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., III

    2016-04-01

    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. Structure elucidation of alkaline earth impregnated MCM-41 type mesoporous materials obtained by direct synthesis: An experimental and theoretical study

    Science.gov (United States)

    Paz, Gizeuda L.; Silva, Francisco das Chagas M.; Araújo, Maciel M.; Lima, Francisco das Chagas A.; Luz, Geraldo E.

    2014-06-01

    In this work, MCM-41 were synthesized hydrothermally and functionalized with calcium and strontium salts by direct method, using the Si/M = 50 molar ratio, in order to elucidate the way as the alkaline earth is incorporated on MCM-41 molecular sieve. The materials were characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy, nitrogen adsorption-desorption and theoretical calculations by DFT method. Experimental results and computer simulations showed that the alkaline earths were incorporated on MCM-41 through a complex structure, which negatively influences on basic sites formation.

  8. Prospects for sympathetic cooling of polar molecules: NH with alkali-metal and alkaline-earth atoms - a new hope

    CERN Document Server

    Soldán, Pavel; Hutson, Jeremy M

    2009-01-01

    We explore the potential energy surfaces for NH molecules interacting with alkali-metal and alkaline-earth atoms using highly correlated ab-initio electronic structure calculations. The surfaces for interaction with alkali-metal atoms have deep wells dominated by covalent forces. The resulting strong anisotropies will produce strongly inelastic collisions. The surfaces for interaction with alkaline-earth atoms have shallower wells that are dominated by induction and dispersion forces. For Be and Mg the anisotropy is small compared to the rotational constant of NH, so that collisions will be relatively weakly inelastic. Be and Mg are thus promising coolants for sympathetic cooling of NH to the ultracold regime.

  9. Electric dipole polarizability of alkaline-Earth-metal atoms from perturbed relativistic coupled-cluster theory with triples

    CERN Document Server

    Chattopadhyay, S; Angom, D

    2014-01-01

    The perturbed relativistic coupled-cluster (PRCC) theory is applied to calculate the electric dipole polarizabilities of alkaline Earth metal atoms. The Dirac-Coulomb-Breit atomic Hamiltonian is used and we include the triple excitations in the relativistic coupled-cluster (RCC) theory. The theoretical issues related to the triple excitation cluster operators are described in detail and we also provide details on the computational implementation. The PRCC theory results are in good agreement with the experimental and previous theoretical results. We, then, highlight the importance of considering the Breit interaction for alkaline Earth metal atoms.

  10. Lifshitz and other transitions in alkaline-earth 122 pnictides under pressure

    Science.gov (United States)

    Quader, Khandker; Widom, Michael

    2014-10-01

    We carry out T =0 first-principles total energy calculations in the entire set of alkaline 122-pnictides (A Fe2As2 ; A = alkaline-earth element Ca, Sr, Ba, Ra) as a function of hydrostatic pressure. We find multiple distinct transitions to occur, namely an enthalpic transition in which the zero-pressure striped antiferromagnetic orthorhombic (OR-AFM) phase becomes thermodynamically less stable than a competing tetragonal (T) phase, a magnetic transition in which the OR-AFM phase loses its magnetism and orthorhombicity, and a lattice parameter anomaly in which the tetragonal c-axis collapses and a collapsed tetragonal (cT) phase becomes stable. Our results for energy band dispersions and spectra, lattice parameters, enthalpies, magnetism, and elastic constants over a wide range of hydrostatic pressure provide a coherent understanding of these experimentally observed transitions. In particular, the T-cT transition and anomalies in lattice parameters and elastic properties, observed at finite temperatures, are interpreted as arising from proximity to T =0 Lifshitz transitions, wherein pressure causes nontrivial changes in the Fermi surface topology in these materials.

  11. Impacts of artificial ocean alkalinization on the carbon cycle and climate in Earth system simulations

    Science.gov (United States)

    González, Miriam Ferrer; Ilyina, Tatiana

    2016-06-01

    Using the state-of-the-art emissions-driven Max Planck Institute Earth system model, we explore the impacts of artificial ocean alkalinization (AOA) with a scenario based on the Representative Concentration Pathway (RCP) framework. Addition of 114 Pmol of alkalinity to the surface ocean stabilizes atmospheric CO2 concentration to RCP4.5 levels under RCP8.5 emissions. This scenario removes 940 GtC from the atmosphere and mitigates 1.5 K of global warming within this century. The climate adjusts to the lower CO2 concentration preventing the loss of sea ice and high sea level rise. Seawater pH and the carbonate saturation state (Ω) rise substantially above levels of the current decade. Pronounced differences in regional sensitivities to AOA are projected, with the Arctic Ocean and tropical oceans emerging as hot spots for biogeochemical changes induced by AOA. Thus, the CO2 mitigation potential of AOA comes at a price of an unprecedented ocean biogeochemistry perturbation with unknown ecological consequences.

  12. Laser-Induced Kondo Effect in Ultracold Alkaline-Earth Fermions.

    Science.gov (United States)

    Nakagawa, Masaya; Kawakami, Norio

    2015-10-16

    We demonstrate that laser excitations can coherently induce a novel Kondo effect in ultracold atoms in optical lattices. Using a model of alkaline-earth fermions with two orbitals, it is shown that the optically coupled two internal states are dynamically entangled to form the Kondo-singlet state, overcoming the heating effect due to the irradiation. Furthermore, a lack of SU(N) symmetry in the optical coupling provides a peculiar feature in the Kondo effect, which results in spin-selective renormalization of effective masses. We also discuss the effects of interorbital exchange interactions, and reveal that they induce novel crossover or reentrant behavior of the Kondo effect owing to control of the coupling anisotropy. The laser-induced Kondo effect is highly controllable by tuning the laser strength and the frequency, and thus offers a versatile platform to study the Kondo physics using ultracold atoms.

  13. Theoretical study of the dipole moments of selected alkaline-earth halides

    Science.gov (United States)

    Langhoff, S. R.; Bauschlicher, C. W., Jr.; Partridge, H.; Ahlrichs, R.

    1986-01-01

    Ab initio calculations at the self-consistent-field (SCF), singles-plus-doubles configuration-interaction (SDCI), and coupled-pair functional (CPF) level, are reported for the dipole moments and dipole derivatives of the X2Sigma(+) ground states of BeF, BeCl, MgF, MgCl, CaF, CaCl, and SrF. For comparison, analogous calculations are performed for the X1Sigma(+) state of KCl. The CPF results are found to be in remarkably better agreement with experiment than are the SCF and SDCI results. Apparently higher excitations are required to properly describe the radial extent along the bond axis of the remaining valence electron on the alkaline-earth metal.

  14. Preparations of Pure Alkaline Earth Molybdate Phases from Single Molecular Precursors

    Institute of Scientific and Technical Information of China (English)

    JIANG Ya-qi; ZHAO Hong; FANG Zhi-min; WAN Hui-lin; XIONG Ming; ZHOU Zhao-hui

    2004-01-01

    The pure phases of alkaline earth molybdates MMoO4, where M=Mg, Ca, Sr or Ba, were synthesized via the calcination of the related citrato oxomolybdate complexes. The mixed metal oxides can be highly dispersed at the atomic level due to the existence of uniform citrato oxomolybdenum precursors in definite composition. The complexing effect helps to produce the fine-grained oxides with particle size in the ultrafine scale(<100 nm) at heat-treatment temperatures below 500 ℃. The structures of the precursor complexes and the finally heat-treated particles were studied by means of IR, XRD, DSC, DTA and TG techniques. The morphologies of the particles were observed by using the SEM technique. The average particle sizes were calculated to be in the range of 30-50 nm based on X-ray diffraction line-broadening and SEM images, indicating the poor conglomeration of crystallite at low temperatures.

  15. Parity violating radiative emission of neutrino pair in heavy alkaline earth atoms of even isotopes

    CERN Document Server

    Yoshimura, M; Uetake, S

    2014-01-01

    Metastable excited states ${}^3P_2, {}^3P_0$ of heavy alkaline earth atoms of even isotopes are studied for parity violating (PV) effects in radiative emission of neutrino pair (RENP). PV terms arise from interference between two diagrams containing neutrino pair emission of valence spin current and nuclear electroweak charge density proportional to the number of neutrons in nucleus. This mechanism gives large PV effects, since it does not suffer from the suppression of 1/(electron mass) usually present for non-relativistic atomic electrons. A controllable magnetic field is crucial to identify RENP process by measuring PV observables. Results of PV asymmetries under the magnetic field reversal and the photon circular polarization reversal are presented for an example of Yb atom.

  16. State-dependent lattices for quantum computing with alkaline-earth-metal atoms

    CERN Document Server

    Daley, Andrew J; Zoller, Peter

    2011-01-01

    Recent experimental progress with Alkaline-Earth atoms has opened the door to quantum computing schemes in which qubits are encoded in long-lived nuclear spin states, and the metastable electronic states of these species are used for manipulation and readout of the qubits. Here we discuss a variant of these schemes, in which gate operations are performed in nuclear-spin-dependent optical lattices, formed by near-resonant coupling to the metastable excited state. This provides an alternative to a previous scheme [A. J. Daley, M. M. Boyd, J. Ye, and P. Zoller, Phys. Rev. Lett 101, 170504 (2008)], which involved independent lattices for different electronic states. As in the previous case, we show how existing ideas for quantum computing with Alkali atoms such as entanglement via controlled collisions can be freed from important technical restrictions. We also provide additional details on the use of collisional losses from metastable states to perform gate operations via a lossy blockade mechanism.

  17. Core-Shell Magneto-Optical Trap for Alkaline-Earth-Metal-Like Atoms

    CERN Document Server

    Lee, Jeongwon; Noh, Jiho; Mun, Jongchul

    2014-01-01

    We propose and demonstrate a new magneto-optical trap (MOT) for alkaline-earth-metal-like (AEML) atoms where the narrow $^{1}S_{0}\\rightarrow$$^{3}P_{1}$ transition and the broad $^{1}S_{0}\\rightarrow$$^{1}P_{1}$ transition are spatially arranged into a core-shell configuration. Our scheme resolves the main limitations of previously adopted MOT schemes, leading to a significant increase in both the loading rate and the steady state atom number. We apply this scheme to $^{174}$Yb MOT, where we show about a hundred-fold improvement in the loading rate and ten-fold improvement in the steady state atom number compared to reported cases that we know of to date. This technique could be readily extended to other AEML atoms to increase the statistical sensitivity of many different types of precision experiments.

  18. Optical tuning of the scattering length of cold alkaline earth atoms

    CERN Document Server

    Ciurylo, R; Julienne, P S

    2004-01-01

    It is possible to tune the scattering length for the collision of ultra-cold 1S0 ground state alkaline-earth atoms using an optical Feshbach resonance. This is achieved with a laser far detuned from an excited molecular level near the frequency of the atomic intercombination 1S0--3P1 transition. Simple resonant scattering theory, illustrated by the example of 40Ca, allows an estimate of the magnitude of the effect. Unlike alkali metal species, large changes of the scattering length are possible while atom loss remains small, because of the very narrow line width of the molecular photoassociation transition. This raises prospects for control of atomic interactions for a system without magnetically tunable Feshbach resonance levels.

  19. Photon Hall Scattering from Alkaline-earth-like atoms and Alkali-like ions

    CERN Document Server

    van Tiggelen, B A

    2016-01-01

    We investigate the possibility of observing a magneto-transverse scattering of photons from alkaline-earth-like atoms as well as alkali-like ions and provide orders of magnitude. The transverse magneto-scattering is physically induced by the interference between two possible quantum transitions of an outer electron in a S-state, one dispersive electric-dipole transition to a P-orbital state and a second resonant electric-quadrupole transition to a P-orbital state. In contrast with previous mechanisms proposed for such an atomic photonic Hall effect, no real photons are scattered by the electric-dipole allowed transition, which increases the ratio of Hall current to background photons significantly. The main experimental challenge is to overcome the small detection threshold, with only 10^{-5} photons scattered per atom per second.

  20. Calculation of the lowest electronic excitations of the alkaline earth metals using the relativistic polarization propagator

    Science.gov (United States)

    Brandt, Sven; Pernpointner, Markus

    2015-07-01

    In this work we use the recently implemented four-component polarization propagator for accurate single excitation calculations of alkaline earth metals and compare our results to experimental data. Various approximations to the Dirac-Coulomb Hamiltonian are additionally tested. In Ca spin-orbit coupling already leads to noticeable zero field splitting, which gradually increases for the heavier homologs finally invalidating the singlet and triplet state characterizations. For all systems we observe a very good agreement with experimental transition energies in the considered energy range. For Sr, Ba and Ra non-relativistic approaches already exhibit unacceptable deviations in the reproduction of transition energies and spectral structure. The obtained excited final states are analyzed in terms of atomic donor and acceptor orbital contributions. Our results stress the necessity to use relativistic implementations of the polarization propagator for an accurate description of both electron correlation and relativistic effects contributing to excitation spectra of heavy systems.

  1. 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.

  2. 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.

  3. 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.

  4. Effect of Composition and Impurities on the Phosphorescence of Green-Emitting Alkaline Earth Aluminate Phosphor.

    Directory of Open Access Journals (Sweden)

    Doory Kim

    Full Text Available Recent improvements to SrAl2O4:Eu2+, Dy3+ phosphors have enabled the use of luminescent hosts with a stable crystal structure and high physical and chemical stability, thus overcoming the bottleneck in the applicability of ZnS:Cu phosphors. However, enhancement of afterglow lifetime and brightness in SrAl2O4:Eu2+, Dy3+ phosphors remains a challenging task. Here, we have improved the afterglow characteristics in terms of persistence time and brightness by a systematic investigation of the composition of Eu-doped alkaline earth aluminate SrAl2O4:Eu2+, Dy3+ crystals. We found that a Dy3+/Eu2+ ratio of ~2.4 and ~0.935 mol Eu2+ (per mol of SrAl2O4 gave the brightest and longest emissions (11% and 9% increase for each. Doping with Si4+ also resulted in a slight increase in brightness up to ~15%. Doping with alkali metal or alkaline earth metal significantly enhanced the phosphorescence intensity. In particular, doping with 0.005 mol Li+ (per mol of SrAl2O4 alone boosted the phosphorescence intensity to 239% of the initial value, as compared to that observed for the non-doped crystal, while doping with 0.01 mol Mg2+ and 0.005 mol Li+ (per 1 mol SrAl2O4 boosted the phosphorescence intensity up to 313% of the initial value. The results of this investigation are expected to act as a guideline for the synthesis of bright and long persistent phosphors, and facilitate the development of persistent phosphors with afterglow characteristics superior to those of conventional phosphors.

  5. Effect of Composition and Impurities on the Phosphorescence of Green-Emitting Alkaline Earth Aluminate Phosphor

    Science.gov (United States)

    Kim, Doory; Kim, Han-Eol; Kim, Chang-Hong

    2016-01-01

    Recent improvements to SrAl2O4:Eu2+, Dy3+ phosphors have enabled the use of luminescent hosts with a stable crystal structure and high physical and chemical stability, thus overcoming the bottleneck in the applicability of ZnS:Cu phosphors. However, enhancement of afterglow lifetime and brightness in SrAl2O4:Eu2+, Dy3+ phosphors remains a challenging task. Here, we have improved the afterglow characteristics in terms of persistence time and brightness by a systematic investigation of the composition of Eu-doped alkaline earth aluminate SrAl2O4:Eu2+, Dy3+ crystals. We found that a Dy3+/Eu2+ ratio of ~2.4 and ~0.935 mol Eu2+ (per mol of SrAl2O4) gave the brightest and longest emissions (11% and 9% increase for each). Doping with Si4+ also resulted in a slight increase in brightness up to ~15%. Doping with alkali metal or alkaline earth metal significantly enhanced the phosphorescence intensity. In particular, doping with 0.005 mol Li+ (per mol of SrAl2O4) alone boosted the phosphorescence intensity to 239% of the initial value, as compared to that observed for the non-doped crystal, while doping with 0.01 mol Mg2+ and 0.005 mol Li+ (per 1 mol SrAl2O4) boosted the phosphorescence intensity up to 313% of the initial value. The results of this investigation are expected to act as a guideline for the synthesis of bright and long persistent phosphors, and facilitate the development of persistent phosphors with afterglow characteristics superior to those of conventional phosphors. PMID:26731086

  6. Ab Initio Calculation of 19F NMR Chemical Shielding for Alkaline-earth-metal Fluorides

    Institute of Scientific and Technical Information of China (English)

    CAI,Shu-Hui(蔡淑惠); CHEN,Zhong,(陈忠); LU,Xin(吕鑫); CHEN,Zhi-Wei(陈志伟); WAN,Hui-Lin(万惠霖)

    2001-01-01

    Gauge-independent atomic orbital (GIAO) method atHartree-Fock (HF) and density functional theory (DFr) lev-els,respectively,was employed to calculate 19F NMR chemi-cal shieldings of solid state alkaline-earth-metal fluorides MF2 (M = Mg,Ca,Sr,Ba).The results show that,although thecalculated19F chemical shieldings tend to be larger than the experinental values,they have a fairly good linear relation-ship with the observed ones.The calculated results based on different combinations of basis sets show that the B3LYP (ahybrid of DFT with HF) predictions are greatly superior tothe I-IF predictions.When a basis set of metal atom with ef- fecfive core potential (ECP) has well representation of valencewavefunction,especially wavefuncfion of d component,andproper definition of core electron nmnher,it can be applied toobtain 19F chemical shielding which is dose to that of all-elec-tron calculation.Tne variation of 19F chemical shielding of al-kaline-earth-metal fluorides correlates well with the latticefactor A/R2.``

  7. 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.

  8. 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 al

  9. IUPAC-NIST Solubility Data Series. 95. Alkaline Earth Carbonates in Aqueous Systems. Part 1. Introduction, Be and Mg

    Science.gov (United States)

    De Visscher, Alex; Vanderdeelen, Jan; Königsberger, Erich; Churagulov, Bulat R.; Ichikuni, Masami; Tsurumi, Makoto

    2012-03-01

    The alkaline earth carbonates are an important class of minerals. This volume compiles and critically evaluates solubility data of the alkaline earth carbonates in water and in simple aqueous electrolyte solutions. Part 1, the present paper, outlines the procedure adopted in this volume in detail, and presents the beryllium and magnesium carbonates. For the minerals magnesite (MgCO3), nesquehonite (MgCO3.3H2O), and lansfordite (MgCO3.5H2O), a critical evaluation is presented based on curve fits to empirical and/or thermodynamic models. Useful side products of the compilation and evaluation of the data outlined in the introduction are new relationships for the Henry constant of CO2 with Sechenov parameters, and for various equilibria in the aqueous phase including the dissociation constants of CO2(aq) and the stability constant of the ion pair MCO30(aq) (M = alkaline earth metal). Thermodynamic data of the alkaline earth carbonates consistent with two thermodynamic model variants are proposed. The model variant that describes the Mg2+-HCO3- ion interaction with Pitzer parameters was more consistent with the solubility data and with other thermodynamic data than the model variant that described the interaction with a stability constant.

  10. Influence of base strength on the catalytic performance of nano-sized alkaline earth metal oxides supported on carbon nanofibers

    NARCIS (Netherlands)

    Frey, A.M.; Yang, J.; Feche, C.; Essayem, N.; Stellwagen, D.R.; Figueras, F.; Jong, de K.P.; Bitter, J.H.

    2013-01-01

    Nano-sized (3 nm) alkaline earth metal oxides supported on carbon nanofibers were prepared by a facile impregnation and heat treatment method of the corresponding nitrates. These supported catalysts showed a significant improved activity for the aldol reaction and transesterification compared to the

  11. Electric dipole polarizabilities at imaginary frequencies for the alkali-metal, alkaline-earth, and inert gas atoms

    CERN Document Server

    Derevianko, Andrei; Babb, James F

    2009-01-01

    The electric dipole polarizabilities evaluated at imaginary frequencies for hydrogen, the alkali-metal atoms, the alkaline earth atoms, and the inert gases are tabulated along with the resulting values of the atomic static polarizabilities, the atom-surface interaction constants, and the dispersion (or van der Waals) constants for the homonuclear and the heteronuclear diatomic combinations of the atoms.

  12. Superconducting critical fields of alkali and alkaline-earth intercalates of MoS2

    Science.gov (United States)

    Woollam, J. A.; Somoano, R. B.

    1976-01-01

    Results are reported for measurements of the critical-field anisotropy and temperature dependence of group-VIB semiconductor MoS2 intercalated with the alkali and alkaline-earth metals Na, K, Rb, Cs, and Sr. The temperature dependences are compared with present theories on the relation between critical field and transition temperature in the clean and dirty limits over the reduced-temperature range from 1 to 0.1. The critical-field anisotropy data are compared with predictions based on coupled-layers and thin-film ('independent-layers') models. It is found that the critical-field boundaries are steep in all cases, that the fields are greater than theoretical predictions at low temperatures, and that an unusual positive curvature in the temperature dependence appears which may be related to the high anisotropy of the layer structure. The results show that materials with the largest ionic intercalate atom diameters and hexagonal structures (K, Rb, and Cs compounds) have the highest critical temperatures, critical fields, and critical-boundary slopes; the critical fields of these materials are observed to exceed the paramagnetic limiting fields.

  13. Structure of alkaline-earth pentafluoroantimonates(III), MSbF5(M=Sr, Ba)

    International Nuclear Information System (INIS)

    Strontium pentafluoroantimonate(III), SrSbF5, Mr=304.36, orthorhombic, Pbcm, a=4.378 (1), b=8.853 (3), c=11.233 (4) A, V=435.4 (3) A3, Z=4, Dm=4.60, Dx=4.64 Mg m-3, Mo Kα, λ=0.71069 A, μ=18.9 mm-1, F(000)=536, T=298 K, R=0.028 for 596 independent reflections with I>3α(I). Barium pentafluoroantimonate(III), BaSbF5, Mr=354.08, orthorhombic, Pbcm, a=4.676 (1), b=9.313 (2), c=11.213 (3) A, V=488.3 (2) A3, Z=4, Dm=4.77, Dx=4.82 Mg m-3, Mo Kα, λ=0.71069 A, μ=13.6 mm-1, F(000)=608, T=298 K, R=0.015 for 914 independent reflections with I>3σ(I). SrSbF5 and BaSbF5 are isostructural compounds. The three-dimensional network consists of isolated SbF52- units which are connected by ten-coordinated alkaline-earth ions Sr2+ or Ba2+. The geometry of these pentafluoroantimonate ions is approximately square pyramidal with the Sb atom outside the pyramid, below the four F atoms constituting the basal plane. (orig.)D

  14. CP(N-1) Quantum Field Theories with Alkaline-Earth Atoms in Optical Lattices

    CERN Document Server

    Laflamme, C; Dalmonte, M; Gerber, U; Mejía-Díaz, H; Bietenholz, W; Wiese, U -J; Zoller, P

    2015-01-01

    We propose a cold atom implementation to attain the continuum limit of (1+1)-d CP(N-1) quantum field theories. These theories share important features with (3+1)-d QCD, such as asymptotic freedom and $\\theta$ vacua. Moreover, their continuum limit can be accessed via the mechanism of dimensional reduction. In our scheme, the CP(N-1) degrees of freedom emerge at low energies from a ladder system of SU(N) quantum spins, where the N spin states are embodied by the nuclear Zeeman states of alkaline-earth atoms, trapped in an optical lattice. Based on Monte Carlo results, we establish that the continuum limit can be demonstrated by an atomic quantum simulation by employing the feature of asymptotic freedom. We discuss a protocol for the adiabatic state preparation of the ground state of the system, the real-time evolution of a false $\\theta$-vacuum state after a quench, and we propose experiments to unravel the phase diagram at non-zero density.

  15. Thermodynamic properties of titanates, zirconates and hafnates of alkaline earth metals

    International Nuclear Information System (INIS)

    The problems are considered arising in critical analysis and choosing recommended values of thermodynamic constants of the series of the most important perovskites-ferroelectrics-titanates, zirconates, and hafnates of alkaline-earth metals finding application in modern radioelectronics. Recommended values of standard thermodynamic values are given: heat capacity Csub(p,298) , enthalpy change H298-H0, entropy S298, heat formation ΔHsub(f,298 ), free energy formation ΔGsub(f,298) , temperatures and heats of phase transitions with indication of errors for the adopted values. The effect of impurities on thermal constants of phase transitions is discussed. The relationships between thermodynamic characteristics of perovskites and crystal structure as well as the effect of orthorhombic distortions of ideal perovskite lattice on entropy of the compounds have been considered. Along with thermodynamic methods of investigation, a great attention is given to other physical methods which have been used for finding temperature regions of phase transitions, Curie points, and temperatures of transition from ferroelectric to paraelectric state. The importance of physical methods is emphasized in those cases when phase transitions are accompanied by small energy changes and are not fixed in measuring heat capacity

  16. CP(N - 1) quantum field theories with alkaline-earth atoms in optical lattices

    Science.gov (United States)

    Laflamme, C.; Evans, W.; Dalmonte, M.; Gerber, U.; Mejía-Díaz, H.; Bietenholz, W.; Wiese, U.-J.; Zoller, P.

    2016-07-01

    We propose a cold atom implementation to attain the continuum limit of (1 + 1) -d CP(N - 1) quantum field theories. These theories share important features with (3 + 1) -d QCD, such as asymptotic freedom and θ-vacua. Moreover, their continuum limit can be accessed via the mechanism of dimensional reduction. In our scheme, the CP(N - 1) degrees of freedom emerge at low energies from a ladder system of SU(N) quantum spins, where the N spin states are embodied by the nuclear Zeeman states of alkaline-earth atoms, trapped in an optical lattice. Based on Monte Carlo results, we establish that the continuum limit can be demonstrated by an atomic quantum simulation by employing the feature of asymptotic freedom. We discuss a protocol for the adiabatic preparation of the ground state of the system, the real-time evolution of a false θ-vacuum state after a quench, and we propose experiments to unravel the phase diagram at non-zero density.

  17. 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.

  18. Collective non-equilibrium spin exchange in cold alkaline-earth atomic clocks

    Science.gov (United States)

    Acevedo, Oscar Leonardo; Rey, Ana Maria

    2016-05-01

    Alkaline-earth atomic (AEA) clocks have recently been shown to be reliable simulators of two-orbital SU(N) quantum magnetism. In this work, we study the non-equilibrium spin exchange dynamics during the clock interrogation of AEAs confined in a deep one-dimensional optical lattice and prepared in two nuclear levels. The two clock states act as an orbital degree of freedom. Every site in the lattice can be thought as populated by a frozen set of vibrational modes collectively interacting via predominantly p-wave collisions. Due to the exchange coupling, orbital state transfer between atoms with different nuclear states is expected to happen. At the mean field level, we observe that in addition to the expected suppression of population transfer in the presence of a large magnetic field, that makes the single particle levels off-resonance, there is also an interaction induced suppression for initial orbital population imbalance. This suppression resembles the macroscopic self-trapping mechanism seen in bosonic systems. However, by performing exact numerical solutions and also by using the so-called Truncated Wigner Approximation, we show that quantum correlations can significantly modify the mean field suppression. Our predictions should be testable in optical clock experiments. Project supported by NSF-PHY-1521080, JILA-NSF-PFC-1125844, ARO, AFOSR, and MURI-AFOSR.

  19. IR and Raman spectroscopic studies of sol–gel derived alkaline-earth silicate glasses

    Indian Academy of Sciences (India)

    Angelos G Kalampounias

    2011-04-01

    IR and Raman spectroscopies have been utilized to study the structure and vibrational modes of sol–gel-derived binary silicate glasses. The present study is motivated by the immense geological significance and focuses on the MO–SiO2 (M = Ca, Mg) binary systems in an effort to unveil the role of the CaO and MgO modifiers when incorporated to the 3D silica structure. Glasses in the composition range = 0, 0.1, 0.2, 0.3 and 0.4 prepared by the sol–gel method were compared with the corresponding glasses formed by appropriate mixing of SiO2 and MO powders through melting and fast cooling. The vibrational spectra of the sol–gel-derived glasses have revealed considerable changes in relative intensities as a function of the MO mole fraction. These changes signify structural modifications on the silica network. The population of the 3 species was found to increase for both modified silicate systems. The rate of increase is more pronounced in the CaO–SiO2 glasses. The extent of network depolymerization in the porous glass is higher at the same content of alkaline earth oxide compared to the bulk glass. The results are indicative of a more `defective’ nature of the sol–gel glasses compared to the corresponding melt-quenched ones.

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

    Science.gov (United States)

    Srinivas, G.; Ramesh, B.; Shareefuddin, Md.; Chary, M. N.; Sayanna, R.

    2016-05-01

    The mixed alkali and alkaline earth oxide borate glass with the composition xK2O - (25-x) Li2O-12.5BaO-12.5MgO-50B2O3 (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(α02-), 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 (α02-), and (Λ) increases with increasing of K2O 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 K2O 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).

  1. Halogen-abstraction reactions from chloromethane and bromomethane molecules by alkaline-earth monocations.

    Science.gov (United States)

    Redondo, Pilar; Largo, Antonio; Rayón, Víctor Manuel; Molpeceres, Germán; Sordo, José Ángel; Barrientos, Carmen

    2014-08-14

    The reactions, in the gas phase, between alkali-earth monocations (Mg(+), Ca(+), Sr(+), Ba(+)) and CH3X (X = Cl, Br) have been theoretically studied. The stationary points on the potential energy surfaces were characterized at the Density Functional Theory level on the framework of the mPW1K functional with the QZVPP Ahlrichs's basis sets. A complementary kinetics study has also been performed using conventional/variational microcanonical transition state theory. In the reactions of Mg(+) with either chloro- or bromomethane the transition structure lies in energy clearly above the reactants rendering thermal activation of CH3Cl or CH3Br extremely improbable. The remaining reactions are exothermic and barrierless processes; thus carbon-halogen bonds in chloro- or bromomethane can be activated by calcium, strontium or barium monocations to obtain the metal halogen cation and the methyl radical. The Mulliken population analysis for the stationary points of the potential energy surfaces supports a "harpoon"-like mechanism for the halogen-atom abstraction processes. An analysis of the bonding situation for the stationary points on the potential energy surface has also been performed in the framework of the quantum theory of atoms in molecules.

  2. Structures and Spectroscopy Studies of Two M(II-Phosphonate Coordination Polymers Based on Alkaline Earth Metals (M = Ba, Mg

    Directory of Open Access Journals (Sweden)

    Kui-Rong Ma

    2013-01-01

    Full Text Available The two examples of alkaline-earth M(II-phosphonate coordination polymers, [Ba2(L(H2O9]·3H2O (1 and [Mg1.5(H2O9]·(L-H21.5·6H2O (2 (H4L = H2O3PCH2N(C4H8NCH2PO3H2, N,N′-piperazinebis(methylenephosphonic acid, (L-H2 = O3PH2CHN(C4H8NHCH2PO3 have been hydrothermally synthesized and characterized by elemental analysis, FT-IR, PXRD, TG-DSC, and single-crystal X-ray diffraction. Compound 1 possesses a 2D inorganic-organic alternate arrangement layer structure built from 1D inorganic chains through the piperazine bridge, in which the ligand L−4 shows two types of coordination modes reported rarely at the same time. In 1, both crystallographic distinct Ba(1 and Ba(2 ions adopt 8-coordination two caps and 9-coordination three caps triangular prism geometry structures, respectively. Compound 2 possesses a zero-dimensional mononuclear structure with two crystallographic distinct Mg(II ions. Free metal cations   [MgO6]n2+ and uncoordinated anions (L-H2n2- are joined together by static electric force. Results of photoluminescent measurement indicate three main emission bands centered at 300 nm, 378.5 nm, and 433 nm for 1 and 302 nm, 378 nm, and 434.5 nm for 2 (λex=235 nm, respectively. The high energy emissions could be derived from the intraligand π∗-n transition stations of H4L (310 nm and 382 nm, λex=235 nm, while the low energy emission (>400 nm of 1-2 may be due to the coordination effect with metal(II ions.

  3. Facilitated alkali ion transfer at the water 1,2-dichloroethane interphase Ab-initio calculations concerning alkaline metal cation - 1,10-phenanthroline complexes

    CERN Document Server

    Sánchez, C; Baruzzi, A M; Leiva, E P M

    1997-01-01

    A series of calculations on the energetics of complexation of alkaline metals with 1,10-phenanthroline are presented. It is an experimental fact that the ordering of the free energy of transfer across the water - 1,2-dichloroethane interphase is governed by the charge / size ratio of the diferent cations; the larger cations showing the lower free energy of transfer. This ordering of the free energies of transfer is reverted in the presence of 1,10-phenanthroline in the organic phase. We have devised a thermodynamic cycle for the transfer process and by means of ab-initio calculations have drawn the conclusion that in the presence of phen the free energy of transfer is governed by the stability of the PHEN/M $^{+}$complex, which explains the observed tendency from a theoretical point of view.

  4. The etching process of boron nitride by alkali and alkaline earth fluorides under high pressure and high temperature

    Energy Technology Data Exchange (ETDEWEB)

    Guo, W., E-mail: guowei1982cry@163.com [College of Physics and Optoelectronics, Taiyuan University of Technology, Taiyuan 030024 (China); National Key Lab of Superhard Materials, Jilin University, Changchun 130012 (China); Ma, H.A.; Jia, X. [National Key Lab of Superhard Materials, Jilin University, Changchun 130012 (China)

    2014-03-01

    Graphical abstract: - Highlights: • Appropriate etch processes of hBN and cBN under HPHT are proposed. • The degree of the crystallization of hBN was decreased. • A special cBN growth mechanism with a triangular unit is proposed. • Plate-shape cBN crystals with large ratio of length to thickness were obtained. • A strategy provides useful guidance for controlling the cBN morphology. - Abstract: Some new etching processes of hexagonal boron nitride (hBN) and cubic boron nitride (cBN) under high pressure and high temperature in the presence of alkali and alkaline earth fluorides have been discussed. It is found that hBN is etched distinctly by alkali and alkaline earth fluorides and the morphology of hBN is significantly changed from plate-shape to spherical-shape. Based on the “graphitization index” values of hBN, the degree of the crystallization of hBN under high pressure and high temperature decreases in the sequence of LiF > CaF{sub 2} > MgF{sub 2}. This facilitates the formation of high-quality cBN single crystals. Different etch steps, pits, and islands are observed on cBN surface, showing the strong etching by alkali and alkaline earth fluorides and the tendency of layer-by-layer growth. A special layer growth mechanism of cBN with a triangular unit has been found. Furthermore, the morphologies of cBN crystals are apparently affected by a preferential surface etching of LiF, CaF{sub 2} and MgF{sub 2}. Respectively, the plate-shape and tetrahedral cBN crystals can be obtained in the presence of different alkali and alkaline earth fluorides.

  5. The etching process of boron nitride by alkali and alkaline earth fluorides under high pressure and high temperature

    International Nuclear Information System (INIS)

    Graphical abstract: - Highlights: • Appropriate etch processes of hBN and cBN under HPHT are proposed. • The degree of the crystallization of hBN was decreased. • A special cBN growth mechanism with a triangular unit is proposed. • Plate-shape cBN crystals with large ratio of length to thickness were obtained. • A strategy provides useful guidance for controlling the cBN morphology. - Abstract: Some new etching processes of hexagonal boron nitride (hBN) and cubic boron nitride (cBN) under high pressure and high temperature in the presence of alkali and alkaline earth fluorides have been discussed. It is found that hBN is etched distinctly by alkali and alkaline earth fluorides and the morphology of hBN is significantly changed from plate-shape to spherical-shape. Based on the “graphitization index” values of hBN, the degree of the crystallization of hBN under high pressure and high temperature decreases in the sequence of LiF > CaF2 > MgF2. This facilitates the formation of high-quality cBN single crystals. Different etch steps, pits, and islands are observed on cBN surface, showing the strong etching by alkali and alkaline earth fluorides and the tendency of layer-by-layer growth. A special layer growth mechanism of cBN with a triangular unit has been found. Furthermore, the morphologies of cBN crystals are apparently affected by a preferential surface etching of LiF, CaF2 and MgF2. Respectively, the plate-shape and tetrahedral cBN crystals can be obtained in the presence of different alkali and alkaline earth fluorides

  6. Investigation on Alkaline-Earth Houses in Jilin Province%吉林碱土民居考察

    Institute of Scientific and Technical Information of China (English)

    王红燕; 朴玉顺

    2012-01-01

    Through extensive research on the residential alkali soil houses in places of the of Yilibao, Sanli bad in the Daan Town,the New Peace Town and Anguang Town, the article clears the distribution and characteristics of the Jilin province alkaline earth houses. Through the residents of the area of alkali land survey- ing and mapping field exploration and focus, the article summarizes the status of the use of alkaline-earth res- idence and makes a detailed analysis of characteristics of alkaline-earth residence. These characteristics are as follows:the alkaline-earth residents living with the ease of local materials, low cost, good thermal insulation properties ,cool, short lifetime, difficult to maintain ,easily damaged and unsightly appearance.%通过对吉林省大安市平安镇一里堡、三里堡、新平安镇、安广镇等地的碱土民居的广泛调研,厘清了吉林省境内碱土民居的分布规律和特点。通过对该地区碱土民居的实地踏勘和重点测绘,总结归纳了碱土民居的使用现状,详细剖析了碱土民居所具有的便于就地取材、造价低廉,保温隔热性能好、冬暖夏凉,使用寿命短、维护困难,易受损、外观不美观等特点。

  7. Microcalorimetric study on host-guest complexation of naphtho-15-crown-5 with four ions of alkaline earth metal*

    OpenAIRE

    Song, Ming-Zhi; Zhu, Lan-ying; Gao, Xi-ke; Dou, Jian-Min; Sun, De-zhi

    2004-01-01

    Thermodynamic parameters of complexation of naphto-15-crown-5 with four alkaline earth ions in aqueous media was determined using titration microcalorimetry at 298.15 K. The stability of the complexes, thermal effect and entropy effect of the complexation is discussed on the basis of the guest ions structure and the solvent effect. The stability constants tendency to vary with ion radius was interpreted. Complex of naphtha-15-crown-5 with calcium ion is very stable due to the synergism of sta...

  8. The significance of secondary interactions during alkaline earth-promoted dehydrogenation of dialkylamine-boranes.

    Science.gov (United States)

    Bellham, Peter; Anker, Mathew D; Hill, Michael S; Kociok-Köhn, Gabriele; Mahon, Mary F

    2016-09-21

    a modified mechanism for group 2-mediated dimethylamine borane dehydrocoupling that is dependent on the intermediacy of key derivatives of the [NMe2·BH3](-) and [NMe2BH2NMe2BH3](-) anions but does not require the formation of high energy alkaline earth hydride intermediates. Although these results are specifically focussed on the applications of alkaline earth species, this mechanistic insight may also be relevant to other redox-inactive main group element-based systems and to our understanding of hydrogen evolution from saline derivatives of ammonia borane. PMID:27529536

  9. Alkaline-Earth-Catalysed Cross-Dehydrocoupling of Amines and Hydrosilanes: Reactivity Trends, Scope and Mechanism.

    Science.gov (United States)

    Bellini, Clément; Dorcet, Vincent; Carpentier, Jean-François; Tobisch, Sven; Sarazin, Yann

    2016-03-18

    Alkaline-earth (Ae=Ca, Sr, Ba) complexes are shown to catalyse the chemoselective cross-dehydrocoupling (CDC) of amines and hydrosilanes. Key trends were delineated in the benchmark couplings of Ph3 SiH with pyrrolidine or tBuNH2 . Ae{E(SiMe3)2}2 ⋅(THF)x (E=N, CH; x=2-3) are more efficient than {N^N}Ae{E(SiMe3)2}⋅(THF)n (E=N, CH; n=1-2) complexes (where {N^N}(-) ={ArN(o-C6H4)C(H)=NAr}(-) with Ar=2,6-iPr2 -C6H3) bearing an iminoanilide ligand, and alkyl precatalysts are better than amido analogues. Turnover frequencies (TOFs) increase in the order Ca30 products) includes diamines and di(hydrosilane)s. Kinetic analysis of the Ba-promoted CDC of pyrrolidine and Ph3SiH shows that 1) the kinetic law is rate=k[Ba](1) [amine](0) [hydrosilane](1), 2) electron-withdrawing p-substituents on the arylhydrosilane improve the reaction rate and 3) a maximal kinetic isotopic effect (kSiH/kSiD =4.7) is seen for Ph3SiX (X=H, D). DFT calculations identified the prevailing mechanism; instead of an inaccessible σ-bond-breaking metathesis pathway, the CDC appears to follow a stepwise reaction path with N-Si bond-forming nucleophilic attack of the catalytically competent Ba pyrrolide onto the incoming silane, followed by rate limiting hydrogen-atom transfer to barium. The participation of a Ba silyl species is prevented energetically. The reactivity trend Cametal centre and decreasing Ae-Namide bond strength upon descending Group 2. PMID:26864122

  10. Alkaline-Earth-Catalysed Cross-Dehydrocoupling of Amines and Hydrosilanes: Reactivity Trends, Scope and Mechanism.

    Science.gov (United States)

    Bellini, Clément; Dorcet, Vincent; Carpentier, Jean-François; Tobisch, Sven; Sarazin, Yann

    2016-03-18

    Alkaline-earth (Ae=Ca, Sr, Ba) complexes are shown to catalyse the chemoselective cross-dehydrocoupling (CDC) of amines and hydrosilanes. Key trends were delineated in the benchmark couplings of Ph3 SiH with pyrrolidine or tBuNH2 . Ae{E(SiMe3)2}2 ⋅(THF)x (E=N, CH; x=2-3) are more efficient than {N^N}Ae{E(SiMe3)2}⋅(THF)n (E=N, CH; n=1-2) complexes (where {N^N}(-) ={ArN(o-C6H4)C(H)=NAr}(-) with Ar=2,6-iPr2 -C6H3) bearing an iminoanilide ligand, and alkyl precatalysts are better than amido analogues. Turnover frequencies (TOFs) increase in the order Ca30 products) includes diamines and di(hydrosilane)s. Kinetic analysis of the Ba-promoted CDC of pyrrolidine and Ph3SiH shows that 1) the kinetic law is rate=k[Ba](1) [amine](0) [hydrosilane](1), 2) electron-withdrawing p-substituents on the arylhydrosilane improve the reaction rate and 3) a maximal kinetic isotopic effect (kSiH/kSiD =4.7) is seen for Ph3SiX (X=H, D). DFT calculations identified the prevailing mechanism; instead of an inaccessible σ-bond-breaking metathesis pathway, the CDC appears to follow a stepwise reaction path with N-Si bond-forming nucleophilic attack of the catalytically competent Ba pyrrolide onto the incoming silane, followed by rate limiting hydrogen-atom transfer to barium. The participation of a Ba silyl species is prevented energetically. The reactivity trend Cametal centre and decreasing Ae-Namide bond strength upon descending Group 2.

  11. Ocean-Based Alkalinity Enhancement: Mitigation Potential, Side Effects and the Fate of Added Alkalinity Assessed in an Earth System Model

    Science.gov (United States)

    Gonzalez, M. F.; Ilyina, T.

    2014-12-01

    Artificial ocean alkalinization (AOA) has been proposed as a mean to mitigate climate change and ocean acidification. Whilst the mitigation potential of this geo-engineering technology may sound promising, it poses environmental risks. Within the Priority Program "Climate Engineering" of the German Science Foundation (DFG), we investigate the mitigation potential of AOA to reduce atmospheric CO2 and counteract the consequences of ocean acidification. We are particularly interested in the residence time of the added alkalinity at the ocean surface because it must stay in the upper ocean in order to increase the oceanic CO2 uptake. The mitigation potential, risks and the unintended consequences of this geo-engineering method are also exhaustively studied. These questions are tackled through the analysis of different alkalinity enhancement scenarios in the state-of-the-art Earth system model of the Max Planck Institute for Meteorology (MPI-ESM) in a configuration based on the fifth phase of the Coupled Model Intercomparison Project (CMIP5). Model scenarios are designed so that AOA is performed to keep the atmospheric CO2 concentrations similar to values of the stabilization scenario RCP4.5, while fossil fuel CO2 emissions follow the pathway of the high-CO2 scenario RCP8.5. Alkalinity is added globally into the upper 12 meters of the ocean in different seasons and years. We found that on the time scale of relevance (i.e. from years to decades), season and location are key aspects to take into account in the implementation of AOA. This is because of inhomogeneous vertical mixing of added alkalinity due to the mixed layer depth which is established by the season. We also show that the rate of addition greatly determines impact and outcome of this geo-engineering method. Changes driven by the implementation of this method in the ocean biogeochemistry are also discussed. For instance, the associated changes in the carbon cycle, marine oxygen levels, saturation state of

  12. Electron emission of alkaline and alkaline-earth vapors adsorbed on refractory metals; Emission electronique des metaux alcalins et alcalino-terreux adsorbes sur les metaux refractaires

    Energy Technology Data Exchange (ETDEWEB)

    Alleau, Th.; Desplat, J.L. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1969-07-01

    This work has been carried out as an aid to research on thermionic converter electrodes. The improvement of the converter efficiency makes it necessary to explain physically the adsorption process, and to determine theoretically its laws. The Gyftopoulos, Levine, Steiner's latest theory has been used to plot, by means of a computer, the 'S' shaped curves which bind the electron emission of adsorbed alkaline and alkaline-earth metals to their temperature and to the substrate temperature. 21 examples are presented, some of them being studied with crystallographic orientation. (authors) [French] Cette etude a ete realisee dans le cadre des recherches effectuees sur les electrodes des convertisseurs thermoioniques. L'explication physique des phenomenes d'adsorption et la connaissance theorique de leurs lois, est indispensable a l'amelioration du rendement des convertisseurs. Il a ete fait appel a la recente theorie de E.P. Gyftopoulos, J.D. Levine, D. Steiner pour tracer par ordinateur les courbes en 'S' qui lient l'emission electronique des metaux alcalins ou alcalino-terreux a leur temperature et a la temperature des metaux refractaires sur lesquels ils sont adsorbes. 21 cas sont etudies, dont certains en fonction de l'orientation cristalline. (auteurs)

  13. Synthesis and crystal structures of novel LaOAgS-type alkaline earth – Zinc, manganese, and cadmium fluoride pnictides

    Energy Technology Data Exchange (ETDEWEB)

    Charkin, Dmitri O., E-mail: charkin@inorg.chem.msu.ru; Urmanov, Arthur V.; Plokhikh, Igor V.; Korshunov, Alexander D.; Kuznetsov, Alexey N.; Kazakov, Sergey M.

    2014-02-05

    Highlights: • Sight new alkaline earth – Mn, Zn, Cd fluoride pnictides were prepared. • All new compounds adopt the LaOAgS structure type. • Bond distances in their structures are transferable within 2–3%. • Very close similarities are observed in structural chemistry of LaOAgS- and HfCuSi{sub 2}-type compounds of Mn, Cu, Zn, Ag, and Cd. -- Abstract: Systematic studies of the LaOAgS-type compounds among alkaline earth – Zn/Cd/Mn fluoride pnictides revealed the existence of new representatives SrFMnP, SrFMnAs, SrFMnSb, SrFZnAs, SrFZnSb, BaFZnAs, BaFCdP, and BaFCdAs. Similar to rare-earth oxide compounds and contrary to isolobal chalcogenides of Cu/Ag, not all possible compositions could be realized. No compound of the structure type is formed for calcium; strontium forms fluoride pnictides only with zinc and manganese, while for barium, new representatives are also formed with cadmium. This trend, which possibly has a geometrical origin, is corroborated by quantum chemical calculations. Formation of NdOZnP-type compounds also was not observed suggesting the structure to be characteristic only for rare earth – zinc oxide phosphides.

  14. The MCVD synthesis and characterization of water tolerant fiber optic waveguides based on alkaline earth-doped silicas

    Science.gov (United States)

    Farley, Kevin F.

    Optical fibers that transmit throughout the entire telecommunications spectrum (1.2--1.7 mum) are presently manufactured by the removal of hydrogen or OH from the host preform glass. Hydrogen-oxygen torches are utilized in the conventional preform manufacturing process, but result in the formation of hydroxyls in germanium-doped silica fiber. The hydroxyl species generate unacceptably high losses for long haul telecommunications systems. This thesis has explored an alternative strategy for reducing OH-related absorption in silica-based glasses. Alkaline earth modifiers have been introduced via the modified chemical vapor deposition (MCVD) process to successfully damp out and dramatically reduce the extrinsic attenuation associated with both water and hydrogen. Specifically, alkaline earth ions were introduced into alumino-silicate glasses to form MgO-Al2O3-SiO2, CaO-Al 2O3-SiO2, and SrO-Al2O3-SiO 2 compositions. The utilization of halide precursors based on the vapor delivery of rare earths was incorporated into the existing MCVD set-up to fabricate these optical preforms. Both the bulk preforms and fibers drawn from them were characterized to determine relevant optical properties, including the attenuation, index profiles and extinction coefficients arising from OH in each host. The data indicate that modification of the silica glass structure through the additions of modifying ions can significantly reduce OH related absorption. For example, the doping of alkaline earth ions decreased the extinction coefficient measured at the 1.39 mum) OH overtone, to values reinforced by a series of experiments documenting their resistance to hydrogen induced losses.

  15. Monte Carlo simulations of electron thermalization in alkali iodide and alkaline-earth fluoride scintillators

    Energy Technology Data Exchange (ETDEWEB)

    Wang Zhiguo; Gao Fei; Kerisit, Sebastien [Fundamental and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352 (United States); Xie Yulong [Energy and Environment Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352 (United States); Campbell, Luke W. [National Security Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352 (United States)

    2012-07-01

    A Monte Carlo model of electron thermalization in inorganic scintillators, which was developed and applied to CsI in a previous publication [Wang et al., J. Appl. Phys. 110, 064903 (2011)], is extended to another material of the alkali halide class, NaI, and to two materials from the alkaline-earth halide class, CaF{sub 2} and BaF{sub 2}. This model includes electron scattering with both longitudinal optical (LO) and acoustic phonons as well as the effects of internal electric fields. For the four pure materials, a significant fraction of the electrons recombine with self-trapped holes and the thermalization distance distributions of the electrons that do not recombine peak between approximately 25 and 50 nm and extend up to a few hundreds of nanometers. The thermalization time distributions of CaF{sub 2}, BaF{sub 2}, NaI, and CsI extend to approximately 0.5, 1, 2, and 7 ps, respectively. The simulations show that the LO phonon energy is a key factor that affects the electron thermalization process. Indeed, the higher the LO phonon energy is, the shorter the thermalization time and distance are. The thermalization time and distance distributions show no dependence on the incident {gamma}-ray energy. The four materials also show different extents of electron-hole pair recombination due mostly to differences in their electron mean free paths (MFPs), LO phonon energies, initial densities of electron-hole pairs, and static dielectric constants. The effect of thallium doping is also investigated for CsI and NaI as these materials are often doped with activators. Comparison between CsI and NaI shows that both the larger size of Cs{sup +} relative to Na{sup +}, i.e., the greater atomic density of NaI, and the longer electron mean free path in NaI compared to CsI contribute to an increased probability for electron trapping at Tl sites in NaI versus CsI.

  16. Monte Carlo simulations of electron thermalization in alkali iodide and alkaline-earth fluoride scintillators

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Zhiguo; Xie, YuLong; Campbell, Luke W.; Gao, Fei; Kerisit, Sebastien N.

    2012-07-01

    A Monte Carlo model of electron thermalization in inorganic scintillators, which was developed and applied to CsI in a previous publication [Wang et al., J. Appl. Phys. 110, 064903 (2011)], is extended to another material of the alkali halide class, NaI, and to two materials from the alkaline-earth halide class, CaF2 and BaF2. This model includes electron scattering with both longitudinal optical (LO) and acoustic phonons as well as the effects of internal electric fields. For the four pure materials, a significant fraction of the electrons recombine with self-trapped holes and the thermalization distance distributions of the electrons that do not recombine peak between approximately 25 and 50 {per_thousand}nm and extend up to a few hundreds of nanometers. The thermalization time distributions of CaF2, BaF2, NaI, and CsI extend to approximately 0.5, 1, 2, and 7 ps, respectively. The simulations show that the LO phonon energy is a key factor that affects the electron thermalization process. Indeed, the higher the LO phonon energy is, the shorter the thermalization time and distance are. The thermalization time and distance distributions show no dependence on the incident {gamma}-ray energy. The four materials also show different extents of electron-hole pair recombination due mostly to differences in their electron mean free paths (MFPs), LO phonon energies, initial densities of electron-hole pairs, and static dielectric constants. The effect of thallium doping is also investigated for CsI and NaI as these materials are often doped with activators. Comparison between CsI and NaI shows that both the larger size of Cs+ relative to Na+, i.e., the greater atomic density of NaI, and the longer electron mean free path in NaI compared to CsI contribute to an increased probability for electron trapping at Tl sites in NaI versus CsI.

  17. Influence of doping with alkaline earth metals on the optical properties of thermochromic VO2

    Science.gov (United States)

    Dietrich, Marc K.; Kramm, Benedikt G.; Becker, Martin; Meyer, Bruno K.; Polity, Angelika; Klar, Peter J.

    2015-05-01

    Thin films of doped VO2 were deposited, analyzed, and optimized with regard to their solar energy transmittance (Tsol) and visible/luminous light transmittance (Tlum) which are important parameters in the context of smart window applications in buildings. The doping with alkaline earth metals (AEM) like Mg, Ca, Sr, or Ba increased both Tsol and Tlum due to a bandgap widening and an associated absorption edge blue-shift. Thereby, the brown-yellowish color impression of pure VO2 thin films, which is one major hindrance limiting the usage of VO2 as thermochromic window coating, was overcome. Transparent thin films with excellent switching behavior were prepared by sputtering. Highly doped V1-xMexO2 (Me = Ca, Sr, Ba) kept its excellent thermochromic switching behavior up to x(Me) = Me/(Me + V) = 10 at. % doping level, while the optical bandgap energy was increased from 1.64 eV for undoped VO2 to 2.38 eV for x(Mg) = 7.7 at. %, 1.85 eV for x(Ca) = 7.4 at. %, 1.84 eV for x(Sr) = 6.4 at. % and 1.70 eV for x(Ba) = 6.8 at. %, as well as the absorption edge is blue shifted by increasing AEM contents. Also, the critical temperature ϑc, at which the semiconductor-to-metal transition (SMT) occurs, was decreased by AEM doping, which amounted to about -0.5 K/at. % for all AEM on average. The critical temperature was determined by transmittance-temperature hysteresis measurements. Furthermore, Tsol and Tlum were calculated and were found to be significantly enhanced by AEM doping. Tlum increased from 32.0% in undoped VO2 to 43.4% in VO2 doped with 6.4 at. % Sr. Similar improvements were found for other AEM. The modulation of the solar energy transmittance ΔTsol, which is the difference of the Tsol values in the low and high temperature phase, was almost constant or even slightly increased when the doping level was increased up to about 10 at. % Ca, Sr, or Ba.

  18. Eocene seasonality and seawater alkaline earth reconstruction using shallow-dwelling large benthic foraminifera

    Science.gov (United States)

    Evans, David; Müller, Wolfgang; Oron, Shai; Renema, Willem

    2013-11-01

    Intra-test variability in Mg/Ca and other (trace) elements within large benthic foraminifera (LBF) of the family Nummulitidae have been investigated using laser-ablation inductively-coupled plasma mass spectrometry (LA-ICPMS). These foraminifera have a longevity and size facilitating seasonal proxy retrieval and a depth distribution similar to 'surface-dwelling' planktic foraminifera. Coupled with their abundance in climatically important periods such as the Paleogene, this means that this family of foraminifera are an important but under-utilised source of palaeoclimatic information. We have calibrated the relationship between Mg/Ca and temperature in modern Operculina ammonoides and observe a ˜2% increase in Mg/Ca °C-1. O. ammonoides is the nearest living relative of the abundant Eocene genus Nummulites, enabling us to reconstruct mid-Eocene tropical sea surface temperature seasonality by applying our calibration to fossil Nummulites djokdjokartae from Java. Our results indicate a 5-6 °C annual temperature range, implying greater than modern seasonality in the mid-Eocene (Bartonian). This is consistent with seasonal surface ocean cooling facilitated by enhanced Eocene tropical cyclone-induced upper ocean mixing, as suggested by recent modelling results. Analyses of fossil N. djokdjokartae and Operculina sp. from the same stratigraphic interval demonstrate that environmental controls on proxy distribution coefficients are the same for these two genera, within error. Using previously published test-seawater alkaline earth metal distribution coefficients derived from an LBF of the same family (Raitzsch et al., 2010) and inorganic calcite, with appropriate correction systematics for secular Mg/Casw variation (Evans and Müller, 2012), we use our fossil data to produce a more accurate foraminifera-based Mg/Casw reconstruction and an estimate of seawater Sr/Ca. We demonstrate that mid-Eocene Mg/Casw was ≲2 molmol, which is in contrast to the model most

  19. Study of the alkaline cations complexation by photo-isomerizable calixarenes; Etude de la complexation de cations alcalins par des calixarenes photoisomerisables

    Energy Technology Data Exchange (ETDEWEB)

    Reynier, N.

    1996-04-25

    The first step to reduce the volume and the toxicity of radioactive waste coming from the spent fuel reprocessing is to separate long life radioisotopes from others ones with a shorter period. The aim of this study is to show that the control of the two phenomenons, complexation of the cation by the calixarenes and its de-complexation, can be envisaged by the introduction on the molecule of a chromophore group, azo benzene, able to modify the complexing site structure of the calixarenes with an isomerization trans-cis induced by ultraviolet radiation, and isomerization cis-trans thermally induced by a visible radiation. (N.C.). 112 refs., 78 figs., 23 tabs.

  20. Mechanochemical synthesis, structure, and properties of solid solutions of alkaline earth metal fluorides: Ma1-xMbxF2 (M: Ca, Sr, Ba)

    Science.gov (United States)

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

    2016-10-01

    The capability of mechanochemical synthesis for the formation of solid solutions of alkaline earth metal fluorides Ma1-xMbxF2 (M: Ca, Sr, Ba) was tested by fluorination of metal acetates and metal hydroxides with ammonium fluoride directly at milling. Evidence was found for a mutual substitution of cations on their lattice positions in Ca1-xSrxF2 and Ba1-xSrxF2 samples. For the Ba/Ca-system this synthesis route is only partially successful. X-ray diffraction and 19F MAS NMR spectroscopy were used to characterize all samples concerning their crystal structure and local fluorine coordination. Calculations of 19F chemical shifts with the superposition model along with probability calculations for the intensity of the individual 19F lines, performed in dependence on the molar composition of the samples, perfectly agree with the experimental findings. The fluoride ion conductivity of as-prepared samples, determined by temperature dependent DC conductivity measurements, is significantly higher than those of crystalline binary fluorides. Moreover, a higher F- ion conductivity is observed for samples with higher mixing grade in the Ca/Sr-and the Ba/Sr-systems.

  1. Optical Feshbach resonances of Alkaline-Earth atoms in a 1D or 2D optical lattice

    OpenAIRE

    Naidon, Pascal; Julienne, Paul S.

    2006-01-01

    Motivated by a recent experiment by Zelevinsky et al. [Phys. Rev. Lett. 96, 203201], we present the theory for photoassociation and optical Feshbach resonances of atoms confined in a tight one-dimensional (1D) or two-dimensional (2D) optical lattice. In the case of an alkaline-earth intercombination resonance, the narrow natural width of the line makes it possible to observe clear manifestations of the dimensionality, as well as some sensitivity to the scattering length of the atoms. Among po...

  2. Microcalorimetric study on host-guest complexation of naphtho-15-crown-5 with four ions of alkaline earth metal

    Institute of Scientific and Technical Information of China (English)

    SONG Ming-zhi; ZHU Lan-ying; GAO Xi-ke; DOU Jian-min; SUN De-zhi

    2005-01-01

    Thermodynamic parameters of complexation of naphto- 15-crown-5 with four alkaline earth ions in aqueous media was determined using titration microcalorimetry at 298.15 K. The stability of the complexes, thermal effect and entropy effect of the complexation is discussed on the basis of the guest ions structure and the solvent effect. The stability constants tendency to vary with ion radius was interpreted. Complex of naphtha-15-crown-5 with calcium ion is very stable due to the synergism of static electric interaction and size selectivity between the host and the guest.

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

    International Nuclear Information System (INIS)

    Two new alkaline earth copper(II) germanates were hydrothermally synthesized: CaCuGeO4·H2O (1) and BaCu2Ge3O9·H2O (2), and their structures determined by single crystal X-ray diffraction. Compound (1) crystallizes in space group P21/c with a=5.1320(2) Å, b=16.1637(5) Å, c=5.4818(2) Å, β=102.609(2)°, V=443.76(3) Å3 and Z=4. This copper germanate contains layers of composition [CuGeO4]∞2− comprising CuO4 square planes and GeO4 tetrahedra with calcium and water molecules in the inter-layer space. Compound (2) crystallizes in the Cmcm space group with a=5.5593(3) Å, b=10.8606(9) Å, c=13.5409(8) Å, V=817.56(9) Å3 and Z=4. This structure contains GeO6 and CuO6 octahedra as well as GeO4 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 χT 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 CaCuGeO4·H2O and BaCu2Ge3O9·H2O, two novel copper germanates synthesized hydrothermally, showing antiferromagnetic and ferromagnetic intra-chain interactions respectively. Highlights: ► The structure of two new chain containing copper germinates is reported. ► The calcium compound CaCuGeO4·H2O contains

  4. Amino-functionalized alkaline clay with cationic star-shaped polymer as adsorbents for removal of Cr(VI) in aqueous solution

    Science.gov (United States)

    Pan, Yuanfeng; Cai, Pingxiong; Farmahini-Farahani, Madjid; Li, Yiduo; Hou, Xiaobang; Xiao, Huining

    2016-11-01

    Pentaerythritol (PER) was esterified with 2-bromoisobutyryl bromide to synthesize a four-arm initiator 4Br-PER for atom transfer radical polymerization (ATRP). Star-shaped copolymers (P(AM-co-DMAEMA)4, CSP) were prepared via ATRP using dimethyl aminoethyl methacrylate (DMAEMA) and acrylamide (AM) as comonomers, while Br-PER and CuBr/2,2‧-bipyridine (BPY) as the initiator and the catalyst, respectively. The resulting four-arm initiator and star-shaped polymer (CSP) were characterized with FT-IR, 1H NMR and Ubbelohde viscometry. Alkaline clay (AC) was immobilized with CSPs to yield amino groups, and the cationic star polymer-immobilized alkaline clay (CSP-AC) was applied to remove Cr(VI) from the aqueous solution in batch experiments. Various influencing factors, including pH, contact time and immobilization amount of CSP on adsorption capacity of CSP-AC for Cr(VI) were also investigated. The results demonstrated that Cr(VI) adsorption was highly pH dependent. The optimized pH value was 4.0. The adsorption isotherms of the adsorbent fit the Langmuir model well, with the maximum adsorption capacity of 137.9 mg/g at 30 °C. The material should be a promising adsorbent for Cr(VI) removal, with the advantages of high adsorption capacity.

  5. Three interesting coordination compounds based on metalloligand and alkaline-earth ions: Syntheses, structures, thermal behaviors and magnetic property

    Science.gov (United States)

    Zhou, Qiang; Qian, Jun; Zhang, Chi

    2016-09-01

    Based on metalloligand LCu ([Cu(2,4-pydca)2]2-, 2,4-pydca2- = pyridine-2,4-dicarboxylate) and alkaline-earth ions (Ca2+, Sr2+, and Ba2+), three interesting coordination compounds, [Ca(H2O)7][LCu·H2O]·H2O (1), {Sr[LCu·H2O]·4H2O}n (2), and {Ba[LCu·H2O]·8H2O}n (3), have been synthesized and well-characterized by elemental analysis, infrared spectroscopy, thermogravimetric and single-crystal X-ray diffraction analysis. X-ray crystallographic studies reveal that 1 features a discrete 0D coordination compound, while 2 and 3 exhibit the 2D network and 1D chain structures, respectively. Compound 2 is constructed from {LCu}2 dimers connected with {Sr2} units, which is fabricated by two Sr2+ ions bridged via two μ2-O bridges, while compound 3 is formed by 1D {Ba}n chain linked with metalloligands LCu and exhibits an interesting sandwich like chain structure. It is noted that the coordination numbers of alkaline-earth ions are in positive correlation with their radiuses. Moreover, the magnetic property of compound 2 has been studied.

  6. Influence of beryllium cations on the electrochemical oxidation of methanol on stepped platinum surfaces in alkaline solution

    Science.gov (United States)

    García, Gonzalo; Stoffelsma, Chantal; Rodriguez, Paramaconi; Koper, Marc T. M.

    2015-01-01

    The role of beryllium on the oxidation of methanol on Pt stepped surfaces (Pt[(n-1) (111)x(110)]) orientation-Pt(553) with n = 5, Pt(554) n = 10, Pt(151514) n = 30), Pt(111) and Pt(110) single crystals in alkaline media was studied by cyclic voltammetry and Fourier transform infrared spectroscopy (FTIRS). The results suggest that under the conditions of the experiment, the methanol oxidation reaction follows a direct pathway with formaldehyde and formate as reaction intermediates. The combination of OHads and beryllium blocks the adsorption and oxidation of methanol on Pt(111), but appears to promote the complete oxidation of methanol to carbon dioxide/carbonate on Pt(110).

  7. 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)

    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)

  8. Dispersion coefficients for the interaction of inert gas atoms with alkali and alkaline earth ions and alkali atoms with their singly ionized ions

    CERN Document Server

    Singh, Sukhjit; Sahoo, B K; Arora, Bindiya

    2016-01-01

    We report the dispersion coefficients for the interacting inert gas atoms with the alkali ions, alkaline earth ions and alkali atoms with their singly charged ions. We use our relativistic coupled-cluster method to determine dynamic dipole and quadrupole polarizabilities of the alkali atoms and singly ionized alkaline earth atoms, whereas a relativistic random phase approximation approach has been adopted to evaluate these quantities for the closed-shell configured inert gas atoms and the singly and doubly ionized alkali and alkaline earth atoms, respectively. Accuracies of these results are adjudged from the comparison of their static polarizability values with their respective experimental results. These polarizabilities are further compared with the other theoretical results. Reason for the improvement in the accuracies of our estimated dispersion coefficients than the data listed in [At. Data and Nucl. Data Tables 101, 58 (2015)] are discussed. Results for some of the atom-ion interacting systems were not...

  9. Modifying the size and uniformity of upconversion Yb/Er:NaGdF4 nanocrystals through alkaline-earth doping.

    Science.gov (United States)

    Lei, Lei; Chen, Daqin; Huang, Ping; Xu, Ju; Zhang, Rui; Wang, Yuansheng

    2013-11-21

    NaGdF4 is regarded as an ideal upconversion (UC) host material for lanthanide (Ln(3+)) activators because of its unique crystal structure, high Ln(3+) solubility, low phonon energy and high photochemical stability, and Ln(3+)-doped NaGdF4 UC nanocrystals (NCs) have been widely investigated as bio-imaging and magnetic resonance imaging agents recently. To realize their practical applications, controlling the size and uniformity of the monodisperse Ln(3+)-doped NaGdF4 UC NCs is highly desired. Unlike the routine routes by finely adjusting the multiple experimental parameters, herein we provide a facile and straightforward strategy to modify the size and uniformity of NaGdF4 NCs via alkaline-earth doping for the first time. With the increase of alkaline-earth doping content, the size of NaGdF4 NCs increases gradually, while the size-uniformity is still retained. We attribute this "focusing" of size distribution to the diffusion controlled growth of NaGdF4 NCs induced by alkaline-earth doping. Importantly, adopting the Ca(2+)-doped Yb/Er:NaGdF4 NCs as cores, the complete Ca/Yb/Er:NaGdF4@NaYF4 core-shell particles with excellent size-uniformity can be easily achieved. However, when taking the Yb/Er:NaGdF4 NCs without Ca(2+) doping as cores, they could not be perfectly covered by NaYF4 shells, and the obtained products are non-uniform in size. As a result, the UC emission intensity of the complete core-shell NCs increases by about 30 times in comparison with that of the cores, owing to the effective surface passivation of the Ca(2+)-doped cores and therefore protection of Er(3+) in the cores from the non-radiative decay caused by surface defects, whereas the UC intensity of the incomplete core-shell NCs is enhanced by only 3 times. PMID:24096887

  10. An Unprecedented 1D Zigzag Chain Alkaline Earth Metal Derivative {[Ba(DMF)3(H2O)2][Ba(DMF)4]2(P2W18O62)}n Containing Dawson Heteropolyanion

    Institute of Scientific and Technical Information of China (English)

    Jing Ping WANG; Jian Ru MA; Jing Yang NIU

    2006-01-01

    An unprecedented 1D zigzag chain alkaline earth metal derivative, {[Ba(DMF)3(H2O)2][Ba(DMF)4]2(P2W18O62)}n, (DMF=N, N-dimethyl formamide) containing Dawson heteropolyanion has been successfully synthesized and characterized by X-ray crystallography. Two barium cations bridged by three DMF ligands in parallel combination with the Dawson-type heteropolyanion [P2W18O62]6- and then the resulting subunits {[Ba(DMF)4]2(P2W18O62)}2+ are alternately linked together via another [Ba(DMF)3(H2O)2]2+ ions, constructing a 1D zigzag chain architecture.

  11. 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.

  12. Two-band superfluidity and intrinsic Josephson effect in alkaline-earth-metal Fermi gases across an orbital Feshbach resonance

    Science.gov (United States)

    Iskin, M.

    2016-07-01

    We first show that the many-body Hamiltonian governing the physical properties of an alkaline-earth 173Yb Fermi gas across the recently realized orbital Feshbach resonance is exactly analogous to that of two-band s -wave superconductors with contact interactions; i.e., even though the free-particle bands have a tunable energy offset in between and are coupled by a Josephson-type attractive interband pair scattering, the intraband interactions have exactly the same strength. We then introduce two intraband order parameters within the BCS mean-field approximation and investigate the competition between their in-phase and out-of-phase (i.e., the so-called π -phase) solutions in the entire BCS-BEC evolution at zero temperature.

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

    International Nuclear Information System (INIS)

    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)

  14. Optical Feshbach resonances of Alkaline-Earth atoms in a 1D or 2D optical lattice

    CERN Document Server

    Naidon, P; Julienne, Paul S.; Naidon, Pascal

    2006-01-01

    Motivated by a recent experiment by Zelevinsky et al. [Phys. Rev. Lett. 96, 203201], we present the theory for photoassociation and optical Feshbach resonances of atoms confined in a tight one-dimensional (1D) or two-dimensional (2D) optical lattice. In the case of an alkaline-earth intercombination resonance, the narrow natural width of the line makes it possible to observe clear manifestations of the dimensionality, as well as some sensitivity to the scattering length of the atoms. Among possible applications, a 2D lattice may be used to increase the spectroscopic resolution by about one order of magnitude. Furthermore, a 1D lattice induces a shift which provides a new way of determining the strength of a resonance by spectroscopic measurements.

  15. Electric dipole polarizabilities of doubly ionized alkaline Earth metal ions from perturbed relativistic coupled-cluster theory

    CERN Document Server

    Chattopadhyay, S; Angom, D

    2013-01-01

    Using perturbed relativistic coupled-cluster (PRCC) theory we compute the ground state electric dipole polarizability, $\\alpha$, of doubly ionized alkaline earth metal ions $\\rm{Mg}^{2+}$, $\\rm{Ca}^{2+}$, $\\rm{Sr}^{2+}$, $\\rm{Ba}^{2+}$ and $\\rm{Ra}^{2+}$. In the present work we use the Dirac-Coulomb-Breit atomic Hamiltonian and we also include the Uehling potential, which is the leading order term in the vacuum polarization corrections. We examine the correction to the orbital energies arising from the Uehling potential in the self-consistent field calculations as well as perturbatively. Our results of $\\alpha$ are in very good agreement with the experimental data, and we observe a change in the nature of the orbital energy corrections arising from the vacuum polarization as we go from $\\rm{Mg}^{2+}$ to Ra$^{2+}$.

  16. Main group chemistry of 9-hydroxophenalenone: Syntheses and structural characterization of the alkaline earth and zinc complexes

    Indian Academy of Sciences (India)

    Arup Mukherjee; Prinson P Samuel; Carola Schulzke; Swadhin K Mandal

    2014-09-01

    Herein, we report the synthesis and characterization of 9-hydroxophenalenone based alkaline earth and zinc complexes.The reaction of 9-hydroxophenalenone (HO,O-PLY (1)) with one equivalent of KN(SiMe3)2 and MI2 in THF yields heteroleptic complexes [(O,O-PLY)M(THF)]I [M= Mg (2), Ca (3), Sr (4), Ba (5); n = 1-4], while use of two equivalents of KN(SiMe3)2 in THF (with respect to PLY) produces homoleptic complex (O,O-PLY)2Mg(THF)2 (6). Moreover, reaction between two equivalents of 1 with one equivalent of ZnMe2 in THF produces complex (O,O-PLY)2Zn(THF)2 (7). All these complexes were characterized by NMR spectroscopy and elemental analyses. The solid state structures of complexes 2, 6 and 7 were established by single crystal X-ray diffraction analysis.

  17. Frontier Orbital Engineering of Metal-Organic Frameworks with Extended Inorganic Connectivity: Porous Alkaline-Earth Oxides.

    Science.gov (United States)

    Hendon, Christopher H; Walsh, Aron; Dincă, Mircea

    2016-08-01

    The development of conductive metal-organic frameworks is challenging owing to poor electronic communication between metal clusters and the organic ligands that bridge them. One route to overcoming this bottleneck is to extend the inorganic dimensionality, while using the organic components to provide chemical functionality. Using density functional theory methods, we demonstrate how the properties of the alkaline-earth oxides SrO and BaO are transformed upon formation of porous solids with organic oxygen sources (acetate and trifluoroacetate). The electron affinity is significantly enhanced in the hybrid materials, while the ionization potential can be tuned over a large range with the polarity of the organic moiety. Furthermore, because of their high-vacuum fraction, these materials have dielectric properties suitable for low-κ applications. PMID:27267149

  18. Characterization of alkaline-earth oxide additions to the MnO2 cathode in an aqueous secondary battery

    International Nuclear Information System (INIS)

    Highlights: → Adding MgO in MnO2 cathode enhances the battery discharge capacity. → Mechanism appears to be different with those of our previously published results. → Capacity fade with subsequent cycling is reduced only for MgO but not for BaO. → Transferred the primary battery into a secondary while using LiOH as electrolyte. - Abstract: The effect of alkaline-earth oxide additions on aqueous rechargeable battery is investigated using microscopic and spectroscopic techniques. The alkaline-earth oxide additions such as magnesium oxide (MgO) and barium oxide (BaO) were physically mixed to the manganese dioxide (MnO2) cathode of a cell comprising zinc as an anode and aqueous lithium hydroxide as the electrolyte. The results showed that such additions greatly improved the discharge capacity of the battery (from 145 to 195 for MgO and 265 mAh/g for BaO). Capacity fade with subsequent cycling is reduced only for MgO but not for BaO. With an aim to understand the role of these additives and its improvement in cell performance, we have used microscopy, spectroscopy, ion beam analysis and diffraction based techniques to study the process. Transmission electron microscopy (TEM), and energy dispersive X-ray spectroscopy analysis (EDS) results showed evidence of crystalline MnO2 particles for MgO as additive, whereas, MnO2 particles with diffused structure leading to mixture of phases is observed for BaO additives which is in agreement with X-ray diffraction (XRD) data. This work relates to improvement in the electrochemical behaviour of the Zn-MnO2 battery while the MgO additive helps to reduce the formation of manganese and zinc such as hetaerolite that hinders the lithium intercalation.

  19. Characterization of alkaline-earth oxide additions to the MnO{sub 2} cathode in an aqueous secondary battery

    Energy Technology Data Exchange (ETDEWEB)

    Minakshi, Manickam, E-mail: minakshi@murdoch.edu.au [Extractive Metallurgy, Murdoch University, Murdoch, WA 6150 (Australia); Blackford, Mark [Institute of Materials Engineering, ANSTO, Lucas Heights, NSW 2234 (Australia); Ionescu, Mihail [Institute for Environment Research, ANSTO, Lucas Heights, NSW 2234 (Australia)

    2011-05-19

    Highlights: > Adding MgO in MnO{sub 2} cathode enhances the battery discharge capacity. > Mechanism appears to be different with those of our previously published results. > Capacity fade with subsequent cycling is reduced only for MgO but not for BaO. > Transferred the primary battery into a secondary while using LiOH as electrolyte. - Abstract: The effect of alkaline-earth oxide additions on aqueous rechargeable battery is investigated using microscopic and spectroscopic techniques. The alkaline-earth oxide additions such as magnesium oxide (MgO) and barium oxide (BaO) were physically mixed to the manganese dioxide (MnO{sub 2}) cathode of a cell comprising zinc as an anode and aqueous lithium hydroxide as the electrolyte. The results showed that such additions greatly improved the discharge capacity of the battery (from 145 to 195 for MgO and 265 mAh/g for BaO). Capacity fade with subsequent cycling is reduced only for MgO but not for BaO. With an aim to understand the role of these additives and its improvement in cell performance, we have used microscopy, spectroscopy, ion beam analysis and diffraction based techniques to study the process. Transmission electron microscopy (TEM), and energy dispersive X-ray spectroscopy analysis (EDS) results showed evidence of crystalline MnO{sub 2} particles for MgO as additive, whereas, MnO{sub 2} particles with diffused structure leading to mixture of phases is observed for BaO additives which is in agreement with X-ray diffraction (XRD) data. This work relates to improvement in the electrochemical behaviour of the Zn-MnO{sub 2} battery while the MgO additive helps to reduce the formation of manganese and zinc such as hetaerolite that hinders the lithium intercalation.

  20. Synthesis, crystal and band structures, and optical properties of a new lanthanide-alkaline earth tellurium(IV) oxide: La2Ba(Te3O8)(TeO3)2

    International Nuclear Information System (INIS)

    A new quaternary lanthanide alkaline-earth tellurium(IV) oxide, La2Ba(Te3O8)(TeO3)2, has been prepared by the solid-state reaction and structurally characterized. The compound crystallizes in monoclinic space group C2/c with a=19.119(3), b=5.9923(5), c=13.2970(19) A, β=107.646(8)o, V=1451.7(3) A3 and Z=4. La2Ba(Te3O8)(TeO3)2 features a 3D network structure in which the cationic [La2Ba(TeO3)2]4+ layers are cross-linked by Te3O84- anions. Both band structure calculation by the DFT method and optical diffuse reflectance spectrum measurements indicate that La2Ba(Te3O8)(TeO3)2 is a wide band-gap semiconductor. - Graphical abstract: A new quaternary lanthanide alkaline-earth tellurium(IV) oxide, La2Ba(Te3O8)(TeO3)2, has been prepared by the solid-state reaction and structurally characterized. The structure of La2Ba(Te3O8)(TeO3)2 is 3D network in which the cationic [La2Ba(TeO3)2]4+ layers are cross-linked by Te3O84- anions. Both band structure calculation by the DFT method and optical diffuse reflectance spectrum measurements indicate that La2Ba(Te3O8)(TeO3)2 is a wide band-gap semiconductor

  1. Effects of alternating current imposition and alkaline earth elements on modification of primary Mg_2Si crystals in hypereutectic Mg-Si alloy

    Institute of Scientific and Technical Information of China (English)

    DU Jun; K. IWAI; LI Wen-fang; PENG Ji-hua

    2009-01-01

    The effects of alternating current imposition and/or alkaline earth elements on modification of the primary Mg_2Si crystals in the hypereutectic Mg-Si alloy were investigated. An alternating current of 60 A with frequency of 1 kHz was applied into the hypereutectic Mg-Si melt which was alloyed with alkaline earth elements or not in the fixed temperature range from 700 to 630 ℃. The results show that the primary Mg_2Si crystals could be refined by imposing alternating current or adding alkaline elements. Compared with the samples treated by adding 0.4% Ca or 0.4% Sr, higher modification efficiency could be obtained for the samples treated by imposing alternating current. No further modification efficiency could be obtained for the samples treated by imposing alternating current combined with 0.4% Ca or 0.4% Sr addition.

  2. Design of a novel optically stimulated luminescent dosimeter using alkaline earth sulfides doped with SrS:Eu,Sm materials

    Institute of Scientific and Technical Information of China (English)

    Yanping Liu; Zhaoyang Chen; Yanwei Fan; Weizhen Ba; Wu Lu; Qi Guo; Shilie Pan; Aimin Chang; Xinqiang Tang

    2008-01-01

    Optically stimulated luminescence (OSL) is the luminescence emitted from an irradiated insulator or semiconductor during exposure to light.The OSL intensity is a function of the dose of radiation absorbed by the sample and thus can be used as the basis of a radiation dosimetry method.Alkaline earth sulfides doped with rare-earth elements such as Ce,Sm and Eu are OSL dosimeters having very high sensitivity,and the OSL with a short time constant is separated from the stimulated light.In this paper,a novel OSL dosimeter designed with SrS:Eu,Sm materials is described.The dosimeter takes advantage of the characteristics of charge trapping materials SrS:Eu,Sm that exhibit OSL.The measuring range of the dosimeter is from 0.01 to 100Gy.The equipment,which is relatively simple and small in size,is promising for applications in space exploration and high dose radiation dosimetry.

  3. Solvent Extraction of Alkaline Earth Metals with Alkylphosphorus Acids%有机磷(膦)酸对碱土金属的萃取

    Institute of Scientific and Technical Information of China (English)

    许新; 朱屯

    2002-01-01

    Solvent extraction equilibria of four main alkaline earth metals (magnesium, calcium, strontium and barium) with di(2-ethylhexyl) phosphoric acid (DEHPA), 2-ethylhexyl phosphonic acid mono-(2-ethylhexyl) ester,di(2,4,4-tri-methylpentyl) phosphinic acid and IR spectra of the extracts have been studied. The selectivity order is dependent on the e/r value and hydration energy of the metal ions. The minor shift of the P-O in IR absorption of the alkaline earth metal extracts indicates that the interaction between the metal ions and P-O is much weaker for alkaline earth metals than for transitional metals. The distribution of the four alkaline earth elements between aqueous solutions and solutions of DEHPA and neutral organophosphorus compounds, tri-n-butyl phosphate (TBP) or tri-octyl phosphine oxide (TOPO) in kerosene have been determined at varying ratio of TBP or TOPO to DEHPA and the positive synergism is observed. The synergic effect is explained by using IR spectra of the loaded organic phase.

  4. Synthesis of a new family of ionophores based on aluminum-dipyrrin complexes (ALDIPYs) and their strong recognition of alkaline earth ions.

    Science.gov (United States)

    Saikawa, Makoto; Daicho, Manami; Nakamura, Takashi; Uchida, Junji; Yamamura, Masaki; Nabeshima, Tatsuya

    2016-03-14

    Mononuclear and dinuclear aluminum-dipyrrin complexes (ALDIPYs) were synthesized as a new family of ionophores. They exhibited colorimetric and fluorometric responses to alkaline earth ions in an aqueous mixed solvent. The strong recognition was achieved via multipoint interactions with the oxygen atoms appropriately incorporated into the ligand framework. PMID:26935409

  5. Cationic methyl complexes of the rare-earth metals: an experimental and computational study on synthesis, structure, and reactivity.

    Science.gov (United States)

    Kramer, Mathias U; Robert, Dominique; Arndt, Stefan; Zeimentz, Peter M; Spaniol, Thomas P; Yahia, Ahmed; Maron, Laurent; Eisenstein, Odile; Okuda, Jun

    2008-10-20

    Synthesis, structure, and reactivity of two families of rare-earth metal complexes containing discrete methyl cations [LnMe(2-x)(thf)n]((1+x)+) (x = 0, 1; thf = tetrahydrofuran) have been studied. As a synthetic equivalent for the elusive trimethyl complex [LnMe3], lithium methylates of the approximate composition [Li3LnMe6(thf)n] were prepared by treating rare-earth metal trichlorides [LnCl3(thf)n] with 6 equiv of methyllithium in diethyl ether. Heteronuclear complexes of the formula [Li3Ln2Me9L(n)] (Ln = Sc, Y, Tb; L = Et2O, thf) were isolated by crystallization from diethyl ether. Single crystal X-ray diffraction studies revealed a heterometallic aggregate of composition [Li3Ln2Me9(thf)n(Et2O)m] with a [LiLn2Me9](2-) core (Ln = Sc, Y, Tb). When tris(tetramethylaluminate) [Ln(AlMe4)3] (Ln = Y, Lu) was reacted with less than 1 equiv of [NR3H][BPh4], the dimethyl cations [LnMe2(thf)n][BPh4] were obtained. The coordination number as well as cis/trans isomer preference was studied by crystallographic and computational methods. Dicationic methyl complexes of the rare-earth metals of the formula [LnMe(thf)n][BAr4]2 (Ln = Sc, Y, La-Nd, Sm, Gd-Lu; Ar = Ph, C6H4F-4) were synthesized, by protonolysis of either the ate complex [Li3LnMe6(thf)n] (Ln = Sc, Y, Gd-Lu) or the tris(tetramethylaluminate) [Ln(AlMe4)3] (Ln = La-Nd, Sm, Dy, Gd) with ammonium borates [NR3H][BAr4] in thf. The number of coordinated thf ligands varied from n = 5 (Ln = Sc, Tm) to n = 6 (Ln = La, Y, Sm, Dy, Ho). The configuration of representative examples was determined by X-ray diffraction studies and confirmed by density-functional theory calculations. The highly polarized bonding between the methyl group and the rare-earth metal center results in the reactivity pattern dominated by the carbanionic character and the pronounced Lewis acidity: The dicationic methyl complex [YMe(thf)6](2+) inserted benzophenone as an electrophile to give the alkoxy complex [Y(OCMePh2)(thf)5](2+). Nucleophilic addition of

  6. Sm{sup 3+}-doped alkaline earth borate glasses as UV→visible photon conversion layer for solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Shen, L.F. [School of Textile and Material Engineering, Dalian Polytechnic University, Dalian 116034 (China); Department of Electronic Engineering, City University of Hong Kong, Tat Chee Avenue, Kowloon, Hong Kong (China); Chen, B.J.; Pun, E.Y.B. [Department of Electronic Engineering, City University of Hong Kong, Tat Chee Avenue, Kowloon, Hong Kong (China); Lin, H., E-mail: lhai8686@yahoo.com [School of Textile and Material Engineering, Dalian Polytechnic University, Dalian 116034 (China); Department of Electronic Engineering, City University of Hong Kong, Tat Chee Avenue, Kowloon, Hong Kong (China)

    2015-04-15

    Intense multi-peak red fluorescence emissions of Sm{sup 3+} are exhibited in alkaline-earth borate (LKZBSB) glasses under UV radiation. The spontaneous emission probabilities A{sub rad} corresponding to the {sup 4}G{sub 5/2}→{sup 6}H{sub J} (J=5/2, 7/2, 9/2 and 11/2) transitions are derived to be 24.74, 129.72, 117.03 and 32.23 s{sup −1}, respectively, and the relevant stimulated emission cross-sections σ{sub em} are 0.77×10{sup −22}, 4.46×10{sup −22}, 5.05×10{sup −22} and 1.38×10{sup −22} cm{sup 2}, confirming the effectiveness of red luminescence in Sm{sup 3+}-doped LKZBSB glasses. Quantitative characterization through the evaluation of absolute spectral parameters reveals that the quantum yield of Sm{sup 3+}-doped LKZBSB glasses is as high as 13.29%. Furthermore, with the introduction of Ce{sup 3+}, the effective excitation wavelength range and the emission intensity of Sm{sup 3+} in LKZBSB glasses are remarkably expanded and improved by a maximum sensitization factor of 9.02 in the UVB region. These results demonstrate that the present glass system has promising potential as an efficient UV→visible photon conversion layer for the enhancement of solar cell efficiency, including appealing applications in outer space. - Highlights: • Intense multi-peak red fluorescence emissions of Sm{sup 3+} are exhibited under UV radiation. • Effectiveness of red luminescence is confirmed by stimulated emission cross-sections. • Quantum yield of Sm{sup 3+}-doped LKZBSB glasses is 13.29% by quantitative characterization. • Effective excitation wavelength range and emission intensity are improved with Ce{sup 3+} doping. • Alkaline-earth borate glass has potential as solar cell UV→Vis photon conversion layer.

  7. Cationized dextran nanoparticle-encapsulated CXCR4-siRNA enhanced correlation between CXCR4 expression and serum alkaline phosphatase in a mouse model of colorectal cancer

    Directory of Open Access Journals (Sweden)

    Abedini F

    2012-07-01

    Full Text Available Fatemeh Abedini,1 Hossein Hosseinkhani,2 Maznah Ismail,1,3 Abraham J Domb,4 Abdul Rahman Omar,1,5 Pei Pei Chong,1,2 Po-Da Hong,3 Dah-Shyong Yu,6 Ira-Yudovin Farber41Laboratory of Molecular Biomedicine, Institute of Bioscience, Universiti Putra Malaysia, Selangor, 2Graduate Institute of Biomedical Engineering, National Taiwan University of Science and Technology, Taipei, Taiwan, 3Faculty of Medicine & Health Sciences, Universiti Putra Malaysia, Selangor, Malaysia, 4Institute of Drug Research, The Center for Nanoscience and Nanotechnology, School of Pharmacy-Faculty of Medicine, The Hebrew University of Jerusalem, Jerusalem, Israel, 5Faculty of Veterinary Medicine, Universiti Putra Malaysia, Selangor, Malaysia, 6Nanomedicine Research Center, National Defense Medical Center, Taipei, TaiwanPurpose: The failure of colorectal cancer treatments is partly due to overexpression of CXCR4 by tumor cells, which plays a critical role in cell metastasis. Moreover, serum alkaline phosphatase (ALP levels are frequently elevated in patients with metastatic colorectal cancer. A polysaccharide, dextran, was chosen as the vector of siRNA. Spermine was conjugated to oxidized dextran by reductive amination process to obtain cationized dextran, so-called dextran-spermine, in order to prepare CXCR4-siRNAs/dextran-spermine nanoparticles. The fabricated nanoparticles were used in order to investigate whether downregulation of CXCR4 expression could affect serum ALP in mouse models of colorectal cancer.Methods: Colorectal cancer was established in BALB/C mice following injection of mouse colon carcinoma cells CT.26WT through the tail vein. CXCR4 siRNA for two sites of the target gene was administered following injection of naked siRNA or siRNA encapsulated into nanoparticles.Results: In vivo animal data revealed that CXCR4 silencing by dextran-spermine nanoparticles significantly downregulated CXCR4 expression compared with naked CXCR4 siRNA. Furthermore, there was

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

    International Nuclear Information System (INIS)

    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 45Ca, 90Sr and 226Ra 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 45Ca (ratio = 3.1) while, in other cases such as 90Sr, the infant dose can be a significant fraction of the adult dose. (author)

  9. Electronic structures and second hyperpolarizabilities of alkaline earth metal complexes end-capped with NA2 (A = H, Li, Na).

    Science.gov (United States)

    Banerjee, Paramita; Nandi, Prasanta K

    2016-05-14

    The ground state structures and NLO properties of a number of alkaline earth metal complexes end-capped with NA2 groups (A = H, Li, Na) are calculated by employing the CAM-B3LYP, wB97XD and B2PLYP functionals along with MP2 and CCSD(T) for 6-311++G(d,p), 6-311++G(3df,3pd), aug-cc-pVTZ, aug-pc-2 and Hypol basis sets. The complexes are found to be significantly stable. The magnitude of second hyperpolarizability enhances appreciably with increase in the number of magnesium and calcium atoms in the chain, which has been indicated by the power law dependence γ = a + bn(c) with c values ranging from 2.4-4.3 for Mg and 2.4-3.7 for Ca complexes, respectively. The largest second-hyperpolarizability (10(9) au) is obtained for the complex Ca7(NNa2)2 at the CAM-B3LYP level. The two state model has been used to explain the variation of hyperpolarizabilities. PMID:27088138

  10. A preorganized metalloreceptor for alkaline earth ions showing calcium versus magnesium selectivity in water: biological activity of selected metal complexes.

    Science.gov (United States)

    Amatori, Stefano; Ambrosi, Gianluca; Fanelli, Mirco; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Micheloni, Mauro; Paoli, Paola; Rossi, Patrizia

    2014-08-25

    The N,N'-bis[(3-hydroxy-4-pyron-2-yl)methyl]-N,N'-dimethylethylendiamine (Malten = L) forms the highly stable [CuH(-2)L] species in water, in which the converging maltol oxygen atoms form an electron-rich area able to host hard metal ions. When considering the alkaline earth series (AE), the [Cu(H(-2)L)] species binds all metal ions, with the exception of Mg(2+), exhibiting the relevant property to discriminate Ca(2+) versus Mg(2+) at physiological pH 7.4; the binding of the AE metal is visible to the naked eye. The stability constant values of the trinuclear [AE{Cu(H(-2)L)}2](2+) species formed reach the maximum for Ca(2+) (log K=7.7). Ca(2+) also forms a tetranuclear [Ca{Cu(H(-2)L)}]2(4+) species at a high Ca(2+) concentration. Tri- and tetranuclear calcium complexes show blue- and pink-colored crystals, respectively. [Cu(H(-2)L)] is the most active species in inducing DNA alterations. The DNA damages are compatible with its hydrolytic cleavages.

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

    Science.gov (United States)

    Hereijgers, Bart P C; Weckhuysen, Bert 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 all studied catalyst materials, however, the selectivity for hydrogen increased from 15 % to 51 % when going from the unpromoted to a BaO-promoted catalyst. The formation of the undesired byproducts CO, methane, and dimethyl ether was considerably reduced as well. The observed trend in catalyst performance follows the trend in increasing basicity of the studied promoter elements, indicating a chemical effect of the promoter material. Superior catalytic performance, in terms of H(2) and CO selectivity, was obtained with a Au/La(2)O(3) catalyst. At 300 degrees C the hydrogen selectivity reached 80 % with only 2 % CO formation, and the catalyst displayed a stable performance over at least 24 h on-stream. Furthermore, the formation of CO was found to be independent of the oxygen concentration in the feed. The commercial lanthanum oxide used in this study had a low specific surface area, which led to the formation of relative large gold particles. Therefore, the catalytic activity could be enhanced by decreasing the gold particle size through deposition on lanthanum oxide supported on high-surface-area alumina.

  12. Dark-state suppression and optimization of laser cooling and fluorescence in a trapped alkaline-earth-metal single ion

    CERN Document Server

    Lindvall, T; Tittonen, I; Madej, A A; 10.1103/PhysRevA.86.033403

    2012-01-01

    We study the formation and destabilization of dark states in a single trapped 88Sr+ ion caused by the cooling and repumping laser fields required for Doppler cooling and fluorescence detection of the ion. By numerically solving the time-dependent density matrix equations for the eight-level system consisting of the sublevels of the 5s 2S1/2, 5p 2P1/2, and 4d 2D3/2 states, we analyze the different types of dark states and how to prevent them in order to maximize the scattering rate, which is crucial for both the cooling and the detection of the ion. The influence of the laser linewidths and ion motion on the scattering rate and the dark resonances is studied. The calculations are then compared with experimental results obtained with an endcap ion trap system located at the National Research Council of Canada and found to be in good agreement. The results are applicable also to other alkaline earth ions and isotopes without hyperfine structure.

  13. A Density Functional Theory Study of Codoping Characteristics of Sulfur with Alkaline Earth in Delafossite CuAlO2

    Science.gov (United States)

    Liu, Qi-Jun; Qin, Han; Liu, Zheng-Tang

    2016-04-01

    The structural, electronic properties and formation energies of sulfur and alkaline earth codoped delafossite CuAlO2 have been investigated using the first-principles density functional theory calculations. Our results reveal that the volume of codoping systems increases with the increasing atomic radius of metal atoms. The formation energies under different growth conditions have been calculated, showing that the codoping systems are formed easily under O-rich growth conditions. Electronic band structures and density of states have been obtained. The decreased bandgaps, enhanced covalence and appearance of electron acceptors after codoping are all good for p-type conductivity. Supported by the National Natural Science Foundation of China under Grant Nos. 11347199, 51402244, and 11547311, the Specialized Research Fund for Doctoral Program of Higher Education of China under Grant No. 20130184120028, the Fundamental Research Fund for the Central Universities, China under Grant Nos. 2682014CX084, 2682014ZT30, and 2682014ZT31, and the fund of the State Key Laboratory of Solidification Processing in NWPU under Grant No. SKLSP201511

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

    International Nuclear Information System (INIS)

    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)

  15. THEORETICAL-ANALYSIS OF THE O(1S) BINDING-ENERGY SHIFTS IN ALKALINE-EARTH OXIDES - CHEMICAL OR ELECTROSTATIC CONTRIBUTIONS

    NARCIS (Netherlands)

    PACCHIONI, G; BAGUS, PS

    1994-01-01

    We report results from ab initio cluster-model calculations on the O(1s) binding energy (BE) in the alkaline-earth oxides, MgO, CaO, SrO, and BaO; all these oxides have a cubic lattice structure. We have obtained values for both the initial- and final-state BE's. A simple point-charge model, where a

  16. Evaluation of AA5052 alloy anode in alkaline electrolyte with organic rare-earth complex additives for aluminium-air batteries

    Science.gov (United States)

    Wang, Dapeng; Li, Heshun; Liu, Jie; Zhang, Daquan; Gao, Lixin; Tong, Lin

    2015-10-01

    Behaviours of the AA5052 aluminium alloy anode of the alkaline aluminium-air battery are studied by the hydrogen evolution test, the electrochemical measurements and the surface analysis method. The combination of amino-acid and rare earth as electrolyte additives effectively retards the self-corrosion of AA5052 aluminium alloy in 4 M NaOH solution. It shows that the combination of L-cysteine and cerium nitrate has a synergistic effect owing to the formation of a complex film on AA5052 alloy surface. The organic rare-earth complex can decrease the anodic polarisation, suppress the hydrogen evolution and increase the anodic utilization rate.

  17. Double layer effects in electrocatalysis: the oxygen reduction reaction and ethanol oxidation reaction on Au(111), Pt(111) and Ir(111) in alkaline media containing Na and Li cations.

    Energy Technology Data Exchange (ETDEWEB)

    Lopes, Pietro P.; Strmcnik, Dusan; Jirkovsky, Jakub S.; Connell, Justin G.; Stamenkovic, Vojislav; Markovic, Nenad

    2016-03-15

    Oxygen reduction and ethanol oxidation reactions were studied on Au(111), Pt(111) and Ir(111) in alkaline solutions containing sodium and/or lithium cations. By keeping the same (111) surface orientation and exploring oxophilicity trends and non-covalent interactions between OHad and alkali metal cations (AMCn+), we were able to gain deep insights into the multiple roles that OHad plays in these important electrocatalytic reactions. Cyclic voltammetry experiments revealed that OHad formation initiates at distinct electrode potentials, governed by the oxophilicity of the specific metal surface, with further OHad adlayer stabilization by non-covalent alkali-cation interactions and affecting the formation of a “true oxide” layer at higher electrode potentials. Although OHad is a simple spectator for the ORR, it promotes the ethanol oxidation reaction (EOR) at lower potentials and act as spectator at high OHad coverages. By changing the alkali metal cation at the interface (Li+) on more oxophilic surfaces, it was possible to promote the EOR even more, relative to Na+, without changing the product distribution for the reaction. This cation effect suggests that OHad---Li+(H2O)x clusters can stabilize the ethoxide adlayer, thus improving the EOR activity. Our results indicate the importance of the entire electrochemical interface in determining the electrocatalytic activity during reaction.

  18. Influence of the ionic liquid cation on the solvent extraction of trivalent rare-earth ions by mixtures of Cyanex 923 and ionic liquids.

    Science.gov (United States)

    Rout, Alok; Binnemans, Koen

    2015-01-21

    Trivalent rare-earth ions were extracted from nitric acid medium by the neutral phosphine oxide extractant Cyanex 923 into ionic liquid phases containing the bis(trifluoromethylsulfonyl)imide anion. Five different cations were considered: 1-butyl-3-methylimidazolium, 1-decyl-3-methylimidazolium, methyltributylammonium, methyltrioctylammonium and trihexyl(tetradecyl)phosphonium. The extraction behavior of neodymium(iii) was investigated as a function of various parameters: pH, extractant concentration, concentration of the neodymium(iii) ion in the aqueous feed and concentration of the salting-out agent. The loading capacity of the ionic liquid phase was studied. The extraction efficiency increased with increasing pH of the aqueous feed solution. The extraction occurred for all ionic liquids via an ion-exchange mechanism and the extraction efficiency could be related to the solubility of the ionic liquid cation in the aqueous phase: high distribution ratios for hydrophilic cations and low ones for hydrophobic cations. Addition of nitrate ions to the aqueous phase resulted in an increase in extraction efficiency for ionic liquids with hydrophobic cations due to extraction of neutral complexes. Neodymium(iii) could be stripped from the ionic liquid phase by 0.5-1.0 M nitric acid solutions and the extracting phase could be reused. The extractability of other rare earths present in the mixture was compared for the five ionic liquids.

  19. Synthesis of monomeric and polymeric alkali and alkaline earth metal complexes using a phosphinoselenoic amide ligand in metal coordination sphere

    Indian Academy of Sciences (India)

    Jayeeta Bhattacharjee; Ravi K Kottalanka; Harinath Adimulam; Tarun K Panda

    2014-09-01

    We report the monomeric complexes of magnesium and calcium of composition [M(THF){2-Ph2P(Se)N(CMe3)}2] [M= Mg (3), n = 1 andM = Ca (4), n = 2)] and polymeric complexes of potassium and barium of composition [K(THF)2{Ph2P(Se)N(CMe3)}] (2) and [K(THF)Ba{Ph2P(Se)N(CMe3)}3](5) respectively. The potassium complex 2 was readily prepared by the reaction of potassium bis(trimethylsilyl)amide with phosphinoselenoic amide ligand (1) at ambient temperature. The calcium complex 4 was prepared by two synthetic routes: in the first method, commonly known as salt metathesis reaction, the potassium complex 2 was made to react with alkaline earth metal diiodide at room temperature to afford the corresponding calcium complex. The metal bis(trimethylsilyl)amides were made to react with protic ligand 1 in the second method to eliminate the volatile bis(trimethyl)silyl amine. The magnesium complex 3 and barium complex 5 were prepared only through the first method. Solid-state structures of all the new complexes were established by single crystal X-ray diffraction analysis. The smaller ionic radii of Mg2+ (0.72Å) and Ca2+ (0.99Å) ions form the monomeric complex, whereas the larger ions K+ (1.38Å) and Ba2+ (1.35Å) were found to form onedimensional polymeric complexes with monoanionic ligand 1. Compound 2 serves an example of magnesium complex with a Mg-Se direct bond.

  20. Band structure and electrical properties of MBE grown HfO{sub 2} - based alkaline earth Perovskites

    Energy Technology Data Exchange (ETDEWEB)

    Peter, Dudek; Grzegorz, Lupina; Grzegorz, Kozlowski; Jarek, Dabrowski; Gunther, Lippert; Hans-Joachim, Muessig; Thomas, Schroeder [IHP-Microelectronics, Frankfurt, Oder (Germany); Dieter, Schmeisser [BTU, Cottbus (Germany)

    2010-07-01

    Ultra thin dielectric films (<20 nm) deposited on TiN electrodes are interesting for MIM capacitor application. High capacitance density and dielectric permittivity must be accompanied by extremely low leakage currents (10{sup -8} A/cm{sup 2}) at bias 0.5 V. To achieve such low leakage currents, high band gap and proper band alignment is required. Occupied electronic states can be probed with standard laboratory photoemission methods. Probing of unoccupied states is more challenging. Synchrotron based PES in combination with XAS forms a powerful method to study the band alignment. ASAM end station located at the U 49/2 PGM 2 beamline of BESSY II (Berlin) offers excellent conditions for performing such measurements. We investigated HfO{sub 2} - based alkaline earth perovskite - BaHfO{sub 3} with subsequent admixture of TiO{sub 2}, resulting in formation of BaHf{sub 0.5}Ti{sub 0.5}O{sub 3} compound. The analysis of data indicates that band gap for HfO{sub 2} is similar to BaHfO{sub 3} and amounts 5.8 eV; for BaHf{sub 0.5}Ti{sub 0.5}O{sub 3} it decreases to 3.8 eV. We conclude that the addition of TiO{sub 2} to BaHfO{sub 3} increases significantly the dielectric permittivity but also impacts the band gap alignment. The conduction band offset shrinks, influencing the leakage current behavior.

  1. Ab Initio Quantum Mechanical Study of the Structure and Stability of the Alkaline Earth Metal Oxides and Peroxides

    Science.gov (United States)

    Königstein, Markus; Catlow, C. Richard A.

    1998-10-01

    We report a detailed computationally study of the stability of the alkaline earth metal peroxidesMO2(M=Ba, Sr, Ca, Mg, Be) with respect to decomposition into the corresponding oxidesMOand molecular oxygen using Hartree-Fock and density functional theory (DFT) techniques. A comparison between calculated and experimental binding energies indicates that the DFT method is most suitable for a correct description of the peroxide bond. The DFT reaction energies for the peroxide decompositionMO2→MO+{1}/{2}O2show that only BaO2and SrO2are thermodynamically stable compounds, while CaO2(in the calcium carbide structure), MgO2, and BeO2(in the pyrite structure) are energetically unstable with reaction energies of -24.7, -26.8, and -128.7kJ/mol, respectively, and are therefore unlikely to exist as pure compounds. The published calcium carbide structure for CaO2is probably incorrect, at least for pure calcium peroxide, since apart from the thermodynamical instability the compound is more stable in the pyrite structure by 25.5 kJ/mol. Our analysis suggests that the water and/or hydrogen peroxide content of experimentally prepared MgO2samples is necessary for the stabilization of the structure, while BeO2is clearly unstable under ambient conditions. We studied also the effect of the zero point energies and the entropies on the decomposition free energies and, for this purpose, performed atomistic lattice simulations based on interatomic potentials, which we derived from ourab initiodata; the results indicate a negligible effect of the zero point energies, while the entropy terms favor the decomposition reaction by ca. 20 kJ/mol at 298.15 K.

  2. Ab initio quantum mechanical study of the structure and stability of the alkaline earth metal oxides and peroxides

    Energy Technology Data Exchange (ETDEWEB)

    Koenigstein, M.; Catlow, C.R.A. [Royal Institution of Great Britain, London (United Kingdom). Davy Faraday Research Lab.

    1998-10-01

    The authors report a detailed computational study of the stability of the alkaline earth metal peroxides MO{sub 2} (M = Ba, Sr, Ca, Mg, Be) with respect to decomposition into the corresponding oxides Mo and molecular oxygen using Hartree-Fock and density functional theory (DFT) techniques. A comparison between calculated and experimental binding energies indicates that the DFT method is most suitable for a correct description of the peroxide bond. The DFT reaction energies for the peroxide decomposition MO{sub 2} {yields} MO + {1/2}O{sub 2} show that only BaO{sub 2} and SrO{sub 2} are thermodynamically stable compounds, while CaO{sub 2} (in the calcium carbide structure), MgO{sub 2}, and BeO{sub 2} (in the pyrite structure) are energetically unstable with reaction energies of {minus}24.7, {minus}26.8, and {minus}128.7 kJ/mol, respectively, and are therefore unlikely to exist as pure compounds. The published calcium carbide structure for CaO{sub 2} is probably incorrect, at least for pure calcium peroxide, since apart from the thermodynamical instability the compound is more stable in the pyrite structure by 25.5 kJ/mol. The analysis suggests that the water and/or hydrogen peroxide content of experimentally prepared MgO{sub 2} samples is necessary for the stabilization of the structure, while BeO{sub 2} is clearly unstable under ambient conditions. The authors studied also the effect of the zero point energies and the entropies on the decomposition free energies and, for this purpose, performed atomistic lattice simulations based on interatomic potentials, which they derived from their ab initio data; the results indicate a negligible effect of the zero point energies, while the entropy terms favor the decomposition reaction by ca. 20 kJ/mol at 298.15 K.

  3. Photoelectron Experiments and Studies of X-Ray Absorption Near Edge Structure in Alkaline-Earth and Rare - Fluorides.

    Science.gov (United States)

    Gao, Yuan

    Alkaline-earth fluorides and rare-earth trifluorides possess technological importance for applications in multi -layer electronic device structures and opto-electronic devices. Interfaces between thin films of YbF _3 and Si(111) substrates were studied by photoelectron spectroscopy and x-ray absorption spectroscopy using synchrotron radiation. Results of YbF_3 /Si(111) were compared with those of TmF _3/Si(111). While electrons in the Si valence band are prevented from occupying the empty 4f levels in TmF_3 at the interface by the on -site Coulomb repulsion energy, the charge transfer from Si to YbF_3 is possible because the totally filled 4f states in Yb still lie below the Si valence band maximum. The theory of x-ray absorption near edge structure (XANES) is incomplete except for a few particularly simple special cases. A Bragg reflection model was developed to qualitatively explain the oscillations in XANES, in terms of the scattering of the photoelectron wave between families of lattice planes as set out by the Bragg condition for backscattering. The model was found to represent the data for systems with nearly free electron like conduction bands reasonably well. High resolution CaF_2 fluorine K edge XANES was used as a prototype to understand XANES in more depth on systems with strong core hole effects. Unlike previous work which involved multiple scattering cluster calculations that include only short range order effects, both the long range order and the symmetry breaking core holes are included in a new bandstructure approach in which the core hole is treated with a supercell technique. A first principles calculation with the use of pseudopotentials successfully reproduced all the main features of the first 15 eV of the fluorine K edge in CaF_2 which had not been explained with the cluster calculations. A comparison of the theoretical and experimental fluorine K edges in CaF_2 and BaF _2 was used to identify the structure related features. The possibility

  4. Cation size effect on the thermochromic properties of rare earth cobaltites RECoO3 (RE: La, Nd, Sm)

    Science.gov (United States)

    Capon, F.; Boileau, A.; Carteret, C.; Martin, N.; Boulet, P.; Pierson, J. F.

    2013-09-01

    RECoO3 (RE: rare earth) perovskite thin films have been deposited at room temperature by direct current co-sputtering and subsequent annealing in air at 923 K during 1 day. The effect of the octahedra tilts on the optical properties has been tracked decreasing the RE cation size. The bending and stretching vibrational modes of the CoO6/2 octahedra give information on the Co-O distances and the Co-O-Co angles which determine the Co-O overlap integral and hence the electric properties of these perovskites. Transmittance measurements in the 1.42-100 μm wavelength range show a high transparency at room temperature. When temperature increases, an optical screening effect depending on the RE3+ ionic radii (i.e., Co-O-Co angles) and resulting from the electrical behaviour occurs. At the wavelength of 8 μm, the transmittance drops from about 90% at room temperature to 50% at the temperature of 516, 600, and 640 K for LaCoO3, NdCoO3, and SmCoO3, respectively.

  5. Cation size effect on the thermochromic properties of rare earth cobaltites RECoO{sub 3} (RE: La, Nd, Sm)

    Energy Technology Data Exchange (ETDEWEB)

    Capon, F.; Boileau, A.; Boulet, P.; Pierson, J. F. [Université de Lorraine, Institut Jean Lamour, Département CP2S, UMR 7198, Parc de Saurupt, CS 50840, 54011 Nancy (France); Carteret, C. [LCPME, UMR 7564, CNRS Université de Lorraine, 405 rue de Vandoeuvre, 54600 Villers-lès-Nancy (France); Martin, N. [Institut FEMTO-ST, Département MN2S, UMR 6174, 32, Avenue de l' Observatoire, 25044 Besançon Cedex (France)

    2013-09-21

    RECoO{sub 3} (RE: rare earth) perovskite thin films have been deposited at room temperature by direct current co-sputtering and subsequent annealing in air at 923 K during 1 day. The effect of the octahedra tilts on the optical properties has been tracked decreasing the RE cation size. The bending and stretching vibrational modes of the CoO{sub 6/2} octahedra give information on the Co–O distances and the Co–O–Co angles which determine the Co–O overlap integral and hence the electric properties of these perovskites. Transmittance measurements in the 1.42–100 μm wavelength range show a high transparency at room temperature. When temperature increases, an optical screening effect depending on the RE{sup 3+} ionic radii (i.e., Co-O-Co angles) and resulting from the electrical behaviour occurs. At the wavelength of 8 μm, the transmittance drops from about 90% at room temperature to 50% at the temperature of 516, 600, and 640 K for LaCoO{sub 3}, NdCoO{sub 3}, and SmCoO{sub 3}, respectively.

  6. The influence of alkaline earth metal equilibria on the rheological, melting and textural properties of Cheddar cheese.

    Science.gov (United States)

    Cooke, Darren R; McSweeney, Paul L H

    2013-11-01

    The total calcium content of cheese, along with changes in the equilibrium between soluble and casein (CN)-bound calcium during ripening can have a major impact on its rheological, functional and textural properties; however, little is known about the effect of other alkaline earth metals. NaCl was partially substituted with MgCl2 or SrCl2 (8·7 and 11·4 g/kg curd, respectively) at the salting stage of cheesemaking to study their effects on cheese. Three cheeses were produced: Mg supplemented (+Mg), Sr supplemented (+Sr) and a control Cheddar cheese. Ca, Mg and Sr contents of cheese and expressible serum obtained therefrom were determined by atomic absorption spectroscopy. Addition of Mg2+ or Sr2+ had no effect on % moisture, protein, fat and extent of proteolysis. A proportion of the added Mg2+ and Sr2+ became CN-bound. The level of CN-bound Mg was higher in the +Mg cheese than the control throughout ripening. The level of CN-bound Ca and Mg decreased during ripening in all cheeses, as did % CN-bound Sr in the +Sr cheese. The presence of Sr2+ increased % CN-bound Ca and Mg at a number of ripening times. Adding Mg2+ had no effect on % CN-bound Ca. The +Sr cheese exhibited a higher G' at 70 °C and a lower LTmax than the control and +Mg cheeses throughout ripening. The +Sr cheese had significantly lower meltability compared with the control and +Mg cheeses after 2 months of ripening. Hardness values of the +Sr cheese were higher at week 2 than the +Mg and control cheeses. Addition of Mg2+ did not influence the physical properties of cheese. Supplementing cheese with Sr appeared to have effects analogous to those previously reported for increasing Ca content. Sr2+ may form and/or modify nanocluster crosslinks causing an increase in the strength of the para-casein matrix.

  7. Effect of the alkaline cation size on the conductivity in gel polymer electrolytes and their influence on photo electrochemical solar cells.

    Science.gov (United States)

    Bandara, T M W J; Fernando, H D N S; Furlani, M; Albinsson, I; Dissanayake, M A K L; Ratnasekera, J L; Mellander, B-E

    2016-04-28

    The nature and concentration of cationic species in the electrolyte exert a profound influence on the efficiency of nanocrystalline dye-sensitized solar cells (DSSCs). A series of DSSCs based on gel electrolytes containing five alkali iodide salts (LiI, NaI, KI, RbI and CsI) and polyacrylonitrile with plasticizers were fabricated and studied, in order to investigate the dependence of solar cell performance on the cation size. The ionic conductivity of electrolytes with relatively large cations, K(+), Rb(+) and Cs(+), was higher and essentially constant, while for the electrolytes containing the two smaller cations, Na(+) and Li(+), the conductivity values were lower. The temperature dependence of conductivity in this series appears to follow the Vogel-Tamman-Fulcher equation. The sample containing the smallest cation shows the lowest conductivity and the highest activation energy of ∼36.5 meV, while K(+), Rb(+) and Cs(+) containing samples show an activation energy of ∼30.5 meV. DSSCs based on the gel electrolyte and a TiO2 double layer with the N719 dye exhibited an enhancement in the open circuit voltage with increasing cation size. This can be attributed to the decrease in the recombination rate of electrons and to the conduction band shift resulting from cation adsorption by TiO2. The maximum efficiency value, 3.48%, was obtained for the CsI containing cell. The efficiencies shown in this study are lower compared to values reported in the literature, and this can be attributed to the use of a single salt and the absence of other additives, since the focus of the present study was to analyze the cation effect. The highest short circuit current density of 9.43 mA cm(-2) was shown by the RbI containing cell. The enhancement of the solar cell performance with increasing size of the cation is discussed in terms of the effect of the cations on the TiO2 anode and ion transport in the electrolyte. In liquid electrolyte based DSSCs, the short circuit current density

  8. Synthesis, structure peculiarities and electric conductivity of alkali metal-rare earth silicates (germanates)

    International Nuclear Information System (INIS)

    The process of obtaining of rare earth-alkali metal silicates (germanates) is studied. The analysis of possibilities of structural disordering of alkaline cations in these structures is given. The interaction of the structure of different by the composition alkali alkali metal - rare earth silicates with electric conductivity values is shown

  9. Coordination of alkaline earth metal ions in the inverted cucurbit[7]uril supramolecular assemblies formed in the presence of [ZnCl4]2- and [CdCl4]2-.

    Science.gov (United States)

    Li, Qing; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin

    2015-05-01

    A convenient method to isolate inverted cucurbit[7]uril (iQ[7]) from a mixture of water-soluble Q[n]s was established by eluting the soluble mixture of Q[n]s on a Dowex (H(+) form) column so that iQ[7] could be selected as a ligand for coordination and supramolecular assembly with alkaline earth cations (AE(2+)) in aqueous HCl solutions in the presence of [ZnCl(4)](2-) and [CdCl(4)](2-) anions as structure-directing agents. Single-crystal X-ray diffraction analysis revealed that both iQ[7]-AE(2+) -[ZnCl(4)](2-) -HCl and iQ[7]-AE(2+) -[CdCl(4)](2-) -HCl interaction systems yielded supramolecular assemblies, in which the [ZnCl(4)](2-) and [CdCl(4)](2-) anions presented a honeycomb effect, and this resulted in the formation of linear iQ[7]/AE(2+) coordination polymers through outer-surface interactions of Q[n]s.

  10. Electronic structure, optical properties and bonding in alkaline earth halo-fluoride scintillators: BaClF, BaBrF and BaIF

    Energy Technology Data Exchange (ETDEWEB)

    Yedukondalu, N. [University of Hyderabad; Babu, K. Ramesh [University of Hyderabad; Bheemalingam, Ch. [University of Hyderabad; Singh, David J [ORNL; Vaitheeswaran, G. [University of Hyderabad; Kanchana, V. [IIT Hyderabad

    2011-01-01

    We report first-principles studies of the structural, electronic, and optical properties of the alkaline-earth halofluorides, BaXF (X = Cl, Br, and I), including pressure dependence of structural properties. The band structures show clear separation of the halogen p derived valence bands into higher binding energy F and lower binding energy X derived manifolds reflecting the very high electronegativity of F relative to the other halogens. Implications of this for bonding and other properties are discussed. We find an anisotropic behavior of the structural parameters especially of BaIF under pressure. The optical properties on the other hand are almost isotropic, in spite of the anisotropic crystal structures.

  11. An {\\it ab initio} relativistic coupled-cluster theory of dipole and quadrupole polarizabilities: Applications to a few alkali atoms and alkaline earth ions

    CERN Document Server

    Sahoo, B K

    2006-01-01

    We present a general approach within the relativistic coupled-cluster theory framework to calculate exactly the first order wave functions due to any rank perturbation operators. Using this method, we calculate the static dipole and quadrupole polarizabilities in some alkali atoms and alkaline earth-metal ions. This may be a good test of the present theory for different rank and parity interaction operators. This shows a wide range of applications including precise calculations of both parity and CP violating amplitudes due to rank zero and rank one weak interaction Hamiltonians. We also give contributions from correlation effects and discuss them in terms of lower order many-body perturbation theory.

  12. 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

    2015-09-01

    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.

  13. Coordination and ion-ion interactions of chromium centers in alkaline earth zinc borate glasses probed by electron paramagnetic resonance and optical spectroscopy

    Science.gov (United States)

    Sumalatha, B.; Omkaram, I.; Rajavardana Rao, T.; Linga Raju, Ch

    2013-05-01

    Electron paramagnetic resonance (EPR), optical absorption and FT-IR studies have been carried out on chromium ions incorporated in alkaline earth zinc borate glasses. The EPR spectra exhibit two resonance signals with effective g values at g ≈ 1.99 and ≈1.97. The resonance signal at g ≈ 1.99 is attributed to the contribution from both the exchange coupled Cr3+-Cr3+ ion pairs and the isolated Cr3+ ions and the resonance signal at g ≈ 1.97 is due to Cr5+ ions. The paramagnetic susceptibility (χ) was calculated from the EPR data at various (123-303 K) temperatures and the Curie temperature (θp) was calculated from the 1/χ-T graph. The optical absorption spectra exhibit three bands at ˜360 nm, ˜440 nm and a broad band at ˜615 nm characteristic of Cr3+ ions in an octahedral symmetry. From the observed band positions, the crystal-field splitting parameter Dq and the Racah parameters (B and C) have been evaluated. From the ultraviolet edges, the optical band gap energies (Eopt) and Urbach energy (ΔE) are calculated. The theoretical optical basicity (Λth) of these glasses has also been evaluated. Chromium ions doped alkaline earth zinc borate glasses show BO3 and BO4 structural units in the FT-IR studies.

  14. Coordination and ion–ion interactions of chromium centers in alkaline earth zinc borate glasses probed by electron paramagnetic resonance and optical spectroscopy

    International Nuclear Information System (INIS)

    Electron paramagnetic resonance (EPR), optical absorption and FT-IR studies have been carried out on chromium ions incorporated in alkaline earth zinc borate glasses. The EPR spectra exhibit two resonance signals with effective g values at g ≈ 1.99 and ≈1.97. The resonance signal at g ≈ 1.99 is attributed to the contribution from both the exchange coupled Cr3+–Cr3+ ion pairs and the isolated Cr3+ ions and the resonance signal at g ≈ 1.97 is due to Cr5+ ions. The paramagnetic susceptibility (χ) was calculated from the EPR data at various (123–303 K) temperatures and the Curie temperature (θp) was calculated from the 1/χ–T graph. The optical absorption spectra exhibit three bands at ∼360 nm, ∼440 nm and a broad band at ∼615 nm characteristic of Cr3+ ions in an octahedral symmetry. From the observed band positions, the crystal-field splitting parameter Dq and the Racah parameters (B and C) have been evaluated. From the ultraviolet edges, the optical band gap energies (Eopt) and Urbach energy (ΔE) are calculated. The theoretical optical basicity (Λth) of these glasses has also been evaluated. Chromium ions doped alkaline earth zinc borate glasses show BO3 and BO4 structural units in the FT-IR studies. (paper)

  15. 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

    2015-09-01

    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. PMID:26266695

  16. MB82- (M=Be,Mg,Ca,Sr,and Ba):Planar octacoordinate alkaline earth metal atoms enclosed by boron rings

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    Complexes involving planar octacoordinate alkaline earth metal atoms in the centers of eight-membered boron rings have been investigated by two density functional theory (DFT) methods.BeB82-with D8h symmetry is predicted to be stable,both geometrically and electronically,since a good match is achieved between the size of the central beryllium atom and the eight-membered boron ring.By contrast,the other alkaline earth metal atoms cannot be stabilized in the center of a planar eight-membered boron ring because of their large radii.By following the out-of-plane imaginary vibrational frequency,pyramidal C8v MgB82-,CaB82-,SrB82-,and BaB82-structures are obtained.The presence of delocalized π and σ valence molecular orbitals in D8h BeB82-gives rise to aromaticity,which is reflected by the value of the nucleus-independent chemical shift.The D8h BeB82-structure is confirmed to be the global minimum on the potential energy surface.

  17. Comparative investigation on the effect of alkaline earth oxides on the intensity of absorption bands due to Cu2+, Mn3+ and Cr3+ ions in ternary silicate glasses

    Indian Academy of Sciences (India)

    S P Singh; Aman; Anal Tarafder

    2004-06-01

    Absorption characteristics of Cu2+, Mn3+ and Cr3+ ions in ternary silicate (20Na2O.10RO.70SiO2, where R=Ca, Sr, Ba) glasses were investigated. The intensities of absorption bands due to Cu2+ ion was found to increase with increasing ionic radii of the alkaline earth ions whereas it was found to decrease in case of Mn3+ and Cr3+ ions with increasing ionic radii of the alkaline earth ions. The results were discussed in the light of relation between linear extinction coefficients of these ions and coulombic force of alkaline earth ions. The change in intensities of Cu2+, Mn3+ and Cr3+ ion is attributed due to change in silicate glass compositions.

  18. Volatilisation of alkali and alkaline earth metallic species during the pyrolysis of biomass: differences between sugar cane bagasse and cane trash.

    Science.gov (United States)

    Keown, Daniel M; Favas, George; Hayashi, Jun-ichiro; Li, Chun-Zhu

    2005-09-01

    Sugar cane bagasse and cane trash were pyrolysed in a novel quartz fluidised-bed/fixed-bed reactor. Quantification of the Na, K, Mg and Ca in chars revealed that pyrolysis temperature, heating rate, valence and biomass type were important factors influencing the volatilisation of these alkali and alkaline earth metallic (AAEM) species. Pyrolysis at a slow heating rate (approximately 10 K min(-1)) led to minimal (often biomass samples. Fast heating rates (>1000 K s(-1)), encouraging volatile-char interactions with the current reactor configuration, resulted in the volatilisation of around 80% of Na, K, Mg and Ca from bagasse during pyrolysis at 900 degrees C. Similar behaviour was observed for monovalent Na and K with cane trash, but the volatilisation of Mg and Ca from cane trash was always restricted. The difference in Cl content between bagasse and cane trash was not sufficient to fully explain the difference in the volatilisation of Mg and Ca.

  19. Adsorption of alkali, alkaline-earth, simple and 3d transition metal, and nonmetal atoms on monolayer MoS2

    Directory of Open Access Journals (Sweden)

    X. D. Li

    2015-05-01

    Full Text Available Single adsorption of different atoms on pristine two-dimensional monolayer MoS2 have been systematically investigated by using density functional calculations with van der Waals correction. The adatoms cover alkali metals, alkaline earth metals, main group metal, 3d-transition metals, coinage metal and nonmetal atoms. Depending on the adatom type, metallic, semimetallic or semiconducting behavior can be found in direct bandgap monolayer MoS2. Additionally, local or long-range magnetic moments of two-dimensional MoS2 sheet can also attained through the adsorption. The detailed atomic-scale knowledge of single adsorption on MoS2 monolayer is important not only for the sake of a theoretical understanding, but also device level deposition technological application.

  20. Production of Synthesis Gas via Methane Reforming with CO2 on Ni/SiO2 Catalysts Promoted by Alkali and Alkaline Earth Metals

    Institute of Scientific and Technical Information of China (English)

    陈平; 侯昭胤; 郑小明

    2005-01-01

    Ni/SiO2 catalysts promoted by alkali metals K and Cs or alkaline earth metals Mg, Ca, Sr and Ba were prepared, characterized by H2-TPR and XRD, and used for the production of synthesis gas via methane reforming with CO2. Though K and Cs promoted Ni catalysts could eliminate coke deposition, the reforming activity of these promoted catalysts was decreased heavily. Mg and Ca promoted Ni/SiO2 catalysts exhibited excellent coke resistance ability with minor loss of the reforming activity of Ni/SiO2. Ba showed poor coke resistance ability and small amount of Sr increased the formation of coke. The possible mechanism of these promoters was discussed.

  1. Additive effects of alkaline-earth metals and nickel on the performance of Co/γ-Al2O3 in methane catalytic partial oxidation

    Institute of Scientific and Technical Information of China (English)

    Changlin Yu; Weizheng Weng; Qing Shu; Xiangjie Meng; Bin Zhang; Xirong Chen; Xiaochun Zhou

    2011-01-01

    Nano-sized γ-alumina(γ-Al2O3)was first prepared by a precipitation method.Then,active component of cobalt and a series of alkalineearth metal promoters or nickel(Ni)with different contents were loaded on the γ-Al2O3 support.The catalysts were characterized by N2 adsorption-desorption,X-ray diffraction(XRD)and thermogravimetry analysis(TGA).The activity and selectivity of the catalysts in catalytic partial oxidation(CPO)of methane have been compared with Co/γ-Al2O3,and it is found that the catalytic activity,selectivity,and stability are enhanced by the addition of alkaline-earth metals and nickel.The optimal loadings of strontium(Sr)and Ni were 6 and 4 wt%,respectively.This finding will be helpful in designing the trimetallic Co-Ni-Sr/γ-Al2O3 catalysts with high performance in CPO of methane.

  2. Dispersion coefficients for the interactions of the alkali and alkaline-earth ions and inert gas atoms with a graphene layer

    CERN Document Server

    Kaur, Kiranpreet; Sahoo, B K

    2015-01-01

    Largely motivated by a number of applications, the van der Waals dispersion coefficients ($C_3$s) of the alkali ions (Li$^+$, Na$^+$, K$^+$ and Rb$^+$), the alkaline-earth ions (Ca$^+$, Sr$^+$, Ba$^+$ and Ra$^+$) and the inert gas atoms (He, Ne, Ar and Kr) with a graphene layer are determined precisely within the framework of Dirac model. For these calculations, we have evaluated the dynamic polarizabilities of the above atomic systems very accurately by evaluating the transition matrix elements employing relativistic many-body methods and using the experimental values of the excitation energies. The dispersion coefficients are, finally, given as functions of the separation distance of an atomic system from the graphene layer and the ambiance temperature during the interactions. For easy extraction of these coefficients, we give a logistic fit to the functional forms of the dispersion coefficients in terms of the separation distances at the room temperature.

  3. Dispersion coefficients for the interactions of the alkali-metal and alkaline-earth-metal ions and inert-gas atoms with a graphene layer

    Science.gov (United States)

    Kaur, Kiranpreet; Arora, Bindiya; Sahoo, B. K.

    2015-09-01

    Largely motivated by a number of applications, the van der Waals dispersion coefficients C3 of the alkali-metal ions Li+,Na+,K+, and Rb+, the alkaline-earth-metal ions Ca+,Sr+,Ba+, and Ra+, and the inert-gas atoms He, Ne, Ar, and Kr with a graphene layer are determined precisely within the framework of the Dirac model. For these calculations, we evaluate the dynamic polarizabilities of the above atomic systems very accurately by evaluating the transition matrix elements employing relativistic many-body methods and using the experimental values of the excitation energies. The dispersion coefficients are given as functions of the separation distance of an atomic system from the graphene layer and the ambiance temperature during the interactions. For easy extraction of these coefficients, we give a logistic fit to the functional forms of the dispersion coefficients in terms of the separation distances at room temperature.

  4. Determination of rare earth elements, uranium and thorium in geological samples by ICP-MS, using an automatic fusion machine as an alkaline digestion tool.

    Science.gov (United States)

    Granda, Luis; Rivera, Maria; Velasquez, Colon; Barona, Diego; Carpintero, Natalia

    2014-05-01

    At the present time, rare earth elements deposits have became in strategic resources for extraction of raw materials in order to manufacture high tech devices (computers, LCD, cell phones, batteries for hybrid vehicles, fiber optics and wind turbines) (1).The appropriate analytical determination of the REE ( rare earth elements) in sediment and rock samples , is important to find potential deposits and to recognize geological environments for identifying possible alterations and mineral occurrences. The alkaline fusion, which aim is to move the entire sample from solid to liquid state by forming water soluble complexes of boron and lithium, as a previous procedure for the determination of these elements, usually takes a lot of time due to the complexity of the analysis phase and by the addition of other reagents (Tm and HF ) (2) to compensate the lack of strict temperature control. The objective of this work is to develop an efficient alternative to alkaline digestion using an electrical fusion machine, which allows to create temperature programs with advanced process control and supports up to 5 samples simultaneously, which generates a reproducibility of the method and results during the melting step. Additionally, this new method permits the processing of a larger number of samples in a shorter time. The samples analyzed in this method were weighed into porcelain crucibles and subjected to calcination for 4 hours at 950 ° C in order to determine the Lost on Ignition (LOI ) , that serves to adjust the analytical results and to preserve the shelf life of the platinum ware. Subsequently, a fraction of the calcined sample was weighed into platinum crucibles and mixed with ultra-pure lithium metaborate ( flux ) 1:4 . The crucible was then placed in the fusion machine, which was programmed to take the sample from room temperature to 950 ° C in five minutes, make a small ramp to 970 ° C maintain that temperature for five minutes and download the melt in a 10 % v / v

  5. Enhanced NH{sub 3} gas sensing performance based on electrospun alkaline-earth metals composited SnO{sub 2} nanofibers

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Shuang [Key Laboratory of Functional Inorganic Material Chemistry, Ministry of Education, Key Laboratory of Physical Chemistry, School of Chemistry and Material Science, Heilongjiang University, Harbin 150080 (China); Kan, Kan [Key Laboratory of Functional Inorganic Material Chemistry, Ministry of Education, Key Laboratory of Physical Chemistry, School of Chemistry and Material Science, Heilongjiang University, Harbin 150080 (China); Daqing Branch, Heilongjiang Academy of Sciences, Daqing 163319 (China); Yang, Ying; Jiang, Chao [Key Laboratory of Functional Inorganic Material Chemistry, Ministry of Education, Key Laboratory of Physical Chemistry, School of Chemistry and Material Science, Heilongjiang University, Harbin 150080 (China); Gao, Jun [Key Laboratory of Functional Inorganic Material Chemistry, Ministry of Education, Key Laboratory of Physical Chemistry, School of Chemistry and Material Science, Heilongjiang University, Harbin 150080 (China); Department of Chemistry, Harbin Normal University, Harbin 150025 (China); Jing, Liqiang [Key Laboratory of Functional Inorganic Material Chemistry, Ministry of Education, Key Laboratory of Physical Chemistry, School of Chemistry and Material Science, Heilongjiang University, Harbin 150080 (China); Shen, Peikang [Department of Physics and Engineering Sun Yat-sen University, Guangzhou 510275 (China); Li, Li, E-mail: llwjjhlju@sina.cn [Key Laboratory of Functional Inorganic Material Chemistry, Ministry of Education, Key Laboratory of Physical Chemistry, School of Chemistry and Material Science, Heilongjiang University, Harbin 150080 (China); Key Laboratory of Chemical Engineering Process and Technology for High-efficiency Conversion, School of Chemistry and Material Science, Heilongjiang University, Harbin 150080 (China); and others

    2015-01-05

    Highlights: • The small-sized SnO{sub 2} (5–7 nm) were obtained by adding the alkaline-earth. • Sr-composited SnO{sub 2} nanofibers showed uniform nanotubes structure (Sr/SnO{sub 2}). • Sr/SnO{sub 2} showed an excellent sensing performance to NH{sub 3} at room temperature. - Abstract: One-dimensional alkaline-earth metals composited SnO{sub 2} (Ae/SnO{sub 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{sub 2} was 5–7 nm, which was smaller than the pristine SnO{sub 2} nanorods attached by 20 nm nanoparticles. Moreover, Sr/SnO{sub 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{sub 2} nanotubes exhibited an excellent sensing response toward NH{sub 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{sub 2} nanorods. The enhanced sensor performances were attributed to the higher conductivity of the Sr/SnO{sub 2}. Mott–Schottky plots (M–S) and electrochemical impedance spectroscopy (EIS) measurements indicated that the carrier density of Sr/SnO{sub 2} nanotubes was 3 fold of that pristine SnO{sub 2}.

  6. Comparisons between adsorption and diffusion of alkali, alkaline earth metal atoms on silicene and those on silicane: Insight from first-principles calculations

    Science.gov (United States)

    Bo, Xu; Huan-Sheng, Lu; Bo, Liu; Gang, Liu; Mu-Sheng, Wu; Chuying, Ouyang

    2016-06-01

    The adsorption and diffusion behaviors of alkali and alkaline-earth metal atoms on silicane and silicene are both investigated by using a first-principles method within the frame of density functional theory. Silicane is staler against the metal adatoms than silicene. Hydrogenation makes the adsorption energies of various metal atoms considered in our calculations on silicane significantly lower than those on silicene. Similar diffusion energy barriers of alkali metal atoms on silicane and silicene could be observed. However, the diffusion energy barriers of alkali-earth metal atoms on silicane are essentially lower than those on silicene due to the small structural distortion and weak interaction between metal atoms and silicane substrate. Combining the adsorption energy with the diffusion energy barriers, it is found that the clustering would occur when depositing metal atoms on perfect hydrogenated silicene with relative high coverage. In order to avoid forming a metal cluster, we need to remove the hydrogen atoms from the silicane substrate to achieve the defective silicane. Our results are helpful for understanding the interaction between metal atoms and silicene-based two-dimensional materials. Project supported by the Natural Science Foundation of Jiangxi Province, China (Grant Nos. 20152ACB21014, 20151BAB202006, and 20142BAB212002) and the Fund from the Jiangxi Provincial Educational Committee, China (Grant No. GJJ14254). Bo Xu is also supported by the Oversea Returned Project from the Ministry of Education, China.

  7. Rare earth elements and titanium in plants, soils and groundwaters in the alkaline-ultramafic complex of Salitre, MG, Brazil

    OpenAIRE

    Ceccantini, G.; Figueiro, A.M.G.; Sondag, Francis; Soubiès, François

    1997-01-01

    The contents of Rare Earth Elements (REE) and titanium in various species of plants, in groundwaters and in soils from the ultramafic complex of Salitre, MG, Brazil, were determined. Due to the particular mineralogy of the bedrock, REE and Ti present high concentrations in the soils. The transfer factors of the REE from soil to plants were calculated, giving values ranging from 0.0001 to 0.0028, much lower than the values reported elsewhere in Brazil. Furthermore, as suggested by other author...

  8. Methodological study of the diffusion of interacting cations through clays. Application: experimental tests and simulation of coupled chemistry-diffusion transport of alkaline ions through a synthetical bentonite

    International Nuclear Information System (INIS)

    The subject of this work deals with the project of underground disposal of radioactive wastes in deep geological formations. It concerns the study of the migration of radionuclides through clays. In these materials, the main transport mechanism is assumed to be diffusion under natural conditions. Therefore, some diffusion experiments are conducted. With interacting solutes which present a strong affinity for the material, the duration of these tests will be too long, for the range of concentrations of interest. An alternative is to determine on one hand the geochemical retention properties using batch tests and crushed rock samples and, on the other hand, to deduce the transport parameters from diffusion tests realised with a non-interacting tracer, tritiated water. These data are then used to simulate the migration of the reactive elements with a numerical code which can deal with coupled chemistry-diffusion equations. The validity of this approach is tested by comparing the numerical simulations with the results of diffusion experiments of cations through a clay. The subject is investigated in the case of the diffusion of cesium, lithium and sodium through a compacted sodium bentonite. The diffusion tests are realised with the through-diffusion method. The comparison between the experimental results and the simulations shows that the latter tends to under estimate the propagation of the considered species. The differences could be attributed to surface diffusion and to a decrease of the accessibility to the sites of fixation of the bentonite, from the conditions of clay suspensions in batch tests to the situation of compacted samples. The influence of the experimental apparatus used during the diffusion tests on the results of the measurement has also been tested. It showed that these apparatus have to be taken into consideration when the experimental data are interpreted. A specific model has been therefore developed with the numerical code CASTEM 2000. (author)

  9. The long-range non-additive three-body dispersion interactions for the rare gases, alkali and alkaline-earth atoms

    CERN Document Server

    Tang, Li-Yan; Shi, Ting-Yun; Babb, James F; Mitroy, J

    2012-01-01

    The long-range non-additive three-body dispersion interaction coefficients $Z_{111}$, $Z_{112}$, $Z_{113}$, and $Z_{122}$ are computed for many atomic combinations using standard expressions. The atoms considered include hydrogen, the rare gases, the alkali atoms (up to Rb) and the alkaline-earth atoms (up to Sr). The term $Z_{111}$, arising from three mutual dipole interactions is known as the Axilrod-Teller-Muto coefficient or the DDD (dipole-dipole-dipole) coefficient. Similarly, the terms $Z_{112}$, $Z_{113}$, and $Z_{122}$ arise from the mutual combinations of dipole (1), quadrupole (2), and octupole (3) interactions between atoms and they are sometimes known, respectively, as DDQ, DDO, and DQQ coefficients. Results for the four $Z$ coefficients are given for the homonuclear trimers, for the trimers involving two like-rare-gas atoms, and for the trimers with all combinations of the H, He, Li atoms. An exhaustive compilation of all coefficients between all possible atomic combinations is presented as supp...

  10. Dipole Polarizability of Alkali-Metal (Na, K, Rb) - Alkaline-Earth-Metal (Ca,Sr) Polar molecules - Prospects of Alignment

    CERN Document Server

    Gopakumar, Geetha; Hada, Masahiko; Kajita, Masatoshi

    2014-01-01

    Electronic open-shell ground-state properties of selected alkali-metal (AM) - alkaline-earth-metal (AEM) polar molecules are investigated. We determine potential energy curves of the 2{\\Sigma}+ 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.

  11. CO{sub 2} Capture Properties of Alkaline-earth Metal Oxides and Hydroxides: A Combined Density Functional Theory and Lattice Phonon Dynamics Study

    Energy Technology Data Exchange (ETDEWEB)

    Duan, Yuhua; Sorescu, Dan

    2010-01-01

    By combining density functional theory and lattice phonon dynamics, the thermodynamic properties of CO{sub 2} absorption/desorption reactions with alkaline earth metal oxides MO and hydroxides M(OH){sub 2} (where M = Be,Mg,Ca,Sr,Ba) are analyzed. The heats of reaction and the chemical potential changes of these solids upon CO{sub 2} capture reactions have been calculated and used to evaluate the energy costs. Relative to CaO, a widely used system in practical applications, MgO and Mg(OH){sub 2} systems were found to be better candidates for CO{sub 2} sorbent applications due to their lower operating temperatures (600–700 K). In the presence of H{sub 2}O, MgCO{sub 3} can be regenerated into Mg(OH){sub 2} at low temperatures or into MgO at high temperatures. This transition temperature depends not only on the CO{sub 2} pressure but also on the H{sub 2}O pressure. Based on our calculated results and by comparing with available experimental data, we propose a general computational search methodology which can be used as a general scheme for screening a large number of solids for use as CO{sub 2} sorbents.

  12. CO2 capture properties of alkaline earth metal oxides and hydroxides: A combined density functional theory and lattice phonon dynamics study

    Energy Technology Data Exchange (ETDEWEB)

    Duan, Yuhua [National Energy Technology Lab. (NETL), Pittsburgh, PA, (United States); Sorescu, Dan C. [National Energy Technology Lab. (NETL), Pittsburgh, PA, (United States)

    2010-01-01

    By combining density functional theory and lattice phonon dynamics, the thermodynamic properties of CO2 absorption/desorption reactions with alkaline earth metal oxides MO and hydroxides M(OH)2 (where M = Be, Mg, Ca, Sr, Ba) are analyzed. The heats of reaction and the chemical potential changes of these solids upon CO2 capture reactions have been calculated and used to evaluate the energy costs. Relative to CaO, a widely used system in practical applications, MgO and Mg(OH)2 systems were found to be better candidates for CO2 sorbent applications due to their lower operating temperatures (600-700 K). In the presence of H2O, MgCO3 can be regenerated into Mg(OH)2 at low temperatures or into MgO at high temperatures. This transition temperature depends not only on the CO2 pressure but also on the H2O pressure. Based on our calculated results and by comparing with available experimental data, we propose a general computational search methodology which can be used as a general scheme for screening a large number of solids for use as CO2 sorbents.

  13. CO(2) capture properties of alkaline earth metal oxides and hydroxides: A combined density functional theory and lattice phonon dynamics study.

    Science.gov (United States)

    Duan, Yuhua; Sorescu, Dan C

    2010-08-21

    By combining density functional theory and lattice phonon dynamics, the thermodynamic properties of CO(2) absorption/desorption reactions with alkaline earth metal oxides MO and hydroxides M(OH)(2) (where M=Be,Mg,Ca,Sr,Ba) are analyzed. The heats of reaction and the chemical potential changes of these solids upon CO(2) capture reactions have been calculated and used to evaluate the energy costs. Relative to CaO, a widely used system in practical applications, MgO and Mg(OH)(2) systems were found to be better candidates for CO(2) sorbent applications due to their lower operating temperatures (600-700 K). In the presence of H(2)O, MgCO(3) can be regenerated into Mg(OH)(2) at low temperatures or into MgO at high temperatures. This transition temperature depends not only on the CO(2) pressure but also on the H(2)O pressure. Based on our calculated results and by comparing with available experimental data, we propose a general computational search methodology which can be used as a general scheme for screening a large number of solids for use as CO(2) sorbents. PMID:20726653

  14. [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.

  15. 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)

  16. 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.

  17. Ab initio properties of the ground-state polar and paramagnetic europium-alkali-metal-atom and europium-alkaline-earth-metal-atom molecules

    CERN Document Server

    Tomza, Michał

    2014-01-01

    The properties of the electronic ground state of the polar and paramagnetic europium-$S$-state-atom molecules have been investigated. Ab initio techniques have been applied to compute the potential energy curves for the europium-alkali-metal-atom, Eu$X$ ($X$=Li, Na, K, Rb, Cs), europium-alkaline-earth-metal-atom, Eu$Y$ ($Y$=Be, Mg, Ca, Sr, Ba), and europium-ytterbium, EuYb, molecules in the Born-Oppenheimer approximation for the high-spin electronic ground state. The spin restricted open-shell coupled cluster method restricted to single, double, and noniterative triple excitations, RCCSD(T), was employed and the scalar relativistic effects within the small-core energy-consistent pseudopotentials were included. The permanent electric dipole moments and static electric dipole polarizabilities were computed. The leading long-range coefficients describing the dispersion interaction between atoms at large internuclear distances $C_6$ are also reported. The EuK, EuRb, and EuCs molecules are examples of species poss...

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

    Energy Technology Data Exchange (ETDEWEB)

    Davis, Barry M.; McCaffrey, John G., E-mail: john.mccaffrey@nuim.ie [Department of Chemistry, Maynooth University, National University of Ireland—Maynooth, County Kildare (Ireland)

    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{sup 1}P←a{sup 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 (<130 cm{sup −1}). All of the M ⋅ RG diatomics have bond lengths considerably longer than those of the 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 Sr{sub 2} while this transition is quenched in Ba{sub 2}. This behaviour is consistent with the absence of vibrational structure on the dimer absorption band in Ba{sub 2} 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.

  19. Interaction of Rydberg atoms in circular states with the alkaline-earth Ca(4s{sup 2}) and Sr(5s{sup 2}) atoms

    Energy Technology Data Exchange (ETDEWEB)

    Mironchuk, E. S.; Narits, A. A.; Lebedev, V. S., E-mail: vlebedev@sci.lebedev.ru [Russian Academy of Sciences, Lebedev Physical Institute (Russian Federation)

    2015-11-15

    The resonant mechanism of interaction of alkaline-earth atoms having a low electron affinity to Rydberg atoms in circular (l = vertical bar m vertical bar = n–1) and near-circular states has been studied. To describe the dynamics of resonant processes accompanied by nonadiabatic transitions between ionic and Rydberg covalent terms of a quasimolecule, an approach based on the integration of coupled equations for the probability amplitudes has been developed taking into account the possibility of the decay of an anion in the Coulomb field of the positive ionic core of a highly excited atom. The approach involves the specific features of the problem associated with the structure of the wavefunction of a Rydberg electron in states with high orbital angular momenta l ∼ n–1. This approach provides a much more accurate description of the dynamics of electronic transitions at collisions between atoms than that within the modified semiclassical Landau–Zener model. In addition, this approach makes it possible to effectively take into account many channels of the problem. The cross sections for resonant quenching of Rydberg states of the Li(nlm) atom with given principal n, orbital l = n–1, and magnetic m quantum numbers at thermal collisions with the Ca(4s{sup 2}) and Sr(5s{sup 2}) atoms have been calculated. The dependences of the results on n, m, and angle α between the relative velocity of the atoms and the normal to the plane of the orbit of the Rydberg electron have been obtained. The influence of orientational effects on the efficiency of the collisional destruction of circular and near-circular states has been studied. The results indicate a higher stability of such states to their perturbations by neutral particles as compared to usually studied nl states with low values of l (l ≪ n)

  20. Promoting alkali and alkaline-earth metals on MgO for enhancing CO2 capture by first-principles calculations.

    Science.gov (United States)

    Kim, Kiwoong; Han, Jeong Woo; Lee, Kwang Soon; Lee, Won Bo

    2014-12-01

    Developing next-generation solid sorbents to improve the economy of pre- and post-combustion carbon capture processes has been challenging for many researchers. Magnesium oxide (MgO) is a promising sorbent because of its moderate sorption-desorption temperature and low heat of sorption. However, its low sorption capacity and thermal instability need to be improved. Various metal-promoted MgO sorbents have been experimentally developed to enhance the CO2 sorption capacities. Nevertheless, rigorous computational studies to screen an optimal metal promoter have been limited to date. We conducted first-principles calculations to select metal promoters of MgO sorbents. Five alkali (Li-, Na-, K-, Rb-, and Cs-) and 4 alkaline earth metals (Be-, Ca-, Sr-, and Ba-) were chosen as a set of promoters. Compared with the CO2 adsorption energy on pure MgO, the adsorption energy on the metal-promoted MgO sorbents is higher, except for the Na-promoter, which indicates that metal promotion on MgO is an efficient approach to enhance the sorption capacities. Based on the stabilized binding of promoters on the MgO surface and the regenerability of sorbents, Li, Ca, and Sr were identified as adequate promoters among the 9 metals on the basis of PW91/GGA augmented with DFT+D2. The adsorption energies of CO2 on metal-promoted MgO sorbents for Li, Ca, and Sr atoms are -1.13, -1.68, and -1.48 eV, respectively. PMID:25319405

  1. Alkaline Earth Metal Zirconate Perovskites MZrO3 (M=Ba(2+), Sr(2+), Ca(2+)) Derived from Molecular Precursors and Doped with Eu(3+) Ions.

    Science.gov (United States)

    Drąg-Jarząbek, Anna; John, Łukasz; Petrus, Rafał; Kosińska-Klähn, Magdalena; Sobota, Piotr

    2016-03-24

    The effect of alkaline earth metal alkoxides on the protonation of zirconocene dichloride was investigated. This approach enabled the design of compounds with preset molecular structures for generating high-purity binary metal oxide perovskites MZrO3 (M=Ba(2+), Sr(2+), Ca(2+)). Single-source molecular precursors [Ba4 Zr2 (μ6 -O)(μ3 ,η(2)-OR)8 (OR)2(η(2) -HOR)2 (HOR)2 Cl4], [Sr4 Zr2 (μ6 -O)(μ3 ,η(2)-OR)8 (OR)2 (HOR)4 Cl4], [Ca4 Zr2 (μ6-O)(μ3 ,η(2)-OR)8 (OR)2 Cl4], and [Ca6 Zr2 (μ2 ,η(2)-OR)12 (μ-Cl)2 (η(2) -HOR)4 Cl6 ]⋅8 CH2 Cl2 were prepared via elimination of the cyclopentadienyl ring from Cp2 ZrCl2 as CpH in the presence of M(OR)2 and alcohol ROH (ROH=CH3OCH2 CH2OH) as a source of protons. The resulting complexes were characterized by elemental analysis, IR and NMR spectroscopy, and single-crystal X-ray diffraction. The compounds were then thermally decomposed to MCl2 /MZrO3 mixtures. Leaching of MCl2 from the raw powder with deionized water produced highly pure perovskite-like oxide particles of 40-80 nm in size. Luminescence studies on Eu(3+)-doped MZrO3 revealed that the perovskites are attractive host lattices for potential applications in display technology. PMID:26891039

  2. Electromigration in molten salts and application to isotopic separation of alkaline and alkaline-earth elements; Electromigration en sels fondus et application a la separation des isotopes des elements alcalins et alcalino-terreux

    Energy Technology Data Exchange (ETDEWEB)

    Menes, F. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1969-07-01

    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{sub 2} - (CaBr{sub 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 {sup 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{sub 2} - CeBr{sub 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) [French] On a etudie la separation des isotopes des elements alcalino-terreux par electromigration a contre-courant en bromures fondus. On a etudie les conditions dans lesquelles la cathode fonctionne en electrode a brome pour des intensites les plus elevees possibles. Pour la separation du calcium, il a ete necessaire d'utiliser une chaine stable CaBr{sub 2} - (CaBr{sub 2} + KBr). Pour le baryum et le strontium, on a pu operer sur les bromures purs. On a obtenu des facteurs d

  3. 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. PMID:27355970

  4. Characterization and activity of alkaline earth metals loaded CeO{sub 2}–MO{sub x} (M = Mn, Fe) mixed oxides in catalytic reduction of NO

    Energy Technology Data Exchange (ETDEWEB)

    Mousavi, Seyed Mahdi [Department of Applied Chemistry and Chemical Engineering, Faculty of Chemistry, University of Tabriz, 5166616471 Tabriz (Iran, Islamic Republic of); Niaei, Aligholi, E-mail: niaei@yahoo.com [Department of Applied Chemistry and Chemical Engineering, Faculty of Chemistry, University of Tabriz, 5166616471 Tabriz (Iran, Islamic Republic of); Illán Gómez, María José [Carbon Materials and Environment Research Group, Department of Inorganic Chemistry, Faculty of Science, Universidad de Alicante, Alicante (Spain); Salari, Dariush; Nakhostin Panahi, Parvaneh [Department of Applied Chemistry and Chemical Engineering, Faculty of Chemistry, University of Tabriz, 5166616471 Tabriz (Iran, Islamic Republic of); Abaladejo-Fuentes, Vicente [Carbon Materials and Environment Research Group, Department of Inorganic Chemistry, Faculty of Science, Universidad de Alicante, Alicante (Spain)

    2014-02-14

    Nanocrystalline CeO{sub 2}–MO{sub x} mixed oxides (M = Mn, Fe) with different M/(M + Ce) molar ratio are prepared by sol–gel combustion method. X-Ray Diffraction (XRD), Transmission Electron Microscopy (TEM), Temperature Programmed Reduction with H{sub 2} (H{sub 2}-TPR) and N{sub 2}-adsorption (BET) analyses are conducted to characterize the physical–chemical properties of the catalysts. The activity of catalysts for reduction of NOx with ammonia has been evaluated. The CeO{sub 2}–MnO{sub x} catalysts showed better low temperature activity than CeO{sub 2}–FeO{sub x}. The superior activity of CeO{sub 2}–MnO{sub x} with Mn/(Mn + Ce) molar ratio of 0.25 respect to other catalysts (with 83% NO conversion and 68% N{sub 2} yield at 200 °C) is associated to nanocrystalline structure, reducibility at low temperature and synergistic effect between Ce and Mn that are observed by XRD, TEM and H{sub 2}-TPR. The CeO{sub 2}–FeO{sub x} catalysts were found to be active at high temperature, being Ce–Fe the best catalyst yielded 82% NO conversion at 300 °C. The effect of alkaline earth metals (Ca, Mg, Sr and Ba) loading on the structure and catalytic activity of cerium mixed oxides are also investigated. Loading of Ba enhanced the NO reduction activity of mixed oxides due to the increase of number of basic sites. Highest performance with 91% NO conversion and 80% N{sub 2} yield attained over CeO{sub 2}–MnO{sub x} (0.25)-Ba (7%) catalyst at 200 °C. - Highlights: • CeO{sub 2}–MO{sub x} mixed oxides (M = Mn, Fe) were synthesized by sol–gel combustion method. • The activity of mixed oxides is evaluated in catalytic reduction of NO with NH{sub 3}. • The CeO{sub 2}–MnO{sub x} showed better activity than CeO{sub 2}–FeO{sub x} due to better redox properties. • Ba loading enhanced the activity due to the increase of number of basic sites. • 91% NO conversion and 80% N{sub 2} yield attained over 7%Ba–Ce{sub 0.75}Mn{sub 0.25}O{sub 2} at 200 °C.

  5. 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.

  6. Alkaline quinone flow battery.

    Science.gov (United States)

    Lin, Kaixiang; Chen, Qing; Gerhardt, Michael R; Tong, Liuchuan; Kim, Sang Bok; Eisenach, Louise; Valle, Alvaro W; Hardee, David; Gordon, Roy G; Aziz, Michael J; Marshak, Michael P

    2015-09-25

    Storage of photovoltaic and wind electricity in batteries could solve the mismatch problem between the intermittent supply of these renewable resources and variable demand. Flow batteries permit more economical long-duration discharge than solid-electrode batteries by using liquid electrolytes stored outside of the battery. We report an alkaline flow battery based on redox-active organic molecules that are composed entirely of Earth-abundant elements and are nontoxic, nonflammable, and safe for use in residential and commercial environments. The battery operates efficiently with high power density near room temperature. These results demonstrate the stability and performance of redox-active organic molecules in alkaline flow batteries, potentially enabling cost-effective stationary storage of renewable energy. PMID:26404834

  7. 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)

  8. Preparation of poly(glycidylmethacrylate-divinylbenzene) weak acid cation exchange stationary phases with succinic anhydride, phthalic anhydride, and maleic anhydride for ion chromatography.

    Science.gov (United States)

    Liu, Junwei; Wang, Yong; Wu, Shuchao; Zhang, Peimin; Zhu, Yan

    2016-08-01

    In this work, poly(glycidylmethacrylate-divinylbenzene) microspheres were prepared and applied for the preparation of weak acid cation exchange stationary phases. Succinic anhydride, phthalic anhydride, and maleic anhydride were selected as carboxylation reagents to prepare three weak acid cation exchangers by direct chemical derivatization reaction without solvent or catalyst. The diameters and dispersity of the microspheres were characterized by scanning electron microscopy; the amount of accessible epoxy groups and mechanical stability were also measured. The weak acid cation exchangers were characterized by Fourier transform infrared spectroscopy; the content of carboxyl groups was measured by traditional acid base titration method. The chromatographic properties were characterized and compared by separating alkali, alkaline earth metal ions and ammonium and polar amines. The separation properties enhanced in the order of succinic anhydride, phthalic anhydride, and maleic anhydride modified poly(glycidylmethacrylate-divinylbenzene) cation exchangers. PMID:27288092

  9. Thermal stability and oxidizing properties of mixed alkaline earth-alkali molten carbonates: A focus on the lithium-sodium carbonate eutectic system with magnesium additions

    International Nuclear Information System (INIS)

    Highlights: • TG/DSC analysis was conducted on magnesium-containing eutectic Li/Na eutectic carbonates. • Magnesium influence on the oxygen solubility properties of carbonate was also experimentally determined at 600 °C and 650 °C. • A reproducible partial decarbonation process in premelting region caused formation of magnesium oxycarbonate-like phases. • The acidobase buffering action of magnesium oxycarbonate species could explain the high basic/oxidizing properties of such carbonate melts. • A general correlation between thermal instability in premelting region and basic/oxidizing melt properties was established. - Abstract: A comparative study on thermal behavior and oxygen solubility properties of eutectic 52/48 lithium/sodium carbonate salt containing minor additions of magnesium up to 10 mol% has been made in order to determine whether a general correlation between these two properties can be found or not. Consecutive TG/DSC heating/cooling thermal cycles carried out under alternating CO2 and N2 gas flows allowed to assign thermal events observed in the premelting region to a partial decarbonation process of the magnesium-alkali mixed carbonates. The observed decarbonation process at 460 °C is believed to come from initial stage of thermal decomposition of magnesium carbonate resulting in the metastable formation of magnesium oxycarbonate-like phases MgO·2MgCO3, in a similar manner as previously reported for lanthanum. Reversible formation and decomposition of the magnesium carbonate phase has been observed under a CO2 gas atmosphere. The intensity of the decomposition process shows a maximum for a 3 mol% MgO addition that gives also the highest oxygen solubility, suggesting therefore that instability thermal analysis in the premelting region can be considered as providing an effective measure of the basicity/oxidizing properties of alkali carbonate melts with magnesium or, in more general terms, with cations that are strong modifiers of the

  10. The influence of organic structure and rare earth metal cation on the corrosion efficiency observed on AS1020 steel compared with La(4OHCin3

    Directory of Open Access Journals (Sweden)

    Marianne Seter

    2015-01-01

    Full Text Available Whilst the corrosion protection of steel in aqueous chloride environments by the rare earth inhibitor lanthanum 4-hydroxycinnamate is well known, the influence of the structural variation of the organic component as well as the nature of the metal centre has not previously been addressed. Herein we show that praseodymium 4-hydroxy cinnamate is comparable to its lanthanum counterpart in aqueous solution. On the other hand, cerium 4-hydroxycinnamate and lanthanum 2-hydroxycinnamate show poor corrosion protection performance while lanthanum 3-hydroxycinnamate provides a level of inhibition between these. These differences are shown to be related to the speciation in solution and are postulated to be linked to steric influences which are likely to affect the bonding environment within the rare earth compound itself, as well as its bonding with the steel substrate.

  11. Liquid-solid extraction of cationic metals by cationic amphiphiles

    International Nuclear Information System (INIS)

    In the field of selective separation for recycling of spent nuclear fuel, liquid-liquid extraction processes are widely used (PUREX, DIAMEX..) in industrial scale. In order to guarantee a sustainable nuclear energy for the forthcoming generations, alternative reprocessing techniques are under development. One of them bases on the studies from Heckmann et al in the 80's and consists in selectively precipitating actinides from aqueous waste solutions by cationic surfactants (liquid-solid extraction). This technique has some interesting advantages over liquid-liquid extraction techniques, because several steps are omitted like stripping or solvent washing. Moreover, the amount of waste is decreased considerably, since no contaminated organic solvent is produced. In this thesis, we have carried out a physico-chemical study to understand the specific interactions between the metallic cations with the cationic surfactant. First, we have analysed the specific effect of the different counter-ions (Cl-, NO3-, C2O42-) and then the effect of alkaline cations on the structural properties of the surfactant aggregation in varying thermodynamical conditions. Finally, different multivalent cations (Cu2+, Zn2+, UO22+, Fe3+, Nd3+, Eu3+, Th4+) were considered; we have concluded that depending on the anionic complex of these metals formed in acidic media, we can observe either an adsorption at the micellar interface or not. This adsorption has a large influence of the surfactant aggregation properties and determines the limits of the application in term of ionic strength, temperature and surfactant concentration. (author)

  12. Thermal stability and oxidizing properties of mixed alkaline earth-alkali molten carbonates: A focus on the lithium-sodium carbonate eutectic system with magnesium additions

    Energy Technology Data Exchange (ETDEWEB)

    Frangini, Stefano, E-mail: stefano.frangini@enea.it [Hydrogen and Fuel Cell Laboratory (UTRINN-IFC), ENEA CR Casaccia, Via Anguillarese 301, I-00123 Rome (Italy); Scaccia, Silvera [Sustainable Combustion Laboratory (UTTEI-COMSO), ENEA CR Casaccia, Via Anguillarese 301, I-00123 Rome (Italy)

    2013-12-20

    Highlights: • TG/DSC analysis was conducted on magnesium-containing eutectic Li/Na eutectic carbonates. • Magnesium influence on the oxygen solubility properties of carbonate was also experimentally determined at 600 °C and 650 °C. • A reproducible partial decarbonation process in premelting region caused formation of magnesium oxycarbonate-like phases. • The acidobase buffering action of magnesium oxycarbonate species could explain the high basic/oxidizing properties of such carbonate melts. • A general correlation between thermal instability in premelting region and basic/oxidizing melt properties was established. - Abstract: A comparative study on thermal behavior and oxygen solubility properties of eutectic 52/48 lithium/sodium carbonate salt containing minor additions of magnesium up to 10 mol% has been made in order to determine whether a general correlation between these two properties can be found or not. Consecutive TG/DSC heating/cooling thermal cycles carried out under alternating CO{sub 2} and N{sub 2} gas flows allowed to assign thermal events observed in the premelting region to a partial decarbonation process of the magnesium-alkali mixed carbonates. The observed decarbonation process at 460 °C is believed to come from initial stage of thermal decomposition of magnesium carbonate resulting in the metastable formation of magnesium oxycarbonate-like phases MgO·2MgCO{sub 3}, in a similar manner as previously reported for lanthanum. Reversible formation and decomposition of the magnesium carbonate phase has been observed under a CO{sub 2} gas atmosphere. The intensity of the decomposition process shows a maximum for a 3 mol% MgO addition that gives also the highest oxygen solubility, suggesting therefore that instability thermal analysis in the premelting region can be considered as providing an effective measure of the basicity/oxidizing properties of alkali carbonate melts with magnesium or, in more general terms, with cations that are

  13. Ion transport in alkaline and earth alkaline hydrogen fluorides

    NARCIS (Netherlands)

    Kroger, C; Niggemeier, H; Wiemhofer, HD; Glumov, O; Murin, [No Value

    2002-01-01

    The impedance of the hydrogen fluorides KHF2, NH4HF2 and BaHF3 was investigated as a function of temperature and in the presence of HF and H2O. A comparison of results on different electrode materials. (graphite, silver, palladium, Sn \\ SnF2, and Sn \\ SnF2 \\ LaF3) was used to elucidate the contribut

  14. Effect of high-energy electron irradiation in an electron microscope column on fluorides of alkaline earth elements (CaF2, SrF2, and BaF2)

    International Nuclear Information System (INIS)

    The effect of high-energy (150 eV) electron irradiation in an electron microscope column on crystals of fluorides of alkaline earth elements CaF2, SrF2, and BaF2 is studied. During structural investigations by electron diffraction and electron microscopy, the electron irradiation causes chemical changes in MF2 crystals such as the desorption of fluorine and the accumulation of oxygen in the irradiated area with the formation of oxide MO. The fluorine desorption rate increases significantly when the electron-beam density exceeds the threshold value of ∼2 × 103 pA/cm2). In BaF2 samples, the transformation of BaO into Ba(OH)2 was observed when irradiation stopped. The renewal of irradiation is accompanied by the inverse transformation of Ba(OH)2 into BaO. In the initial stage of irradiation of all MF2 compounds, the oxide phase is in the single-crystal state with a lattice highly matched with the MF2 matrix. When the irradiation dose is increased, the oxide phase passes to the polycrystalline phase. Gaseous products of MF2 destruction (in the form of bubbles several nanometers in diameter) form a rectangular array with a period of ∼20 nm in the sample.

  15. [Treatment of chronic inflammation of the upper respiratory airways by inhalation thermal therapy with sulfur-sulfate-bicarbonate- carbonate-alkaline earth mineral water: a study of nasal cytology].

    Science.gov (United States)

    Cristalli, G; Abramo, A; Pollastrini, L

    1996-12-01

    The purpose of the paper is to better characterise changes occurred in nose cytology in a group of 50 subjects affected by chronic inflammation of upper respiratory airway. The patients were random shared in two groups: group A 40 subjects treated using sulphurous thermal water and a group B (control), 10 cases, treated using placebo saline solution. The post-therapy evaluation of nasal cytology showed an improvement of the chronic inflammation in 65% of group A patients (diminution of bacterial dust 65%, diminution of PMN cells in 60% of cases and disappearance of metaplasy notes in all the cases of group A. No statistical modifications were observed in control group. Moreover were observed a increase of plasma-cell number much more in group A. The author conclusion is that a period of thermal therapy using sulphur-sulphate-alkaline-earth metals water in chronic inflammation of the nose, throw pharmacological and physical actions, cause an improvement of the chronic inflammation and a normalisation of nose cytology. PMID:9381939

  16. 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).

  17. Alkaline sorbent injection for mercury control

    Science.gov (United States)

    Madden, Deborah A.; Holmes, Michael J.

    2003-01-01

    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.

  18. Influence of alkali and alkaline earth ions on the -alkylation of the lower rim phenolic-OH groups of -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 -tert-butylcalix[4]arene anion

    Indian Academy of Sciences (India)

    Amjad Ali; Chebrolu P Rao; Philippe Guionneau

    2008-03-01

    Role of alkali and alkaline earth ions on the formation of calix[4]arene-amide derivatives through -alkylation of the lower rim phenolic-OH groups in general and template action of K+ in particular have been explored. Na+ and K+ ions among alkali, and Ca2+ and Sr2+ ions among alkaline earth have shown tetra-amide derivatives bound to metal ion species. Among all these, potassium salts act as template and yields a K+ bound tetra-amide derivative where the charge is counter balanced by a calix[4] arene-monoanion and the product is crystallographically characterized. Change in the amide precursor used in these -alkylation reactions has no effect on the type of the amide derivative formed. Also demonstrated is a direct one-step reaction for the preparation of 1,3-di-amide derivative in high yield and low reaction period using CsHCO3.

  19. Synthesis and chemical modification of polymeric resins for the treatment of cations and aromatic hydrocarbons in produced oily water; Sintese de modificacao quimica de resina polimerica e aplicacao na remocao de cations e hidrocarbonetos aromaticos presentes em agua produzida

    Energy Technology Data Exchange (ETDEWEB)

    Aversa, Thiago M.; Rodrigues, Monique F.; Vieira, Helida V.P.; Queiros, Yure G.C.; Lucas, Elizabete F. [Universidade Federal do Rio de Janeiro, Instituto de Macromoleculas, Lab. de Macromoleculas e Coloides na Industria do Petroleo, Rio de Janeiro, RJ (Brazil)], e-mail: thiagoaversa@ima.ufrj.br

    2011-07-01

    The use of chemically modified resins in oily water treatment process is not very developed yet. Because of this, this work suggests to study the styrene and divinylbenzene sulfonation effect on oil and grease, aniline and calcium removal from the water. The aniline, oils and greases belong to a class of toxic organic compounds, with the Brazilian maximum limits established for disposal in CONAMA 393/2007, while the calcium ions belong to the group of cations of alkaline earth metals which improve hardness to the water, may cause fouling as carbonates and sulfates form. By using sulfonated resins in oily water treatment it is possible to remove not only oils and greases but also calcium and aniline. These kinds of polar compounds are removed because of the cation exchange capacity of resin. (author)

  20. Structural and crystallisation study of a rare earth alumino borosilicate glass designed for nuclear waste confinement; Etude de la structure et du comportement en cristallisation d'un verre nucleaire d'aluminoborosilicate de terre rare

    Energy Technology Data Exchange (ETDEWEB)

    Quintas, A

    2007-09-15

    This work is devoted to the study of a rare earth alumino borosilicate glass, which molar composition is 61,81 SiO{sub 2} - 3,05 Al{sub 2}O{sub 3} - 8,94 B{sub 2}O{sub 3} - 14,41 Na{sub 2}O - 6,33 CaO - 1,90 ZrO{sub 2} - 3,56 Nd{sub 2}O{sub 3}, and envisaged for the immobilization of nuclear wastes originating from the reprocessing of high discharge burn up spent fuel. From a structural viewpoint, we investigated the role of the modifier cations on the arrangement of the glass network through different modifications of the glass composition: variation of the Na/Ca ratio and modification of the nature of the alkali and alkaline earth cations. The NMR and Raman spectroscopic techniques were useful to determine the distribution of modifier cations among the glass network and also to cast light on the competition phenomena occurring between alkali and alkaline earth cations for charge compensation of [AlO{sub 4}]{sup -} and [BO{sub 4}]{sup -} species. The neodymium local environment could be probed by optical absorption and EXAFS spectroscopies which enabled to better understand the insertion mode of Nd{sup 3+} ions among the silicate domains of the glass network. Concerning the crystallization behavior we were interested in how the glass composition may influence the crystallization processes and especially the formation of the apatite phase of composition Ca{sub 2}Nd{sub 8}(SiO{sub 4}){sub 6}O{sub 2}. In particular, this work underlined the important role of both alkaline earth and rare earth cations on the crystallization of the apatite phase. (author)

  1. ALP (Alkaline Phosphatase) Test

    Science.gov (United States)

    ... Also known as: ALK PHOS; Alkp Formal name: Alkaline Phosphatase Related tests: AST ; ALT ; GGT ; Bilirubin ; Liver Panel ; Bone Markers ; Alkaline Phosphatase Isoenzymes; Bone Specific ALP All content on ...

  2. Positron elastic scattering from alkaline earth targets

    Science.gov (United States)

    Poveda, Luis A.; Assafrão, Denise; Mohallem, José R.

    2016-07-01

    A previously reported model potential approach [Poveda et al., Phys. Rev. A 87, 052702 (2013)] was extended to study low energy positron elastic scattering from beryllium and magnesium. The cross sections were computed for energies ranging from 10-5 eV up to well above the positronium formation threshold. The present results are in good agreement with previous reports, including the prediction of a p-wave resonance in the cross section for magnesium. The emergence of this shape resonance is connected to a trend observed in the evolution of the partial wave cross section in going from Be to Mg target. This trend lead us to speculate that a sharp d-wave resonance should be observed in positron elastic scattering from calcium. The positron-target binding energies are investigated in detail, both using the scattering information and by direct computation of the bound state energies using the model potentials. Contribution to the Topical Issue "Advances in Positron and Electron Scattering", edited by Paulo Limao-Vieira, Gustavo Garcia, E. Krishnakumar, James Sullivan, Hajime Tanuma and Zoran Petrovic.Supplementary material in the form of one pdf file available from the Journal web page at http://dx.doi.org/10.1140/epjd/e2016-70120-y

  3. Alkaline earth stannates: The next silicon?

    International Nuclear Information System (INIS)

    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

  4. 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.

  5. Alkaline earth stannates: The next silicon?

    OpenAIRE

    Sohrab Ismail-Beigi; Walker, Frederick J.; Sang-Wook Cheong; Rabe, Karin M.; Ahn, Charles H.

    2015-01-01

    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 con...

  6. 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

    2012-03-01

    Full Text Available For reconstructing environmental change in terrestrial realms the geochemistry of fossil bioapatite in bones and teeth is among the most promising applications. This study demonstrates that alkaline earth elements in enamel of Hippopotamids, in particular Ba and Sr are tracers for water provenance and hydrochemistry. The studied specimens are molar teeth from Hippopotamids found in modern and fossil lacustrine settings 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 ca. two orders of magnitude for Ba (120–9336 μg g−1 as well as for Sr (9–2150 μg g−1. Concentration variations in enamel are partly induced during post-mortem alteration and during amelogenesis, but the major contribution originates from the variable water chemistry in the habitats of the Hippopotamids which is dominated by the lithologies and weathering processes in the watershed areas. Amelogenesis causes a distinct distribution of 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 1.3–1.5. These elements are well correlated with MgO and Na2O in single specimens, thus suggesting that their distribution is determined by a common, single process. Presuming that the shape of the tooth is established at the end of the secretion process and apatite composition is in equilibrium with the enamel fluid, the maturation process can be modeled by closed system Rayleigh crystallization. Enamel from many Hippopotamid specimens has Sr/Ca and Ba/Ca which are typical for herbivores, but the compositions extend well into the levels of plants and carnivores. Within enamel from single specimens these element ratios covary and provide a specific fingerprint of the Hippopotamid habitat. All specimens together, however, define subparallel

  7. Methodological study of the diffusion of interacting cations through clays. Application: experimental tests and simulation of coupled chemistry-diffusion transport of alkaline ions through a synthetical bentonite; Etude methodologique de la diffusion de cations interagissants dans les argiles. Application: mise en oeuvre experimentale et modelisation du couplage chimie-diffusion d'alcalins dans une bentonite synthetique

    Energy Technology Data Exchange (ETDEWEB)

    Melkior, Th

    2000-07-01

    The subject of this work deals with the project of underground disposal of radioactive wastes in deep geological formations. It concerns the study of the migration of radionuclides through clays. In these materials, the main transport mechanism is assumed to be diffusion under natural conditions. Therefore, some diffusion experiments are conducted. With interacting solutes which present a strong affinity for the material, the duration of these tests will be too long, for the range of concentrations of interest. An alternative is to determine on one hand the geochemical retention properties using batch tests and crushed rock samples and, on the other hand, to deduce the transport parameters from diffusion tests realised with a non-interacting tracer, tritiated water. These data are then used to simulate the migration of the reactive elements with a numerical code which can deal with coupled chemistry-diffusion equations. The validity of this approach is tested by comparing the numerical simulations with the results of diffusion experiments of cations through a clay. The subject is investigated in the case of the diffusion of cesium, lithium and sodium through a compacted sodium bentonite. The diffusion tests are realised with the through-diffusion method. The comparison between the experimental results and the simulations shows that the latter tends to under estimate the propagation of the considered species. The differences could be attributed to surface diffusion and to a decrease of the accessibility to the sites of fixation of the bentonite, from the conditions of clay suspensions in batch tests to the situation of compacted samples. The influence of the experimental apparatus used during the diffusion tests on the results of the measurement has also been tested. It showed that these apparatus have to be taken into consideration when the experimental data are interpreted. A specific model has been therefore developed with the numerical code CASTEM 2000. (author)

  8. 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.

  9. 中温商业SCR催化剂碱和碱土中毒特性研究%Study on alkali and alkaline earths poisoning characteristics for a commercial SCR catalyst

    Institute of Scientific and Technical Information of China (English)

    沈伯雄; 卢凤菊; 高兰君; 岳时吉

    2016-01-01

    The poisoning of a commercial selective catalytic reduction ( SCR ) catalysts by alkali ( K ) and alkaline earths ( Ca) has been simulated in the laboratory. The techniques of N2 adsorption, scanning electronic microscopy, X-ray photoelectron spectroscopy, NH3-temperature program desorption, H2-temperature program reduction were used to identify the changes of physical chemical characteristics of the catalysts before and after the simulated poisoning. The results indicated that the poisoning of K and Ca did not damage the basic pore structure of the SCR catalyst, but decreased the BET surface area and pore volume. The poisoning by K and Ca changed the chemical valence state of V and decreased the reducibility of V. The poisoning by K and Ca decreased the amount of chemically adsorbed oxygen on the catalyst surface as well as acidity of the catalysts. The poisoning by K and Ca lowered the SCR activity of the catalysts and the poisoning by Ca was more serious than K.%在实验室条件下对选择性催化还原( SCR)商业催化剂的碱( K)和碱土( Ca)中毒进行了模拟,并采用液氮吸附、扫描电镜、能谱分析、NH3-程序升温脱附、H2-程序升温还原等方法对催化剂中毒前后的物理化学性质变化进行了表征。结果表明, K和Ca的中毒没有破坏商业中温SCR催化剂孔的基本结构,但K和Ca的中毒使催化剂的比表面积和孔容减小。 K和Ca的中毒在一定程度上改变了催化剂表面钒的价态,导致了钒的还原能力减弱,同时降低催化剂表面化学吸附氧。钾中毒和钙中毒使催化剂的表面酸量降低。钾和钙中毒造成中温SCR催化剂的脱硝活性降低,并且Ca中毒造成的催化剂活性降低要明显高于K中毒。

  10. 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

  11. Alkaline ionic liquids applied in supported ionic liquid catalyst for selective hydrogenation of citral to citronellal

    OpenAIRE

    EeroSalminen; Jyri-PekkaTuomoMikkola

    2014-01-01

    The challenge in preparation of ionic liquids containing a strong alkaline anion is to identify a suitable cation which can tolerate the harsh conditions induced by the anion. In this study, a commercial quaternary ammonium compound (quat) benzalkonium [ADBA] (alkyldimethylbenzylammonium) was used as a cation in the synthesis of different alkaline ionic liquids. In fact, the precursor, benzalkonium chloride, is a mixture of alkyldimethylbenzylammonium chlorides of various alkyl chain lengths ...

  12. Specific ion effects on the properties of cationic Gemini surfactant monolayers

    Energy Technology Data Exchange (ETDEWEB)

    Alejo, T.; Merchan, M.D.; Velazquez, M.M., E-mail: mvsal@usal.es

    2011-06-01

    The effects of some anions of the Hofmeister series and different divalent cations of alkaline earth metals on the properties of Langmuir monolayers of the cationic Gemini surfactant ethyl-bis (dimethyl octadecylammonium bromide) have been investigated. Surface pressure and potential isotherms at the air-water interface were obtained on aqueous subphases containing sodium salts with several anions of the Hofmeister series (Cl{sup -}, NO{sub 3}{sup -}, Br{sup -}, I{sup -}, ClO{sub 4}{sup -}, and SCN{sup -}). The influence of the investigated anions on the monolayer properties can be ordered according to the Hofmeister series with a change in the order between bromide and nitrate anions. On the other hand, for a given anion, the cation of the salt also influences the surface properties of the Langmuir films. The monolayers can be transferred onto mica by the Langmuir-Blodgett technique and then the Langmuir-Blodgett films were characterized by atomic force microscopy (AFM). The AFM images show that the molecules become more closely packed and nearly vertical to the surface when anions screen the electric charge of the surfactant molecules.

  13. Gradient Elution Method for Successive Separation of Common Cations and Hydrophobic Amines using Suppressed Ion Chromatography

    International Nuclear Information System (INIS)

    In mixed waste the separation and sequential determination of alkali, alkaline earth metals mixed with hydrophobic amines represent a challenge analytical problem. The effect of a new mobile phase (amido-sulfonic acid, ASA) on the suppressed ion chromatographic separation of alkali, alkaline earth metals and hydrophobic amines on Dionex Ion Pac CS12A analytical column was investigated. The addition of surface modifier to the eluent appears to provide better interfacial compatibility between the mobile and stationary phase and facilitates the rapid equilibration of analytes. Incorporation of a very low concentration of the additive may also alters the stationary phase surface by creating a fine-tuning and improves the partition characteristics of the analytes. A dramatic and sufficient elution capability of ASA for sequential separation of the analytes was found and rational mechanisms for the separated analytes are proposed. ASA can act as ion-pairing agent resulting in the separation of a wide variety of amines. The new mobile phase (ASA) is proved to have more successful separation over methanesulfonic acid (MSA) even with eluent free solvent. The proposed method shows that a profound particular effect on the separation of aliphatic diamine (ethylenediamine) and organic amine (cyclohexylamine) was achieved in addition to all common cations and amines using isocratic elution of 18 mM of ASA without organic eluent modifier

  14. High stability of electro-transport and magnetism against the A-site cation disorder in SrRuO3.

    Science.gov (United States)

    Wang, Y L; Liu, M F; Liu, R; Xie, Y L; Li, X; Yan, Z B; Liu, J-M

    2016-06-14

    It is known that the electro-transport and magnetism of perovskite alkaline-earth ruthenate oxides are sensitive to the lattice distortion associated with the A-site cation size. Orthorhombic CaRuO3 and cubic BaRuO3 exhibit distinctly different electro-transport and magnetic properties from orthorhombic SrRuO3. It has been suggested that SrRuO3 can be robust against some intrinsic/external perturbations but fragile against some others in terms of electro-transport and magnetism, and it is our motivation to explore such stability against the local site cation disorder. In this work, we prepare a set of SrRuO3-based samples with identical averaged A-site size but different A-site cation disorder (size mismatch) by Ca and Ba co-substitution of Sr. It is revealed that the electro-transport and magnetism of SrRuO3 demonstrate relatively high stability against this A-site cation disorder, characterized by the relatively invariable electrical and magnetic properties in comparison with those of SrRuO3 itself. A simple electro-transport network model is proposed to explain quantitatively the measured behaviors. The present work suggests that SrRuO3 as an itinerant electron ferromagnetic metal possesses relatively high robustness against local lattice distortion and cation occupation disorder.

  15. High stability of electro-transport and magnetism against the A-site cation disorder in SrRuO3

    Science.gov (United States)

    Wang, Y. L.; Liu, M. F.; Liu, R.; Xie, Y. L.; Li, X.; Yan, Z. B.; Liu, J.-M.

    2016-06-01

    It is known that the electro-transport and magnetism of perovskite alkaline-earth ruthenate oxides are sensitive to the lattice distortion associated with the A-site cation size. Orthorhombic CaRuO3 and cubic BaRuO3 exhibit distinctly different electro-transport and magnetic properties from orthorhombic SrRuO3. It has been suggested that SrRuO3 can be robust against some intrinsic/external perturbations but fragile against some others in terms of electro-transport and magnetism, and it is our motivation to explore such stability against the local site cation disorder. In this work, we prepare a set of SrRuO3-based samples with identical averaged A-site size but different A-site cation disorder (size mismatch) by Ca and Ba co-substitution of Sr. It is revealed that the electro-transport and magnetism of SrRuO3 demonstrate relatively high stability against this A-site cation disorder, characterized by the relatively invariable electrical and magnetic properties in comparison with those of SrRuO3 itself. A simple electro-transport network model is proposed to explain quantitatively the measured behaviors. The present work suggests that SrRuO3 as an itinerant electron ferromagnetic metal possesses relatively high robustness against local lattice distortion and cation occupation disorder.

  16. Porous poly(perfluorosulfonic acid) membranes for alkaline water electrolysis

    DEFF Research Database (Denmark)

    Aili, David; Hansen, Martin Kalmar; Andreasen, Jens Wenzel;

    2015-01-01

    Poly(perfluorosulfonic acid) (PFSA) is one of a few polymer types that combine excellent alkali resistance with extreme hydrophilicity. It is therefore of interest as a base material in separators for alkaline water electrolyzers. In the pristine form it, however, shows high cation selectivity. T...

  17. Anodes for alkaline electrolysis

    Science.gov (United States)

    Soloveichik, Grigorii Lev

    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.

  18. 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 recyclability is…

  19. Inlfuence of Mixed Alkali-Alkaline Earth Effect on Alkali Resistance of Medium Temperature Fritted Glaze%混合碱/碱土金属效应对中温熔块釉耐碱性的影响

    Institute of Scientific and Technical Information of China (English)

    秦立邦; 卢希龙; 曹春娥; 陈云霞; 沈华荣; 黄钢

    2014-01-01

    In order to improve the alkali resistance of medium temperature fritted glaze, a large number of experiments were carried out to get a better base fritted glaze. Then, inlfuence of mixed alkali metal effect and mixed alkaline earth metal effect on alkali resistance of the glaze was studied. Results show that mixed alkali effect existed in two alkali metal oxides-Li2O and Na2O. When the Li+/Na+molar ratio was equal to 1, the frit had the best alkali resistance. Calcium oxide had obvious suppression effect on alkali metal oxides. When the CaO/(Li2O+Na2O) molar ratio was equal to 1.22, the frit had the best alkali resistance. For binary mixed alkali metal oxides, when both the molar ratios of CaO/BaO and CaO/MgO were equal to 8.2, the frit had the best alkali resistance, but BaO worked better than MgO. For ternary mixed alkali metal oxides, when the molar ratio of CaO:MgO:BaO was equal to 14:3.3:1, both the frit and fritted glaze had the best alkali resistance.%为了提高中温熔块釉的耐碱性,通过大量实验得到较好的基础熔块釉组成,在此基础上,探讨混合碱金属效应、混合碱土金属效应对熔块耐碱性的影响。结果表明:Li2O和Na2O两种碱金属氧化物存在“混合碱金属效应”,其摩尔比为1时,熔块耐碱性最佳。氧化钙对碱金属(Li2O+Na2O)的压制效应明显,当CaO/(Li2O+Na2O)为1.22时,熔块耐碱性最好。二元碱土金属混合时,CaO/BaO、CaO/MgO摩尔比均为8.2时耐碱性最好,但BaO的效果要大于MgO;三元碱土混合中, CaO∶MgO∶BaO摩尔比为14∶3.3∶1时,熔块耐碱性最高,且此时釉的耐碱性也最强。

  20. A method for the production of weakly acidic cation exchange resins

    Science.gov (United States)

    Heller, H.; Werner, F.; Mitschker, A.; Diehl, H. V.; Schaefer, A.

    1991-12-01

    The invention relates to a nonpolluting method for the production of weakly acidic cation exchange resins by saponification of cross-linked acrylonitrile bead polymers, with an alkaline saponification agent at elevated temperature, according to which method the bead polymer and alkaline saponification agent are jointly added only at elevated temperature.

  1. Alkaline battery operational methodology

    Energy Technology Data Exchange (ETDEWEB)

    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.

  2. Binding properties of oxacalix[4]arenes derivatives toward metal cations; Interactions entre cations metalliques et derives des oxacalix[4]arenes

    Energy Technology Data Exchange (ETDEWEB)

    Mellah, B

    2006-11-15

    The objective of this work was to establish the binding properties of oxacalix[4]arene derivatives with different numbers of the oxa bridges, functional groups (ketones, pyridine, ester, amide and methoxy) and conformations. Their interactions with alkali and alkaline-earth, heavy and transition metal cations have been evaluated according to different approaches: (i) extraction of corresponding picrates from an aqueous phase into dichloromethane; (ii) determination of the thermodynamic parameters of complexation in methanol and/or acetonitrile by UV-spectrophotometry and micro-calorimetry; (iii) determination of the stoichiometry of the complexes by ESI-MS; (iv) {sup 1}H-NMR titrations allowing to localize the metal ions in the ligand cavity. In a first part dealing on homo-oxacalix[4]arenes, selectivities for Na{sup +}, K{sup +}, Ca{sup 2+}, Pb{sup 2+} and Mn{sup 2+} of ketones derivatives was shown. The presence of oxa bridge in these derivatives increases their efficiency while decreasing their selectivity with respect to related calixarenes. The pyridine derivative prefers transition and heavy metal cations, in agreement with the presence of the soft nitrogen atoms. In the second part, di-oxacalix[4]arene ester and secondary amide derivatives were shown to be less effective than tertiary amide counterparts but to present high selectivities for Li{sup +}, Ba{sup 2+}, Zn{sup 2+} and Hg{sup 2+}. A third part devoted to the octa-homo-tetra-oxacalix[4]arene tetra-methoxy shows that the 1:1 metal complexes formed are generally more stable than those of calixarenes, suggesting the participation of the oxygen atoms of the bridge in the complexation. Selectivity for Cs{sup +}, Ba{sup 2+}, Cu{sup 2+} and Hg{sup 2+} were noted. (author)

  3. Uranium in alkaline rocks

    International Nuclear Information System (INIS)

    Geologic and geochemical criteria were developed for the occurrence of economic uranium deposits in alkaline igneous rocks. A literature search, a limited chemical analytical program, and visits to three prominent alkaline-rock localities (Ilimaussaq, Greenland; Pocos de Caldas, Brazil; and Powderhorn, Colorado) were made to establish criteria to determine if a site had some uranium resource potential. From the literature, four alkaline-intrusive occurrences of differing character were identified as type-localities for uranium mineralization, and the important aspects of these localities were described. These characteristics were used to categorize and evaluate U.S. occurrences. The literature search disclosed 69 U.S. sites, encompassing nepheline syenite, alkaline granite, and carbonatite. It was possible to compare two-thirds of these sites to the type localities. A ranking system identified ten of the sites as most likely to have uranium resource potential

  4. Uranium in alkaline rocks

    Energy Technology Data Exchange (ETDEWEB)

    Murphy, M.; Wollenberg, H.; Strisower, B.; Bowman, H.; Flexser, S.; Carmichael, I.

    1978-04-01

    Geologic and geochemical criteria were developed for the occurrence of economic uranium deposits in alkaline igneous rocks. A literature search, a limited chemical analytical program, and visits to three prominent alkaline-rock localities (Ilimaussaq, Greenland; Pocos de Caldas, Brazil; and Powderhorn, Colorado) were made to establish criteria to determine if a site had some uranium resource potential. From the literature, four alkaline-intrusive occurrences of differing character were identified as type-localities for uranium mineralization, and the important aspects of these localities were described. These characteristics were used to categorize and evaluate U.S. occurrences. The literature search disclosed 69 U.S. sites, encompassing nepheline syenite, alkaline granite, and carbonatite. It was possible to compare two-thirds of these sites to the type localities. A ranking system identified ten of the sites as most likely to have uranium resource potential.

  5. Cation control of energetics on dye-sensitized nanocrystalline TiO2 for solar cells

    Science.gov (United States)

    Stux, Arnold M.

    Regenerative solar cells based on nanocrystalline TiO2 (anatase) and the dye Ru(deeb)(bpy)2(PF6)2, where deeb is 4,4'-(CO2CH2CH3)2-2,2 '-bipyridine and bpy is 2,2'-bipyridine, have increased efficiency when in the presence of a high concentration of cations with a large charge-to-radius ratio. Concentration-dependent photoluminescence (PL) quenching and increased quantum yield for interfacial charge separation have been explored for mono- and divalent cations by absorbance, time-resolved and steady-state PL. Cation adsorption stabilizes TiO2 acceptor states resulting in energetically favorable electron transfer from the dye into the semiconductor conduction band. Quenching of the PL of excited states is reversible. A new luminescence approach for sensing alkali and alkaline earth metal cations utilizes the surface-adsorption/desorption induced energetic shifts of a semiconductor conduction band to alter the electron transfer quenching efficiency of a photoluminescent dye such as Ru(deeb)(bpy)2(PF 6)2 anchored to TiO2 nanoparticles. This approach yields intensity, lifetime, and wavelength-ratiometric calcium ion sensors that are sensitive to 5 x 10-4 M concentrations. In situ photoluminescence of a regenerative solar cell has been demonstrated as a probe of injection and efficiencies. The smaller the alkali cation, the higher the photocurrent and the more quenched the photoluminescence. The extent of quenching in 0.1 M iodide/0.01 M iodine electrolytes was 10-fold with LiI and 3-fold with NaI. A millimolar threshold concentration is observed for Li+ at which point a red shift in absorbance and photoluminescence spectra concomitant with significant static and dynamic quenching occurs. For Na+, the threshold concentration for observable red shift is more than an order of magnitude higher than for Li+. Cation adsorption was also observed on planar TiO2 surfaces in the absence of dye. The flat band potentials of single crystal TiO 2 (rutile) with cations in propylene

  6. Encapsulation of metal cations by the PhePhe ligand: a cation-pi ion cage

    NARCIS (Netherlands)

    R.C. Dunbar; J.D. Steill; J. Oomens

    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 nove

  7. 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 nove

  8. Molecular dynamics study of the influence of mobile cations on the reconstruction of an irradiated silicate glass

    International Nuclear Information System (INIS)

    The effect of ballistic collisions in a simplified nuclear glass was investigated by molecular dynamics. Systematic results were obtained in the 0-16 keV energy range. Following a damage peak, reconstruction of the glass structure was observed in terms of the overall degree of polymerization. The reconstruction was facilitated by the presence of mobile cations. The dynamics of restoration of the SiO4 tetrahedrons during displacement cascades and during the formation of a structure from a random configuration can be fitted to curves corresponding to the same analytic formula. This similarity allowed us to examine the influence of mobile cations (alkalis or alkaline earths) on the formation of SiO4 entities in smaller systems formed from random configurations. The formation rate of SiO4 tetrahedrons accelerates with the Na2O or CaO percentage to reach a maximum rate above about 10 mol% Na2O or CaO. This threshold corresponds to the disappearance in the glass structure of zones comprising a central bridging oxygen surrounded by two first-neighbor bridging oxygen rings. No mixed alkali effect was observed in systems containing both Na and Cs because the formation of SiO4 does not require long-range diffusion of mobile cations

  9. Modifier cation effects on (29)Si nuclear shielding anisotropies in silicate glasses.

    Science.gov (United States)

    Baltisberger, Jay H; Florian, Pierre; Keeler, Eric G; Phyo, Pyae A; Sanders, Kevin J; Grandinetti, Philip J

    2016-07-01

    We have examined variations in the (29)Si nuclear shielding tensor parameters of SiO4 tetrahedra in a series of seven alkali and alkaline earth silicate glass compositions, Cs2O·4.81 SiO2, Rb2O·3.96 SiO2, Rb2O·2.25 SiO2, K2O·4.48 SiO2, Na2O·4.74 SiO2, BaO·2.64 SiO2, and SrO·2.36 SiO2, using natural abundance (29)Si two-dimensional magic-angle flipping (MAF) experiments. Our analyses of these 2D spectra reveal a linear dependence of the (29)Si nuclear shielding anisotropy of Q((3)) sites on the Si-non-bridging oxygen bond length, which in turn depends on the cation potential and coordination of modifier cations to the non-bridging oxygen. We also demonstrate how a combination of Cu(2+) as a paramagnetic dopant combined with echo train acquisition can reduce the total experiment time of (29)Si 2D NMR measurements by two orders of magnitude, enabling higher throughput 2D NMR studies of glass structure. PMID:27187210

  10. Transition metal cations extraction by ester and ketone derivatives of chromogenic azocalix[4]arenes.

    Science.gov (United States)

    Ak, Metin; Taban, Deniz; Deligöz, Hasalettin

    2008-06-15

    The molecule of azocalix[n]arene is a macrocyclic used effectively in the complexation of the heavy metal pollutants (like silver and mercury). In this work, our main aim is to prepare new chromogenic azocalix[n]arene molecules to elaborate an extractant with high extractant selectivity for metal ions able to detect this type of pollutant. The solvent extraction properties of four acetyls, four methyl ketones and four benzoyls derivatives from azocalix[4]arenes which were prepared by linking 4-ethyl, 4-n-butyl, 4-acetamid anilin and 2-aminothiazol to calix[4]arene through a diazo-coupling reaction, the alkaline earth (Sr2+) and the transition (Ag+, Hg2+, Co2+, Ni2+, Cu2+, Zn2+, Cd2+, Cr3+) metal cations have been determined by extraction studies with metal picrates. Both ketones are better extractants than esters, and show a strong preference for Ag+, while Cu2+ and Cr3+ are the most extracted cation with the esters. Both acetyl and benzoyl esters are good carriers for Ag+ and Hg2+.

  11. Modifier cation effects on 29Si nuclear shielding anisotropies in silicate glasses

    Science.gov (United States)

    Baltisberger, Jay H.; Florian, Pierre; Keeler, Eric G.; Phyo, Pyae A.; Sanders, Kevin J.; Grandinetti, Philip J.

    2016-07-01

    We have examined variations in the 29Si nuclear shielding tensor parameters of SiO4 tetrahedra in a series of seven alkali and alkaline earth silicate glass compositions, Cs2O · 4.81 SiO2, Rb2O · 3.96 SiO2, Rb2O · 2.25 SiO2, K2O · 4.48 SiO2, Na2O · 4.74 SiO2, BaO · 2.64 SiO2, and SrO · 2.36 SiO2, using natural abundance 29Si two-dimensional magic-angle flipping (MAF) experiments. Our analyses of these 2D spectra reveal a linear dependence of the 29Si nuclear shielding anisotropy of Q(3) sites on the Si-non-bridging oxygen bond length, which in turn depends on the cation potential and coordination of modifier cations to the non-bridging oxygen. We also demonstrate how a combination of Cu2+ as a paramagnetic dopant combined with echo train acquisition can reduce the total experiment time of 29Si 2D NMR measurements by two orders of magnitude, enabling higher throughput 2D NMR studies of glass structure.

  12. A novel type bacterial flagellar motor that can use divalent cations as a coupling ion.

    Science.gov (United States)

    Imazawa, Riku; Takahashi, Yuka; Aoki, Wataru; Sano, Motohiko; Ito, Masahiro

    2016-01-01

    The bacterial flagellar motor is a sophisticated nanomachine embedded in the cell envelope and powered by an electrochemical gradient of H(+), Na(+), or K(+)across the cytoplasmic membrane. Here we describe a new member of the bacterial flagellar stator channel family (MotAB1 of Paenibacillus sp. TCA20 (TCA-MotAB1)) that is coupled to divalent cations (Ca(2+)and Mg(2+)). In the absence of divalent cations of alkaline earth metals, no swimming was observed in Paenibacillus sp. TCA20, which grows optimally in Ca(2+)-rich environments. This pattern was confirmed by swimming assays of a stator-free Bacillus subtilis mutant expressing TCA-MotAB1. Both a stator-free and major Mg(2+)uptake system-deleted B. subtilis mutant expressing TCA-MotAB1 complemented both growth and motility deficiency under low Mg(2+)conditions and exhibited [Mg(2+)]in identical to that of the wild-type. This is the first report of a flagellar motor that can use Ca(2+)and Mg(2+)as coupling ions. These findings will promote the understanding of the operating principles of flagellar motors and molecular mechanisms of ion selectivity. PMID:26794857

  13. 非水毛细管电泳分离碱金属、碱土金属和铵离子的机理研究%Investigation on Mechanism for Separation of Alkali, Alkaline Metal and Ammonium Cations in Nonaqueous Capillary Electrophoresis

    Institute of Scientific and Technical Information of China (English)

    刘红霞; 宋鹃梅; 张书胜; MACKA Miroslav; HADDAD Paul R

    2004-01-01

    Capillary electrophoresis ( CE ) has rapidly gained great interests among researchers in many different fields. One of these areas is the separation of small ions such as inorganic cations, anions, and low Mr organic molecules However, as the separation of ions

  14. Modification of potato peel waste with base hydrolysis and subsequent cationization.

    Science.gov (United States)

    Lappalainen, Katja; Kärkkäinen, Johanna; Joensuu, Päivi; Lajunen, Marja

    2015-11-01

    Potato peel waste (PW) is a starch containing biomaterial produced in large amounts by food processing industry. In this work, the treatment of PW by alkaline hydrolysis and cationization in the water phase is reported. In order to improve the cationization of starch, PW was hydrolyzed by heating with alkaline (NaOH) ethanol solution (80%) in a water bath. The impact of variable molar ratios of anhydroglucose unit (AGU):NaOH, heating temperatures and times was studied on the degradation of starch and the molecular size distribution of the product. The hydrolyzed PW was cationized subsequently in water by using glycidyltrimethylammonium chloride and catalyzed by NaOH under microwave irradiation or in an oil bath. The impact of the various reaction conditions on the cationization and degree of substitution of starch was studied. The degree of substitution of the cationized starch varied in the range of 0-0.35.

  15. Analytical study, by modelling methods, of the alkali and alkaline earth cations influence on the stability and the reactivity of aluminium (III) oxides or halides complexes; Etude analytique, par des techniques de modelisation, de l`influence de cations alcalins ou alcalino-terreux sur la stabilite et la reactivite de complexes de l`aluminium(III) avec des ions halogenures ou oxydes

    Energy Technology Data Exchange (ETDEWEB)

    Bouyer, F.

    1995-10-05

    The electric power consumption in aluminium production and electrorefining processes is high. A study of the electrochemical processes can be very useful for a better understanding of phenomena in electrolytic baths and then for reducing the production costs. A structural and vibrational analysis of species which exist in ionic solutions has been carried out with software based on the functional density theory. Concerning the electrolyte used for the aluminium refining, the anions study has shown that the aluminium chloro-fluoride complexes are preferentially tetrahedral. Moreover, the aluminium oxyfluoride complexes structures (which come from the alumina dissolution in cryolitic media) have been analyzed in the same way and the preferential coordination numbers for aluminium and oxygen have been shown clearly. The anionic model (which is limited to the nearest aluminium neighbours) does not allow to account for the thermodynamics of the cryolitic media. A more elaborated model has then been found to obtain the cryolite structure. The reactions enthalpies have been estimated and have lead to the calculus of species concentration gradients in liquid phase. The counterions effects as for instance sodium and calcium have been investigated. A model for the gaseous phase allowing to know the preferential species has been given. At last, a statistic thermochemistry program has been conceived and developed. It gives the thermodynamical functions at all temperature for the different complexes and allows to reckon the reactions coefficients in gaseous phase as well as the partial pressures profiles with those of calcium and sodium fluorides. (O.M.) 204 refs.

  16. Alkaline broadening in Stars

    CERN Document Server

    De Kertanguy, A

    2015-01-01

    Giving new insight for line broadening theory for atoms with more structure than hydrogen in most stars. Using symbolic software to build precise wave functions corrected for ds;dp quantum defects. The profiles obtained with that approach, have peculiar trends, narrower than hydrogen, all quantum defects used are taken from atomic database topbase. Illustration of stronger effects of ions and electrons on the alkaline profiles, than neutral-neutral collision mechanism. Keywords : Stars: fundamental parameters - Atomic processes - Line: profiles.

  17. Quantification of unsaturated-zone alteration and cation exchange in zeolitized tuffs at Yucca Mountain, Nevada, USA

    Science.gov (United States)

    Vaniman, David T.; Chipera, Steve J.; Bish, David L.; Carey, J. William; Levy, Schön S.

    2001-10-01

    Zeolitized horizons in the unsaturated zone (UZ) at Yucca Mountain, Nevada, USA, are an important component in concepts for a high-level nuclear waste repository at this site. The use of combined quantitative X-ray diffraction and geochemical analysis allows measurement of the chemical changes that accompanied open-system zeolitization at Yucca Mountain. This approach also provides measures of the extent of chemical migration that has occurred in these horizons as a result of subsequent cation exchange. Mass-balance analysis of zeolitized horizons with extensive cation exchange (drill hole UZ-16) and with only minimal cation exchange (drill hole SD-9) shows that Al is essentially immobile. Although zeolitization occurred in an open system, the mass transfer of constituents other than water is relatively small in initial zeolitization, in contrast to the larger scales of cation exchange that can occur after zeolites have formed. Cation exchange in the clinoptilolite ± mordenite zeolitized horizons is seen in downward-diminishing concentration gradients of Ca, Mg, and Sr exchanged for Na and (to lesser extent) K. Comparison with data from drill hole SD-7, which has multiple zeolitized horizons above the water table, shows that the upper horizons accumulate Ca, Mg, and Sr to such an extent that transport of these elements to the deepest UZ zeolitized horizon can be blocked. Quantitative analysis of zeolite formation yields insight into processes that are implied from laboratory studies and modeling efforts but are otherwise unverified at the site. Such analysis also yields information not provided by or contradicted by some models of flow and transport. The results include the following: (1) evidence of effective downward flow through zeolitic horizons despite the low permeability of these horizons, (2) evidence that alkaline-earth elements accumulated by zeolites are mostly derived from eolian materials in surface soils, (3) validation of the very effective

  18. Enhanced aggregation of alginate-coated iron oxide (hematite) nanoparticles in the presence of calcium, strontium, and barium cations.

    Science.gov (United States)

    Chen, Kai Loon; Mylon, Steven E; Elimelech, Menachem

    2007-05-22

    Early-stage aggregation kinetics studies of alginate-coated hematite nanoparticles in solutions containing alkaline-earth metal cations revealed enhanced aggregation rates in the presence of Ca2+, Sr2+, and Ba2+, but not with Mg2+. Transmission electron microscopy (TEM) imaging of the aggregates provided evidence that alginate gel formation was essential for enhanced aggregation to occur. Dynamic light scattering (DLS) aggregation results clearly indicated that a much lower concentration of Ba2+ compared to Ca2+ and Sr2+ was required to achieve a similar degree of enhanced aggregation in each system. To elucidate the relationship between the alginate's affinities for divalent cations and the enhanced aggregation of the alginate-coated hematite nanoparticles, atomic force microscopy (AFM) was employed to probe the interaction forces between alginate-coated hematite surfaces under the solution chemistries used for the aggregation study. Maximum adhesion forces, maximum pull-off distances, and the work of adhesion were used as indicators to gauge the alginate's affinity for the divalent cations and the resulting attractive interactions between alginate-coated hematite nanoparticles. The results showed that alginate had higher affinity for Ba2+ than either Sr2+ or Ca2+. This same trend was consistent with the cation concentrations required for comparable enhanced aggregation kinetics, suggesting that the rate of alginate gel formation controls the enhanced aggregation kinetics. An aggregation mechanism incorporating the gelation of alginate is proposed to explain the accelerated aggregate growth in the presence of Ca2+, Sr2+, and Ba2+. PMID:17469860

  19. Luminescence properties of a new red emitting Eu3+-doped alkaline-earth fluoborate phosphor: BaCa(1-2x)BO3F:xEu3+, xM+ (M=Li, Na, K)

    Institute of Scientific and Technical Information of China (English)

    SUN Jiayue; LAI Jinli; SUN Jianfeng; DU Haiyan

    2011-01-01

    A series of new red-emitting BaCa1-2xBO3F:xEu3+, xM+ (M=Li, Na, K) phosphors were synthesized by the solid-reaction method.X-ray diffraction (XRD), diffuse reflection (UV-vis) and photoluminescence spectra were utilized to characterize the crystallization process,structure and luminescence properties of the as-synthesized phosphors. The XRD results indicated that the sample began to crystallize at 800 ℃,and single-phase BaCaBO3F was fully obtained after annealing at 1000 C. The charge compensated behaviors were investigated in this paper by considering different cations like Li+, Na+ and K- acting as the charge compensator. The as-prepared phosphors had better emission properties, and the two characteristic emission lines peaking at 590 and 615 nm could be obtained upon 394, 463 and 532 nm excitation with the chromaticity coordinates of (0.596, 0.391), which were due to 5D0-7F1 and 5D0-TF2 transitions of Eu3+ ions. Further, the concentration quenching and corresponding luminescence mechanisms of BaCa1-2xBO3F:xEu3+, xNa+ phosphors were also discussed.

  20. Modelling of marine base cation emissions, concentrations and deposition in the UK

    Directory of Open Access Journals (Sweden)

    M. Werner

    2011-02-01

    Full Text Available Base cations exert a large impact on various geochemical and geophysical processes both in the atmosphere and at the Earth surface. One of the essential roles of these compounds is impact on surface pH causing an increase in alkalinity and neutralizing the effects of acidity generated by sulphur and nitrogen deposition. During recent years anthropogenic emissions of base cations in the UK have decreased substantially, by about 70%, 78%, 75% and 48% for Na+, Mg2+, Ca2+ and K+, respectively, over the period 1990–2006. For the island regions, such as the UK, the main source of base cation particles is the aerosol produced from the sea surface. Here, the sea salt aerosol (SSA emissions are calculated with parameterisations proposed by Mårtensson et al. (2003 for ultra fine particles, Monahan et al. (1986 for fine particles and Smith and Harisson (1998 for coarse particles continuously with a 0.1 μm size step using WRF-modelled wind speed data at a 5 km × 5 km grid square resolution with a 3 h time step for two selected years 2003 and 2006. SSA production has been converted into base cation emissions, with the assumption that the chemical composition of the particle emitted from the sea surface is equal to the chemical composition of sea water, and used as input data in the Fine Resolution Atmospheric Multi-pollutant Exchange Model (FRAME. FRAME model annual mean concentrations and total wet deposition at a 5 km × 5 km grid resolution, are compared with concentrations in air and wet deposition from the National Monitoring Network and measurements based estimates of UK deposition budget. The correlation coefficient for wet deposition achieves high values (R = 0.8 for Na+ and Mg2+, whereas for Ca2+ the correlation is poor (R < 0.3. Base cation concentrations are also represented well, with some overestimations on the west coast and underestimations in the

  1. Modelling of base cation emissions, concentrations and deposition in the UK

    Directory of Open Access Journals (Sweden)

    M. Werner

    2010-09-01

    Full Text Available Base cations exerts a large impact on various geochemical and geophysical processes both in the atmosphere and at the Earth surface. One of the essential roles of these compounds is impact on surface pH causing an increase in alkalinity and neutralizing the effects of acidity generated by sulphur and nitrogen deposition. During recent years anthropogenic emissions of base cations in the UK have decreased substantially, by about 70% for Na+, 78% for Mg2+, 75% for Ca2+ and about 48% for K+ for the period 1990–2006. For the island regions, such as the is UK, the main source of base cation particles is the aerosol produced from the sea surface. Here, the sea salt aerosol (SSA emissions are calculated with parameterisations proposed by Maårtensson et al. (2003; ultra fine particles, Monahan et al. (1986; fine particles and Smith and Harisson (1998; coarse particles continuously with a 0.1 μ m size step using WRF-modelled wind speed data at a 5 km × 5 km grid square resolution with a 3 h time step for two selected years 2003 and 2006. SSA production has been converted into base cation emissions, with the assumption that the chemical composition of the particle emitted from the sea surface is equal to the chemical composition of sea water, and used as input data in the Fine Resolution Atmospheric Multi-pollutant Exchange Model (FRAME. FRAME model results, yearly mean concentrations and total wet deposition at a 5 km × 5 km grid resolution, are compared with concentrations in air and wet deposition from the National Monitoring Network and measurements based estimates of UK deposition budget. The correlation coefficient for wet deposition achieves high values for Na+ and Mg2+, and for Ca2+ there is significant scattering. Base cation concentration is also represented well, with some overestimations on the west coast and underestimations in the centre of the land.

  2. Alkaline Phosphatase in Stem Cells

    Directory of Open Access Journals (Sweden)

    Kateřina Štefková

    2015-01-01

    Full Text Available Alkaline phosphatase is an enzyme commonly expressed in almost all living organisms. In humans and other mammals, determinations of the expression and activity of alkaline phosphatase have frequently been used for cell determination in developmental studies and/or within clinical trials. Alkaline phosphatase also seems to be one of the key markers in the identification of pluripotent embryonic stem as well as related cells. However, alkaline phosphatases exist in some isoenzymes and isoforms, which have tissue specific expressions and functions. Here, the role of alkaline phosphatase as a stem cell marker is discussed in detail. First, we briefly summarize contemporary knowledge of mammalian alkaline phosphatases in general. Second, we focus on the known facts of its role in and potential significance for the identification of stem cells.

  3. Alkaline fuel cells applications

    Science.gov (United States)

    Kordesch, Karl; Hacker, Viktor; Gsellmann, Josef; Cifrain, Martin; Faleschini, Gottfried; Enzinger, Peter; Fankhauser, Robert; Ortner, Markus; Muhr, Michael; Aronson, Robert R.

    On the world-wide automobile market technical developments are increasingly determined by the dramatic restriction on emissions as well as the regimentation of fuel consumption by legislation. Therefore there is an increasing chance of a completely new technology breakthrough if it offers new opportunities, meeting the requirements of resource preservation and emission restrictions. Fuel cell technology offers the possibility to excel in today's motive power techniques in terms of environmental compatibility, consumer's profit, costs of maintenance and efficiency. The key question is economy. This will be decided by the costs of fuel cell systems if they are to be used as power generators for future electric vehicles. The alkaline hydrogen-air fuel cell system with circulating KOH electrolyte and low-cost catalysed carbon electrodes could be a promising alternative. Based on the experiences of Kordesch [K. Kordesch, Brennstoffbatterien, Springer, Wien, 1984, ISBN 3-387-81819-7; K. Kordesch, City car with H 2-air fuel cell and lead-battery, SAE Paper No. 719015, 6th IECEC, 1971], who operated a city car hybrid vehicle on public roads for 3 years in the early 1970s, improved air electrodes plus new variations of the bipolar stack assembly developed in Graz are investigated. Primary fuel choice will be a major issue until such time as cost-effective, on-board hydrogen storage is developed. Ammonia is an interesting option. The whole system, ammonia dissociator plus alkaline fuel cell (AFC), is characterised by a simple design and high efficiency.

  4. Synthesis of a Tweezer-like Bis(phenylthiapropoxy)calix[4]arene as a Cation/π Enhanced Sensor for Ion-Selective Electrodes

    Institute of Scientific and Technical Information of China (English)

    SUN,Hao(孙浩); ZHANG,Zheng-Zhi(张正之); ZENG,Xian-Shun(曾宪顺); LU,Jian-Quan(吕监泉); LENG,Xue-Bing(冷雪冰); CHEN Qi-Fa(陈企发); XU,Feng-Bo(徐风波); LI,Qing-Shan(李庆山); HE,Xi-Wen(何锡文); ZHANG,Wen-Qin(张文勤)

    2002-01-01

    Two novel 25,27-dihydroxy-26,28-bis(3-phenylthiapropoxy)-calix[4]arene (3) and 25,27-dihydroxy-26,28-bis(3-phenylthiapropoxy)-5,11, 17, 23-tetra-tert-butylcalix[4] arene (4) were synthesized for the evaluation of their ion-selectivity in ion-selective electrodes (ISEs). ISEs based on 3 and 4 as neutral ionophores were prepared, and their selectivity coefficients for Ag+ (lg Kpot Ag,M) were investigated against other alkali metal,alkaline-earth metal, aluninum, thallium(Ⅰ), lead and some transition metal ions using the separate solution method (SSM). These ISEs showed excellent Ag + selectivity over most of the interfering cations examined, except for Hg2 + and Fe2 + having relative smaller interference (lgKpot Ag,M≤ -2.1).

  5. Bifunctional alkaline oxygen electrodes

    Science.gov (United States)

    Swette, L.; Kackley, N.; Mccatty, S. A.

    1991-01-01

    The authors describe the identification and testing of electrocatalysts and supports for the positive electrode of moderate-temperature, single-unit, rechargeable alkaline fuel cells. Recent work on Na(x)Pt3O4, a potential bifunctional catalyst, is described, as well as the application of novel approaches to the development of more efficient bifunctional electrode structures. The three dual-character electrodes considered here showed similar superior performance; the Pt/RhO2 and Rh/RhO2 electrodes showed slightly better performance than the Pt/IrO2 electrode. It is concluded that Na(x)Pt3O4 continues to be a promising bifunctional oxygen electrode catalyst but requires further investigation and development.

  6. Silica in alkaline brines

    Science.gov (United States)

    Jones, B.F.; Rettig, S.L.; Eugster, H.P.

    1967-01-01

    Analysis of sodium carbonate-bicarbonate brines from closed basins in volcanic terranes of Oregon and Kenya reveals silica contents of up to 2700 parts per million at pH's higher than 10. These high concentrations of SiO 2 can be attributed to reaction of waters with silicates, and subsequent evaporative concentration accompanied by a rise in pH. Supersaturation with respect to amorphous silica may occur and persist for brines that are out of contact with silicate muds and undersaturated with respect to trona; correlation of SiO2 with concentration of Na and total CO2 support this interpretation. Addition of moredilute waters to alkaline brines may lower the pH and cause inorganic precipitation of substantial amounts of silica.

  7. An alkaline element

    Energy Technology Data Exchange (ETDEWEB)

    Arita, T.; Murakami, K.; Okha, K.

    1983-04-28

    A cathode with a dual layer active mass is installed in the disk shaped alkaline silver and zinc element. The first layer, which is turned towards the anode, contains 85 parts Ag2O, 5 parts electrolytic MnO2 and 10 parts graphite. The second layer, which contacts the bottom of the element, contains 35 parts Ag2O, 60 parts electrolytic MnO2 and 5 parts graphite. The electrical capacity of the first and second layers is 60 and 40, respectively. The first layer may be discharged with a high current density and the second layer with less current density. The element has high characteristics with comparatively low cost.

  8. Alkaline ionic liquids applied in supported ionic liquid catalyst for selective hydrogenation of citral to citronellal

    Science.gov (United States)

    Salminen, Eero; Virtanen, Pasi; Mikkola, Jyri-Pekka

    2014-02-01

    The challenge in preparation of ionic liquids containing a strong alkaline anion is to identify a suitable cation which can tolerate the harsh conditions induced by the anion. In this study, a commercial quaternary ammonium compound (quat) benzalkonium [ADBA] (alkyldimethylbenzylammonium) was used as a cation in the synthesis of different alkaline ionic liquids. In fact, the precursor, benzalkonium chloride, is a mixture of alkyldimethylbenzylammonium chlorides of various alkyl chain lengths and is commonly used in the formulation of various antiseptic products. The prepared ionic liquids were utilized as Supported Ionic Liquid Catalysts (SILCAs). Typically, a SILCA contains metal nanoparticles, enzymes or metal complexes in an ionic liquid layer which is immobilized on a solid carrier material such as an active carbon cloth (ACC). The catalysts were applied in the selective hydrogenation of citral to citronellal which is an important perfumery chemical. Interestingly, 70 % molar yield towards citronellal was achieved over a catalyst containing the alkaline ionic liquid benzalkonium methoxide.

  9. Alkaline ionic liquids applied in supported ionic liquid catalyst for selective hydrogenation of citral to citronellal

    Directory of Open Access Journals (Sweden)

    Eero eSalminen

    2014-02-01

    Full Text Available The challenge in preparation of ionic liquids containing a strong alkaline anion is to identify a suitable cation which can tolerate the harsh conditions induced by the anion. In this study, a commercial quaternary ammonium compound (quat benzalkonium [ADBA] (alkyldimethylbenzylammonium was used as a cation in the synthesis of different alkaline ionic liquids. In fact, the precursor, benzalkonium chloride, is a mixture of alkyldimethylbenzylammonium chlorides of various alkyl chain lengths and is commonly used in the formulation of various antiseptic products. The prepared ionic liquids were utilized as Supported Ionic Liquid Catalysts (SILCAs. Typically, a SILCA contains metal nanoparticles, enzymes or metal complexes in an ionic liquid layer which is immobilized on a solid carrier material such as an active carbon cloth (ACC. The catalysts were applied in the selective hydrogenation of citral to citronellal which is an important perfumery chemical. Interestingly, 70 % molar yield towards citronellal was achieved over a catalyst containing the alkaline ionic liquid benzalkonium methoxide.

  10. Aftertreatment of Conventional Direct Dyeings of Cotton with a Bis-reactive Cationic Fixing Agent

    Institute of Scientific and Technical Information of China (English)

    SHARIF Saima; SAEED Ahmad; MUHAMMAD Naeem Khan; MUHAMMAD Fauz-uI-Azeem

    2009-01-01

    A his-reactive cationic fixing agent,ethylenebis[N-(2,3-epoxypropyl)-N,N-dimethylammonium chloride] has been used as an aftertreatment reagent to improve the wash fasmess of direct dyes on cotton.The effects of different pH conditions and concentrations on the effectiveness of this cationic fixing agent have been investigated.The results showed that aftertreatment at pH 11 produced dyeings with higher colour strength and better wash fastness than that at pH 7.In addition,the cationic agent at a low concentration was found to be more effective under both neutral and alkaline conditions.

  11. Modulators of intestinal alkaline phosphatase.

    Science.gov (United States)

    Bobkova, Ekaterina V; Kiffer-Moreira, Tina; Sergienko, Eduard A

    2013-01-01

    Small molecule modulators of phosphatases can lead to clinically useful drugs and serve as invaluable tools to study functional roles of various phosphatases in vivo. Here, we describe lead discovery strategies for identification of inhibitors and activators of intestinal alkaline phosphatases. To identify isozyme-selective inhibitors and activators of the human and mouse intestinal alkaline phosphatases, ultrahigh throughput chemiluminescent assays, utilizing CDP-Star as a substrate, were developed for murine intestinal alkaline phosphatase (mIAP), human intestinal alkaline phosphatase (hIAP), human placental alkaline phosphatase (PLAP), and human tissue-nonspecific alkaline phosphatase (TNAP) isozymes. Using these 1,536-well assays, concurrent HTS screens of the MLSMR library of 323,000 compounds were conducted for human and mouse IAP isozymes monitoring both inhibition and activation. This parallel screening approach led to identification of a novel inhibitory scaffold selective for murine intestinal alkaline phosphatase. SAR efforts based on parallel testing of analogs against different AP isozymes generated a potent inhibitor of the murine IAP with IC50 of 540 nM, at least 65-fold selectivity against human TNAP, and >185 selectivity against human PLAP. PMID:23860652

  12. Alkaline battery, separator therefore

    Science.gov (United States)

    Schmidt, George F. (Inventor)

    1980-01-01

    An improved battery separator for alkaline battery cells has low resistance to electrolyte ion transfer and high resistance to electrode ion transfer. The separator is formed by applying an improved coating to an electrolyte absorber. The absorber, preferably, is a flexible, fibrous, and porous substrate that is resistant to strong alkali and oxidation. The coating composition includes an admixture of a polymeric binder, a hydrolyzable polymeric ester and inert fillers. The coating composition is substantially free of reactive fillers and plasticizers commonly employed as porosity promoting agents in separator coatings. When the separator is immersed in electrolyte, the polymeric ester of the film coating reacts with the electrolyte forming a salt and an alcohol. The alcohol goes into solution with the electrolyte while the salt imbibes electrolyte into the coating composition. When the salt is formed, it expands the polymeric chains of the binder to provide a film coating substantially permeable to electrolyte ion transfer but relatively impermeable to electrode ion transfer during use.

  13. Chemical degradation mechanisms of membranes for alkaline membrane fuel cells

    International Nuclear Information System (INIS)

    Chemical degradation mechanisms of membranes for alkaline membrane fuel cells have been investigated using density functional theory (DFT). We have elucidated that the aryl-ether moiety of membranes is one of the weakest site against attack of hydroxide ions. The results of DFT calculations for hydroxide initiated aryl-ether cleavage indicated that the aryl-ether cleavage occurred prior to degradation of cationic functional group. Such a weak nature of the aryl-ether group arises from the electron deficiency of the aryl group as well as the low bond dissociation energy. The DFT results suggests that removal of the aryl-ether group in the membrane should enhance the stability of membranes under alkaline conditions. In fact, an ether fee poly(phenylene) membrane exhibits excellent stability against the attack from hydroxide ions

  14. Chemical degradation mechanisms of membranes for alkaline membrane fuel cells

    Energy Technology Data Exchange (ETDEWEB)

    Choe, Yoong-Kee [National Institute of Advanced Industrial Science and Technology, Umezono 1-1-1, Tsukuba (Japan); Henson, Neil J.; Kim, Yu Seung [Los Alamos National Laboratory, Los Alamos, NM (United States)

    2015-12-31

    Chemical degradation mechanisms of membranes for alkaline membrane fuel cells have been investigated using density functional theory (DFT). We have elucidated that the aryl-ether moiety of membranes is one of the weakest site against attack of hydroxide ions. The results of DFT calculations for hydroxide initiated aryl-ether cleavage indicated that the aryl-ether cleavage occurred prior to degradation of cationic functional group. Such a weak nature of the aryl-ether group arises from the electron deficiency of the aryl group as well as the low bond dissociation energy. The DFT results suggests that removal of the aryl-ether group in the membrane should enhance the stability of membranes under alkaline conditions. In fact, an ether fee poly(phenylene) membrane exhibits excellent stability against the attack from hydroxide ions.

  15. Mineral carbonation of gaseous carbon dioxide using a clay-hosted cation exchange reaction.

    Science.gov (United States)

    Kang, Il-Mo; Roh, Ki-Min

    2013-01-01

    The mineral carbonation method is still a challenge in practical application owing to: (1) slow reaction kinetics, (2) high reaction temperature, and (3) continuous mineral consumption. These constraints stem from the mode of supplying alkaline earth metals through mineral acidification and dissolution. Here, we attempt to mineralize gaseous carbon dioxide into calcium carbonate, using a cation exchange reaction of vermiculite (a species of expandable clay minerals). The mineralization is operated by draining NaCI solution through vermiculite powders and continuously dropping into the pool of NaOH solution with CO2 gas injected. The mineralization temperature is regulated here at 293 and 333 K for 15 min. As a result of characterization, using an X-ray powder diffractometer and a scanning electron microscopy, two types of pure CaCO3 polymorphs (vaterite and calcite) are identified as main reaction products. Their abundance and morphology are heavily dependent on the mineralization temperature. Noticeably, spindle-shaped vaterite, which is quite different from a typical vaterite morphology (polycrystalline spherulite), forms predominantly at 333 K (approximately 98 wt%).

  16. 与碳酸岩-碱性杂岩体相关的内生稀土矿床成矿作用研究进展%Review of the Metallogenesis of the Endogenetic Rare Earth Elements Deposits Related to Carbonatite-Alkaline Complex

    Institute of Scientific and Technical Information of China (English)

    宋文磊; 许成; 王林均; 吴敏; 曾亮; 王丽泽; 冯梦

    2013-01-01

    The geological characteristics and mineralization of the endogenetic rare earth elements (REE) deposits related with carbonatite-alkaline complexes are reviewed.The REE deposits mainly include primary magmatic and hydrothermal types.The former is relatively rare,and REE minerals crystallized from carbonatite magma.The REE minerals in hydrothermal deposits are intergrowth with calcite,fluorite,barite,quartz.They occur as ore veins intruding carbonatite-alkaline complexes and wall rocks,or as fracture or void filling fine-grained,polycrystalline aggregates overprinting earlier carbonatitic minerals.Previous researches showed that REE mineralization was controlled by the crystallization and accumulation of carbonate minerals during carbonatitc magma-hydrothermal processes.However,REE enrichment mechanism is still debate,i.e.liquid immiscibility of carbonate-silicate magmas,fractional crystallization of carbonate minerals from carbonatite magma,extraction of carbonatitic liquids,and hydrothermal alteration of carbonatites.Note carbonatites normally show light REE enrichment and mineralization,and absent heavy REE minerals.Therefore,high temperature and pressure experiments on REE partition coefficients between volatile-rich carbonate and alkaline silicate melts or fluids,and REE partition behavior between carbonate and co-precipitating minerals during carbonatite magma evolution,will be a key to reveal the REE mineralization mechanism.%综述与碳酸岩-碱性杂岩体相关的内生稀土矿床的基本特征和成矿作用研究进展.根据矿化特征,该类矿床大体可以分为原生岩浆型和热液型,前者稀土矿物是从碳酸岩岩浆中直接结晶出来,矿化主要产于碳酸岩岩体中;后者稀土矿物通常与方解石、萤石、重晶石、石英等矿物共生形成脉体,穿插于碳酸岩杂岩体及围岩中,或作为裂隙或空洞充填物,或呈细粒多晶集合体叠加在碳酸岩中早期形成的矿物之上.以往的研究

  17. Low cation coordination in oxide melts

    Energy Technology Data Exchange (ETDEWEB)

    Skinner, Lawrie [State University of New York, Stony Brook; Benmore, Chris J [Argonne National Laboratory (ANL); Du, Jincheng [University of North Texas; Weber, Richard [Argonne National Laboratory (ANL); Neuefeind, Joerg C [ORNL; Tumber, Sonia [Materials Development, Inc., Evanston, IL; Parise, John B [Stony Brook University (SUNY)

    2014-01-01

    The complete set of Faber-Ziman partial pair distribution functions for a rare earth oxide liquid were measured for the first time by combining aerodynamic levitation, neutron diffraction, high energy x-ray diffraction and isomorphic substitution using Y2 O3 and Ho2 O3 melts. The average Y- O coordination is measured to be 5.5(2), which is significantly less than the octahedral coordination of crystalline Y2 O3 (or Ho2 O3 ). Investigation of high temperature La2 O3 , ZrO2 , SiO2 , and Al2 O3 melts by x-ray diffraction and molecular dynamics simulations also show lower-than-crystal cation- oxygen coordination. These measurements suggest a general trend towards lower M-O coordination compared to their crystalline counterparts. It is found that this coordination number drop is larger for lower field strength, larger radius cations and is negligible for high field strength (network forming) cations. These findings have broad implications for predicting the local structure and related physical properties of metal-oxide melts and oxide glasses.

  18. Low Cation Coordination in Oxide Melts

    Science.gov (United States)

    Skinner, L. B.; Benmore, C. J.; Weber, J. K. R.; Du, J.; Neuefeind, J.; Tumber, S. K.; Parise, J. B.

    2014-04-01

    The complete set of partial pair distribution functions for a rare earth oxide liquid are measured by combining aerodynamic levitation, neutron and x-ray diffraction on Y2O3, and Ho2O3 melts at 2870 K. The average Y-O (or Ho-O) coordination of these isomorphic melts is measured to be 5.5(2), which is significantly less than the octahedral coordination of crystalline Y2O3 (or Ho2O3). Investigation of La2O3, ZrO2, and Al2O3 melts by x-ray diffraction and molecular dynamics simulations also show lower-than-crystal cation-oxygen coordination. These measurements suggest a general trend towards lower coordination compared to their crystalline counterparts. It is found that the coordination drop is larger for lower field strength, larger radius cations and is negligible for high field strength (network forming) cations, such as SiO2. These findings have broad implications for predicting the local structure and related physical properties of metal-oxide melts and oxide glasses.

  19. Alkaline earth-gold-aluminides. Synthesis and structure of SrAu{sub 3}Al{sub 2}, SrAu{sub 2.83}Al{sub 2.17}, BaAu{sub 2.89}Al{sub 2.11} and BaAu{sub 7.09}Al{sub 5.91}

    Energy Technology Data Exchange (ETDEWEB)

    Gerke, Birgit; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie

    2015-07-01

    New alkaline earth-gold-aluminides were synthesized from the elements in sealed tantalum or quartz ampoules in muffle furnaces at maximum annealing temperatures of 1325 K. The structures were refined from single crystal X-ray diffractometer data. SrAu{sub 3}Al{sub 2} crystallizes in an ordered version of the LT-SrZn{sub 5} structure: Pnma, a = 1315.9(3), b = 549.0(1), c = 684.5(3) pm, wR2 = 0.0232, 930 F{sup 2} values, 35 variables. SrAu{sub 2.83}Al{sub 2.17} (a = 1065.0(2), b = 845.0(2), c = 548.1(1) pm, wR2 = 0.0416, 452 F{sup 2} values, 22 variables) and BaAu{sub 2.89}Al{sub 2.11} (a = 1096.1(3), b = 835.7(3), c = 554.0(1) pm, wR2 = 0.0280, 501 F{sup 2} values, 22 variables) both adopt the BaZn{sub 5} type, space group Cmcm with Au/Al mixing on the 4c site. The gold and aluminum atoms in both types form three-dimensional networks of condensed tetrahedra with the strontium and barium atoms in large cavities. BaAu{sub 7.09}Al{sub 5.91} is a new member of the NaZn{sub 13} type: Fm anti 3c, a = 1257.6(2) pm, wR2 = 0.0267, 168 F{sup 2} values, 12 variables. Both the 96i and 8b sites show Au/Al mixing. The crystal chemical details are discussed.

  20. Earth System Governance: Facing the Challenges of Climate Change

    Directory of Open Access Journals (Sweden)

    Susana Camargo Vieira

    2013-01-01

    Full Text Available YOUNG, Oran R. Institutional Dynamics: Emergent Patterns in International Environmental Governance. Cambridge (Massachusets, USA: The MIT Press, 2010. Earth System Governance Series. 225p. (Paperback; alkaline paper. ISBN 978-0-262-51440-8.

  1. The alkaline and alkaline-carbonatite magmatism from Southern Brazil

    Science.gov (United States)

    Ruberti, E.; Gomes, C. D. B.; Comin-Chiaramonti, P.

    2015-12-01

    Early to Late Cretaceous lasting to Paleocene alkaline magmatism from southern Brazil is found associated with major extensional structural features in and around the Paraná Basin and grouped into various provinces on the basis of several data. Magmatism is variable in size, mode of occurrence and composition. The alkaline rocks are dominantly potassic, a few occurrences showing sodic affinity. The more abundant silicate rocks are evolved undersaturated to saturated in silica syenites, displaying large variation in igneous forms. Less evolved types are restricted to subvolcanic environments and outcrops of effusive suites occur rarely. Cumulatic mafic and ultramafic rock types are very common, particularly in the alkali-carbonatitic complexes. Carbonatite bodies are represented by Ca-carbonatites and Mg-carbonatites and more scarcely by Fe-carbonatites. Available radiometric ages for the alkaline rocks fit on three main chronological groups: around 130 Ma, subcoveal with the Early Cretaceous flood tholeiites of the Paraná Basin, 100-110 Ma and 80-90 Ma (Late Cretaceous). The alkaline magmatism also extends into Paleocene times, as indicated by ages from some volcanic lavas. Geochemically, alkaline potassic and sodic rock types are distinguished by their negative and positive Nb-Ta anomalies, respectively. Negative spikes in Nb-Ta are also a feature common to the associated tholeiitic rocks. Sr-Nd-Pb systematics confirm the contribution of both HIMU and EMI mantle components in the formation of the alkaline rocks. Notably, Early and Late Cretaceous carbonatites have the same isotopic Sr-Nd initial ratios of the associated alkaline rocks. C-O isotopic Sr-Nd isotopic ratios indicate typical mantle signature for some carbonatites and the influence of post-magmatic processes in others. Immiscibility of liquids of phonolitic composition, derived from mafic alkaline parental magmas, has been responsible for the origin of the carbonatites. Close association of alkaline

  2. 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.

    2001-01-01

    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 mag

  3. The Assessment of Radioactive Body Burdens of the Alkaline Earths

    International Nuclear Information System (INIS)

    The difficulties in obtaining data on the metabolism of bone-seeking radioactive isotopes in man are widely appreciated, especially on the distribution of the isotope between different bones and the microscopic distribution within the same bone. If a full understanding of the metabolism in man is to be obtained, there is at present no alternative but to resort to the use of experimental animals. The calcium and strontium metabolism of the rabbit, which is the smallest animal to have similar skeletal structure to that of human bone, has been studied. The research was planned to include as many parameters as possible. These included specific activity measurements of plasma, urine and faeces, total retention in the skeleton as well as individual bones and in some cases soft tissue. In addition the microscopic distribution of the isotope was studied by quantitative autoradiographic techniques at different time intervals. The results have been considered in the light of various models proposed for the retention of bone-seeking isotopes in mammals and the limitations of each of these models have been assessed. Measurements have been made over sufficiently long time intervals compared with the life-span of the rabbit to enable predictions to be made about the long-term behaviour in man. The results indicate that none of the existing models is completely satisfactory but that a modification of the power function is the most useful. The importance of exchange, as well as resorption, for the removal of radioactive isotopes from the skeleton is well illustrated by the quantitative autoradiographic measurements. (author)

  4. 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.

  5. Energetics of Amino Acid Synthesis in Alkaline Hydrothermal Environments

    Science.gov (United States)

    Kitadai, Norio

    2015-12-01

    Alkaline hydrothermal systems have received considerable attention as candidates for the origin and evolution of life on the primitive Earth. Nevertheless, sufficient information has not yet been obtained for the thermodynamic properties of amino acids, which are necessary components for life, at high temperatures and alkaline pH. These properties were estimated using experimental high-temperature volume and heat capacity data reported in the literature for several amino acids, together with correlation algorithms and the revised Helgeson-Kirkham-Flowers (HKF) equations of state. This approach enabled determination of a complete set of the standard molal thermodynamic data and the revised HKF parameters for the 20 protein amino acids in their zwitterionic and ionization states. The obtained dataset was then used to evaluate the energetics of amino acid syntheses from simple inorganic precursors (CO2, H2, NH3 and H2S) in a simulated alkaline hydrothermal system on the Hadean Earth. Results show that mixing between CO2-rich seawater and the H2-rich hydrothermal fluid can produce energetically favorable conditions for amino acid syntheses, particularly in the lower-temperature region of such systems. Together with data related to the pH and temperature dependences of the energetics of amino acid polymerizations presented in earlier reports, these results suggest the following. Hadean alkaline hydrothermal settings, where steep pH and temperature gradients may have existed between cool, slightly acidic Hadean ocean water and hot, alkaline hydrothermal fluids at the vent-ocean interface, may be energetically the most suitable environment for the synthesis and polymerization of amino acids.

  6. Alkaline degradation studies of anion exchange polymers to enable new membrane designs

    Science.gov (United States)

    Nunez, Sean Andrew

    Current performance targets for anion-exchange membrane (AEM) fuel cells call for greater than 95% alkaline stability for 5000 hours at temperatures up to 120 °C. Using this target temperature of 120 °C, an incisive 1H NMR-based alkaline degradation method to identify the degradation products of n-alkyl spacer tetraalkylammonium cations in various AEM polymers and small molecule analogs. Herein, the degradation mechanisms and rates of benzyltrimethylammonium-, n-alkyl interstitial spacer- and n-alkyl terminal pendant-cations are studied on several architectures. These findings demonstrate that benzyltrimethylammonium- and n-alkyl terminal pendant cations are more labile than an n-alkyl interstitial spacer cation and conclude that Hofmann elimination is not the predominant mechanism of alkaline degradation. Additionally, the alkaline stability of an n-alkyl interstitial spacer cation is enhanced when combined with an n-alkyl terminal pendant. Interestingly, at 120 °C, an inverse trend was found in the overall alkaline stability of AEM poly(styrene) and AEM poly(phenylene oxide) samples than was previously shown at 80 °C. Successive small molecule studies suggest that at 120 °C, an anion-induced 1,4-elimination degradation mechanism may be activated on styrenic AEM polymers bearing an acidic alpha-hydrogen. In addition, an ATR-FTIR based method was developed to assess the alkaline stability of solid membranes and any added resistance to degradation that may be due to differential solubilities and phase separation. To increase the stability of anion exchange membranes, Oshima magnesate--halogen exchange was demonstrated as a method for the synthesis of new anion exchange membranes that typically fail in the presence of organolithium or Grignard reagents alone. This new chemistry, applied to non-resinous polymers for the first time, proved effective for the n-akyl interstitial spacer functionalization of poly(phenylene oxide) and poly(styrene- co

  7. Ion exchange behaviour of polymeric zirconium cations

    International Nuclear Information System (INIS)

    Polymeric zirconium cations formed in weakly acid solutions (pH2) are taken up strongly into macroporous cation exchange resins, while uptake into normal cation exchange resins (pore diameter about 1 nm) is low. Macroporous cation exchange resins loaded with polymeric Zr cations are shown to function as ligand exchange sorbents. (Authors)

  8. Exchange of lyotropic series cations by micaceous vermiculite and its weathering products determined by electron microscopy and radiochemical analysis. Final technical report, June 1, 1965-October 31, 1978

    International Nuclear Information System (INIS)

    Micaceous vermiculite was found to be ubiquitous in soils, sediments, and aerosol mineral dusts and to adsorb fission product ions, particularly 137Cs+ and 90Sr2+. Crystallographic wedge zones (imaged by ultramicrotomy and electron microscopy) in micaceous vermiculite effected tight fixation of Cs+. Lowering of mica layer charge occurred in local areas, electronoscopically imaged by use of blister-swelling cations. Nuclear fission particle tracks of U enhanced translayer diffusion of elements, measured mica layer charge and age. Iron-aluminum hydrous oxide coatings adsorbed divalent cations of the alkaline earth, transition, and heavy metal elements from trace concentrations in the presence of 1 M NaNO3. Global deposition of dust by rainfall accounted for the wide distribution of Cs-fixing micaceous vermiculite in soils. Origin of the dust was traced through a method developed for isolation of fine quartz silt (1 to 10 μm diameter). Mass spectrometry of its 18O/16O isotopic ratios showed distinctly higher (delta18O = 17 to 22%0) and lower (delta18O = 9 to 15%0) ranges in the Northern and Southern Hemispheres, respectively. This difference was traced to the relative proportions of quartz from low-temperature authigenic (chert) vs igneous-metamorphic origin in the respective latitudes, hinging on trans-equatorial continental drift

  9. Catalytic Diversity in Alkaline Hydrothermal Vent Systems on Ocean Worlds

    Science.gov (United States)

    Cameron, Ryan D.; Barge, Laura; Chin, Keith B.; Doloboff, Ivria J.; Flores, Erika; Hammer, Arden C.; Sobron, Pablo; Russell, Michael J.; Kanik, Isik

    2016-10-01

    Hydrothermal systems formed by serpentinization can create moderate-temperature, alkaline systems and it is possible that this type of vent could exist on icy worlds such as Europa which have water-rock interfaces. It has been proposed that some prebiotic chemistry responsible for the emergence of life on Earth and possibly other wet and icy worlds could occur as a result ofredox potential and pH gradients in submarine alkaline hydrothermal vents (Russell et al., 2014). Hydrothermal chimneys formed in laboratory simulations of alkaline vents under early Earth conditions have precipitate membranes that contain minerals such as iron sulfides, which are hypothesized to catalyze reduction of CO2 (Yamaguchi et al. 2014, Roldan et al. 2014) leading to further organic synthesis. This CO2 reduction process may be affected by other trace components in the chimney, e.g. nickel or organic molecules. We have conducted experiments to investigate catalytic properties of iron and iron-nickel sulfides containing organic dopants in slightly acidic ocean simulants relevant to early Earth or possibly ocean worlds. We find that the electrochemical properties of the chimney as well as the morphology/chemistry of the precipitate are affected by the concentration and type of organics present. These results imply that synthesis of organics in water-rock systems on ocean worlds may lead to hydrothermal precipitates which can incorporate these organic into the mineral matrix and may affect the role of gradients in alkaline vent systems.Therefore, further understanding on the electroactive roles of various organic species within hydrothermal chimneys will have important implications for habitability as well as prebiotic chemistry. This work is funded by NASA Astrobiology Institute JPL Icy Worlds Team and a NAI Director's Discretionary Fund award.Yamaguchi A. et al. (2014) Electrochimica Acta, 141, 311–318.Russell, M. J. et al. (2014), Astrobiology, 14, 308-43.Roldan, A. (2014) Chem. Comm

  10. Alkaline-sulphate activation processes of a Spanish blast furnace slag

    OpenAIRE

    Fernández Jiménez, A.; Puertas, F.; Fernández-Carrasco, L.

    1996-01-01

    Alkaline-sulphate activation processes of a Spanish granulated blast furnace slag (Avilés, Ensidesa) have been studied. Activator solutions used were: deionized water (as reference solution), Ca(OH)2 (3,5∙10-3N), NaOH (1N), Na2CO3 (2N), CaSO4∙2H2O (3,0∙10-3N) at 25ºC. The influence of the nature of alkaline or sulphate solution cation...

  11. Geology and petrology of Lages Alkaline District, Santa Catarina State

    International Nuclear Information System (INIS)

    A 1:100.000 geological map shows the main outcrops, covering about 50 Km2, of the leucocratic alkaline rocks, ultra basic alkaline rocks, carbonatites and volcanic breccias which intruded the Gondwanic sedimentary rocks within a short time interval and characterize the Alkaline District of Lages. Chemical analyses of 33 whole-rock samples confirm the petrographic classification, but the agpaitic indexes, mostly below 1.0, do not reflect the mineralogical variations of the leucocratic alkaline rocks adequately. Partial REE analyses indicate that the light as well as the heavy rare earth contents decrease from the basic to the more evolved rocks, the La/Y ratio remaining approximately constant. Eleven new K/Ar ages from porphyritic nepheline syenites porphyritic phonolites, ultra basic alkaline rocks and pipe-breccias, together with six already available ages, show a major concentration in the range 65 to 75 Ma, with a mode at ca. 70 Ma. But one Rb/Sr whole-rock reference isochron diagram gives an age of 82+-6 Ma for the agpaitic phonolites of the Serra Chapada, which are considered younger than the miaskitic porphyriric nepheline syenites. The 87 Sr/86 Sr ratios of 0.705-0.706 are compatible with a sub continental mantelic origin, devoid of crustal contamination. A petrogenetic model based on subtraction diagrams and taking into consideration the geologic, petrographic, mineralogic and petrochemical characteristics of the alkaline rocks of Lages consists of limited partial melting with CO2, contribution of the previously metasomatized upper mantle, in a region submitted to decompression. (author)

  12. 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.

  13. When can ocean acidification impacts be detected from decadal alkalinity measurements?

    Science.gov (United States)

    Carter, B. R.; Frölicher, T. L.; Dunne, J. P.; Rodgers, K. B.; Slater, R. D.; Sarmiento, J. L.

    2016-04-01

    We use a large initial condition suite of simulations (30 runs) with an Earth system model to assess the detectability of biogeochemical impacts of ocean acidification (OA) on the marine alkalinity distribution from decadally repeated hydrographic measurements such as those produced by the Global Ship-Based Hydrographic Investigations Program (GO-SHIP). Detection of these impacts is complicated by alkalinity changes from variability and long-term trends in freshwater and organic matter cycling and ocean circulation. In our ensemble simulation, variability in freshwater cycling generates large changes in alkalinity that obscure the changes of interest and prevent the attribution of observed alkalinity redistribution to OA. These complications from freshwater cycling can be mostly avoided through salinity normalization of alkalinity. With the salinity-normalized alkalinity, modeled OA impacts are broadly detectable in the surface of the subtropical gyres by 2030. Discrepancies between this finding and the finding of an earlier analysis suggest that these estimates are strongly sensitive to the patterns of calcium carbonate export simulated by the model. OA impacts are detectable later in the subpolar and equatorial regions due to slower responses of alkalinity to OA in these regions and greater seasonal equatorial alkalinity variability. OA impacts are detectable later at depth despite lower variability due to smaller rates of change and consistent measurement uncertainty.

  14. PURIFICATION AND CHARACTERIZATION OF AN EXTRACELLULAR ALKALINE PROTEASE PRODUCED FROM AN ISOLATED BACILLUS SUBTILIS

    Directory of Open Access Journals (Sweden)

    Vijaya Bundela

    2013-03-01

    Full Text Available This paper describes the studies on the purification and partial characterization of serine alkaline protease produced through submerged fermentation process from a locally isolated Bacillus subtilis. This strain, grown in a highly alkaline medium (pH 10, produces an extracellular proteolytic enzyme. The alkaline protease was purified in a simple two-step procedure involving ammonium sulphate precipitation and gel filtration. Sodium dodecyl sulphate polyacrylamide gel electrophoresis (SDS-PAGE analysis of the purified alkaline protease indicated an estimated molecular mass of 30KDa. It was more active in the range of 20-60ºC and had an optimum activity at 55ºC with optimum pH of 10.5. Characterization of the protease showed that it required certain cations such as Mg++, Mn++ and Ca++ for maximal activity. The serine nature of the alkaline protease was confirmed by PMSF inhibition. The temperature and pH stability of this Alkaline Protease from Bacillus Subtilismakes it potentially useful forindustrial applications.

  15. Nucleotide sequences encoding a thermostable alkaline protease

    Science.gov (United States)

    Wilson, David B.; Lao, Guifang

    1998-01-01

    Nucleotide sequences, derived from a thermophilic actinomycete microorganism, which encode a thermostable alkaline protease are disclosed. Also disclosed are variants of the nucleotide sequences which encode a polypeptide having thermostable alkaline proteolytic activity. Recombinant thermostable alkaline protease or recombinant polypeptide may be obtained by culturing in a medium a host cell genetically engineered to contain and express a nucleotide sequence according to the present invention, and recovering the recombinant thermostable alkaline protease or recombinant polypeptide from the culture medium.

  16. Earth\\'s Mass Variability

    OpenAIRE

    Mawad, Ramy

    2014-01-01

    The perturbation of the Earth caused by variability of mass of Earth as additional reason with gravity of celestial bodies and shape of the Earth. The Earth eating and collecting matters from space and loss or eject matters to space through its flying in the space around the Sun. The source of the rising in the global sea level is not closed in global warming and icebergs, but the outer space is the additional important source for this rising. The Earth eats waters from space in unknown mecha...

  17. Discover Earth

    Science.gov (United States)

    Steele, Colleen

    1998-01-01

    Discover Earth is a NASA-sponsored project for teachers of grades 5-12, designed to: (1) enhance understanding of the Earth as an integrated system; (2) enhance the interdisciplinary approach to science instruction; and (3) provide classroom materials that focus on those goals. Discover Earth is conducted by the Institute for Global Environmental Strategies in collaboration with Dr. Eric Barron, Director, Earth System Science Center, The Pennsylvania State University; and Dr. Robert Hudson, Chair, the Department of Meteorology, University of Maryland at College Park. The enclosed materials: (1) represent only part of the Discover Earth materials; (2) were developed by classroom teachers who are participating in the Discover Earth project; (3) utilize an investigative approach and on-line data; and (4) can be effectively adjusted to classrooms with greater/without technology access. The Discover Earth classroom materials focus on the Earth system and key issues of global climate change including topics such as the greenhouse effect, clouds and Earth's radiation balance, surface hydrology and land cover, and volcanoes and climate change. All the materials developed to date are available on line at (http://www.strategies.org) You are encouraged to submit comments and recommendations about these materials to the Discover Earth project manager, contact information is listed below. You are welcome to duplicate all these materials.

  18. Evaluation of hydraulic conductivities of bentonite and rock under hyper alkaline and nitrate conditions (3) (Summary)

    International Nuclear Information System (INIS)

    This report is the summary of JNC-TJ--8400-2005-002. 1) Circumstance of TRU waste repository shows alkaline condition due to leaching of cementitious materials. The waste containing significant soluble nitrate may changes ground water chemistry to high ion strength. Consolidation test and permeability test are carried out in order to as. exchanged with nitrate. It is noted that permeability of bentonite increased at from 40 to 200 times by cation exchange. 2) Permeability of hyper alkaline solution is almost same to water. Permeability of hyper alkaline solution with nitrates increased corresponding to rising ion strength. 3) The results of batch of column test were simulated. The model can explain clearly the results in short period. This can estimate leaching ratio and secondary minerals. The model can simulate the experimental results by two types of velocity theory on altering bentonite. (author)

  19. On the apparent CO2 absorption by alkaline soils

    Directory of Open Access Journals (Sweden)

    X. Chen

    2014-02-01

    Full Text Available Alkaline soils in the Gubantonggut Desert were recently demonstrated socking away large quantities of CO2 in an abiotic form. This demands a better understanding of abiotic CO2 exchange in alkaline sites. Reaction of CO2 with the moisture or dew in the soil was conjectured as a potential mechanism. The main goal of this study is to determine the extent to which the dew deposition modulates Land–Atmosphere CO2 exchange at highly alkaline sites (pH ~ 10. Experiments were conducted at the most barren sites (canopy coverage 2 fluxes were measured using a micro-lysimeters and an automated flux system (LI-COR, Lincoln, Nebraska, USA, respectively. There is an evident increase of dew deposition in nocturnal colder temperatures and decrease in diurnal warmer temperatures. Variations of soil CO2 flux are almost contrary, but the increase in diurnal warmer temperatures is obscure. It was shown that the accumulation and evaporation of dew in the soil motivates the apparent absorption and release of CO2. It was demonstrated that dew amounts in the soil has an exponential relation with the part in Fc beyond explanations of the worldwide utilized Q10 model. Therefore dew deposition in highly alkaline soils exerted a potential CO2 sink and can partly explain the apparent CO2 absorption. This implied a crucial component in the net ecosystem carbon balance (NECB at alkaline sites which occupies approximately 5% of the Earth's land surface (7 million km. Further explorations for its mechanisms and representativeness over other arid climate systems have comprehensive perspectives in the quaternary research.

  20. Development of alkaline fuel cells.

    Energy Technology Data Exchange (ETDEWEB)

    Hibbs, Michael R.; Jenkins, Janelle E.; Alam, Todd Michael; Janarthanan, Rajeswari [Colorado School of Mines, Golden, CO; Horan, James L. [Colorado School of Mines, Golden, CO; Caire, Benjamin R. [Colorado School of Mines, Golden, CO; Ziegler, Zachary C. [Colorado School of Mines, Golden, CO; Herring, Andrew M. [Colorado School of Mines, Golden, CO; Yang, Yuan [Colorado School of Mines, Golden, CO; Zuo, Xiaobing [Argonne National Laboratory, Argonne, IL; Robson, Michael H. [University of New Mexico, Albuquerque, NM; Artyushkova, Kateryna [University of New Mexico, Albuquerque, NM; Patterson, Wendy [University of New Mexico, Albuquerque, NM; Atanassov, Plamen Borissov [University of New Mexico, Albuquerque, NM

    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 Atanassov's research group at the University of New Mexico by utilizing an aerosol-based process to prepare templated nano-structures. Dr. Andy Herring's 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. 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.

  2. Evaluation of hydraulic conductivities of bentonite and rock under hyper alkaline and nitrate conditions (3)

    International Nuclear Information System (INIS)

    Circumstance of TRU waste repository shows alkaline condition due to leaching of cementitious materials. The waste containing significant soluble nitrate may changes ground water chemistry to high ion strength. Consolidation test and permeability test are carried out in order to assess quantitatively permeability of bentonite altered by hyper alkaline and nitrate. Modeling is progressed based on experimental results. The following results are obtained. 1) Consolidation test was carried out in 3 types of bentonite and 30 % sand mixture in which cation exchanged with nitrate. It is noted that permeability of bentonite increased at from 40 to 200 times by cation exchange. 2) Permeability of hyper alkaline solution is almost same to water. Permeability of hyper alkaline solution with nitrates increased corresponding to rising ion strength. 3) The results of batch of column test were simulated. The model can explain clearly the results in short period. This can estimate leaching ratio and secondary minerals. The model can simulate the experimental results by two types of velocity theory on altering bentonite. (author)

  3. Flocculation performance of a cationic biopolymer derived from a cellulosic source in mild aqueous solution.

    Science.gov (United States)

    Liimatainen, Henrikki; Sirviö, Juho; Sundman, Ola; Visanko, Miikka; Hormi, Osmo; Niinimäki, Jouko

    2011-10-01

    The flocculation behavior of cationic, quaternary ammonium groups containing cellulosic biopolymers, CDACs, synthesized by cationizing dialdehyde cellulose in mild aqueous solution was studied in a kaolin suspension. In particular, the role of CDAC dosage and solution pH, NaCl concentration, and temperature were clarified. In addition, the initial apparent charge densities (CDs), particle sizes, ζ-potential, and stability of CDs were determined. CDACs possessed a high flocculation activity in neutral and acidic solutions, but a significant decrease was observed in alkaline solutions (pH >9). This was also seen as a decline in the apparent CD and particle size of the CDACs in alkaline conditions. The measurements also indicated that the apparent CD decreased to a constant level of 3 mmol/g in aqueous solutions. However, no notable decrease in flocculation performance was obtained after several days of storage. Moreover, the variation of NaCl concentration and temperature did not affect the flocculation activity. PMID:21862324

  4. Basalt as a solid source of calcium and alkalinity for the sequestration of carbon dioxide in building materials

    Science.gov (United States)

    Johnson, N. C.; Westfield, I.; Lu, P.; Bourcier, W. L.; Kendall, T.; Constantz, B. R.

    2010-12-01

    Motivated by the idea of converting waste carbon dioxide into usable building products, Calera Corporation has developed a multi-step process that sequesters CO2 as carbonate minerals in cementitious materials. Process inputs include dissolved divalent cations and alkalinity, both of which can be extracted from basalt. In one mode of the Calera process, the electrochemical production of alkalinity generates large volumes of hydrochloric acid as a by-product, which has been shown to effectively leach divalent cations from basalt while being neutralized by the basalt dissolution reaction. Using a 10:1 1M HCl solution to rock ratio, 3500 ppm Ca was extracted while the initial solution was neutralized to a pH of 2.60 in two weeks at a temperature of 80oC in an anoxic batch reactor. In this scenario, mineral carbonation occurs via three steps: electrochemical production of alkalinity, CO2 absorption by the alkaline stream, then precipitation by mixing the basalt-derived divalent cation stream and the CO2-containing alkaline stream. In a second scenario, alkalinity is extracted from basalt using an alkalinity capacitor, a weak acid. This solution may contain a proton source, such as ammonium chloride, or a hydroxyl acceptor, such as boric acid, but the main design constraint is that the pKa of the capacitor be high enough to deprontonate carbonic acid. The weak acid solution is mixed with basalt in an anoxic batch reactor and the dissolving rock consumes protons from the weak acid, generating the conjugate base. The solution rich in conjugate base then absorbs CO2 and the carbonate-rich solution is mixed with a calcium-rich stream to precipitate carbonate minerals. We have extracted up to 1100 mmol alkalinity per kg rock using an alkalinity capacitor, versus no more than 50 mmol alkalinity per kg rock using DI water as a solvent. Again, carbon sequestration occurs via three steps: alkalinity extraction from basalt, CO2 absorption, and finally carbonate precipitation

  5. Earth\\'s Mass Variability

    CERN Document Server

    Mawad, Ramy

    2014-01-01

    The perturbation of the Earth caused by variability of mass of Earth as additional reason with gravity of celestial bodies and shape of the Earth. The Earth eating and collecting matters from space and loss or eject matters to space through its flying in the space around the Sun. The source of the rising in the global sea level is not closed in global warming and icebergs, but the outer space is the additional important source for this rising. The Earth eats waters from space in unknown mechanism. The mass of the Earth become greater in November i.e. before transit apoapsis two months, and become latter in February i.e. after transit apoapsis to two months.

  6. Ce3+/Tb3+ Doped Alkaline-Earth Borate Glasses Employed in Enhanced Solar Cells%增强型太阳能电池用Ce3+/Tb3+掺杂碱土硼酸盐玻璃

    Institute of Scientific and Technical Information of China (English)

    杨朋; 赵昕; 王志强; 林海

    2015-01-01

    Ce3+ and Tb3+ doped alkaline earth borate (LKZBSB) glasses and the photoluminescence properties of glass system have been fabricated and investigated ,and the observed violet and green fluorescences are originated from Ce3+ and Tb3+ emit-ting centers ,respectively .Four emission bands peaked at 487 ,543 ,586 and 621 nm are attributed to the emission transitions 5 D4 → 7 F6 ,5 D4 → 7 F5 ,5 D4 → 7 F4 and 5 D4 → 7 F3 of Tb3+ ,respectively ,and consists of a broad emission band peaking at 389 nm attributed to 5 d→4 f electric dipole allowed transition of Ce3+ .With the introduction of Ce3+ ,the effective excitation wavelength range of Tb3+ in LKZBSB glasses are remarkably expanded ,and the enhanced factor of green fluorescence of Tb3+ in Ce3+ /Tb3+co-doped LKZBSB glasses is up to 73 times in medium-wavelength ultraviolet (UVB) excitation region ,compared with that in Tb3+ single-doped case .The results show that the conversion from ultraviolet (UV) radiation to visible light is efficient in Ce3+ /Tb3+ doped LKZBSB glasses ,demonstrating that the glasses have potential values in developing enhanced solar cell as a conver-sion layer .%制备并研究了Ce3+和Tb3+掺杂碱土硼酸盐(LKZBSB)玻璃及该体系玻璃的光致发光特性,观察到起源于Ce3+和T b3+发光中心的蓝紫色和绿色荧光。波长为487,543,586和621 nm的发射峰分别归属于Tb3+的5D4→7F6,5D4→7F5,5D4→7F4和5D4→7F3发射跃迁,389nm的宽带发射峰归属于Ce3+的5d→4f电偶级允许跃迁。通过Ce3+引入,LKZBSB玻璃中Tb3+可见光发射的有效激发波长范围显著扩大,尤其在中波紫外激发下,Ce3+/T b3+共掺样品中T b3+的绿光发射强度相对于T b3+单掺样品,增强系数高达73倍。结果表明,在Ce3+/Tb3+掺杂LKZBSB玻璃中,紫外辐射可有效转换成可见光,作为光转换层对增强型太阳能电池的研发具有重要的应用价值。

  7. Cationic speciation in nonaqueous media

    International Nuclear Information System (INIS)

    Electronic spectra of solutions of d transition elements in the superacids HF, H2SO4, HSO3F, and CF3SO3H and in chloroaluminate melts indicate that in acidic monaqueous media the elements are present as solvated cations, whereas in basic media the speciation is anionic, the same situation as in aqueous solutions. Further, in very highly acidic media, cations in very low oxidation states are stable (e.g., Ti2+), but these disproportionate on addition of base to the system. In this paper spectra, where available, of U, Np, and Pu in oxidation states III and IV in aqueous media, in protonic superacids, and in chloroaluminates are presented to postulate cationic speciation of these early actinides in highly acidic media

  8. Petrogenesis of coeval silica-saturated and silica-undersaturated alkaline rocks: Mineralogical and geochemical evidence from the Saima alkaline complex, NE China

    Science.gov (United States)

    Zhu, Yu-Sheng; Yang, Jin-Hui; Sun, Jin-Feng; Zhang, Ji-Heng; Wu, Fu-Yuan

    2016-03-01

    A combined study of zircon U-Pb ages, mineral chemistry, whole-rock elements and Sr-Nd-Hf isotopes was carried out for the Saima alkaline complex in the northeastern China, in order to investigate the source and petrogenesis of coeval silica-saturated and silica-undersaturated alkaline rocks. The Saima alkaline complex consists of nepheline syenites, quartz-bearing syenites and alkaline volcanic rocks (i.e., phonolite and trachyte), with minor mafic dikes and carbonatitic veins. Laser ablation inductively coupled plasma mass spectrometry (LA-ICPMS) and secondary ion mass spectrometry (SIMS) zircon U-Pb dating gives consistent ages of 230-224 Ma for these rocks, suggesting that they are coeval. All alkaline rocks in the Saima complex are enriched in large ion lithophile elements (LILEs) and light rare earth elements (LREEs), and depleted in high field strength elements (HFSEs) with significant negative Nb, Ta and Ti anomalies. Geochemical data and Sr-Nd-Hf isotopic compositions indicate that the various alkaline rocks were all derived from partial melting of an ancient, re-enriched lithospheric mantle in the garnet stability field, but experienced variable siliceous- or carbonate-rich crustal contamination. Based on petrographic evidence, mineral compositions, and whole-rock geochemical data, two distinct magmatic evolutionary trends are proposed to explain the coeval emplacement of the various rock types within the Saima alkaline complex. The silica-undersaturated rocks (nepheline syenites and phonolites) result from alkali feldspar + apatite + titanite crystal fractionation of an alkaline mafic parental melt combined with assimilation of marine carbonate host rocks. In contrast, the generation of silica-saturated rocks (quartz-bearing syenites and trachytes) may be attributed to subsequent and continued clinopyroxene + apatite + biotite crystal fractionation coupled with assimilation of siliceous sediments.

  9. Separation of rare earths from solutions of phosphoric acid

    International Nuclear Information System (INIS)

    Rare earths are separated from 6M phosphoric acid by adsorption onto cation resin BIORAD AG50W-X8. The phosphoric acid is then washed from the column, and the rare earths are eluted with 4M hydrochloric acid

  10. Alkaline fuel cell performance investigation

    Science.gov (United States)

    Martin, R. E.; Manzo, M. A.

    1988-01-01

    An exploratory experimental fuel cell test program was conducted to investigate the performance characteristics of alkaline laboratory research electrodes. The objective of this work was to establish the effect of temperature, pressure, and concentration upon performance and evaluate candidate cathode configurations having the potential for improved performance. The performance characterization tests provided data to empirically establish the effect of temperature, pressure, and concentration upon performance for cell temperatures up to 300 F and reactant pressures up to 200 psia. Evaluation of five gold alloy cathode catalysts revealed that three doped gold alloys had more that two times the surface areas of reference cathodes and therefore offered the best potential for improved performance.

  11. Red-emitting alkaline-earth rare-earth pentaoxometallates powders prepared by metal carboxylates solution

    Indian Academy of Sciences (India)

    Kyu-Seog Hwang; Sung-Dae Kim; Seung Hwangbo; Jin-Tae Kim

    2013-06-01

    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 europium-2-ethylhexanoate were dissolved with toluene to prepare starting solution. Precursor pyrolyzed at 500 °C for 240 min was finally annealed at 900–1200 °C for 240 min in Ar. X-ray diffraction analysis, field emission–scanning electron microscope and fluorescent spectrophotometer were used to evaluate structural and optical properties. For the 1000 °C-annealed powders with regular shape and narrow size distribution confirmed by FE–SEM observation, strong red emission at 615nm under the excitation of 395nm maximum was reached, then the higher annealed samples at above 1100 °C gave the lower emission intensities.

  12. Research progress in cation-π interactions

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    Cation-π interaction is a potent intermolecular interaction between a cation and an aromatic system,which has been viewed as a new kind of binding force,as being compared with the classical interactions(e.g. hydrogen bonding,electrostatic and hydrophobic interactions). Cation-π interactions have been observed in a wide range of biological contexts. In this paper,we present an overview of the typical cation-π interactions in biological systems,the experimental and theoretical investigations on cation-π interactions,as well as the research results on cation-π interactions in our group.

  13. Research progress in cation-π interactions

    Institute of Scientific and Technical Information of China (English)

    CHENG JiaGao; LUO XiaoMin; YAN XiuHua; LI Zhong; TANG Yun; JIANG HuaLiang; ZHU WeiLiang

    2008-01-01

    Cation-π interaction is a potent intermolecular interaction between a cation and an aromatic system, which has been viewed as a new kind of binding force, as being compared with the classical interac-tions (e.g. hydrogen bonding, electrostatic and hydrophobic interactions). Cation-π interactions have been observed in a wide range of biological contexts. In this paper, we present an overview of the typi-cal cation-π interactions in biological systems, the experimental and theoretical investigations on cation-π interactions, as well as the research results on cation-π interactions in our group.

  14. Methylene blue adsorption of GMZ bentonite and the effect of hyper-alkaline solution erosion

    International Nuclear Information System (INIS)

    The method of combining the halo method with the spectrometer method, was used to study on the Methylene blue (MB) adsorption of Gaomiaozi (GMZ) bentonite, which had been eroded by hyper-alkaline solution, to investigate the mechanism of the effect of hyper-alkaline pore water on the buffer/backfill properties of GMZ bentonite. Results present, method employed in this article is brief and feasible, and high accuracy; The total specific surface area calculated by the test of MB adsorption is more accurate than the method of ethylene glycol monomethyl ether (EGIVIE). The MB adsorption of samples, which had been eroded by hyper-alkaline solution, decreases with the increase of the concentration of hyper-alkaline solution, and the change law agrees with the variation of the mass percentage of montmorillonite in bentonite tested by X- Ray diffraction (XRD). Therefore, the erosion of hyper-alkaline pore water might dissolve montmorillonite, which is the effective composition of bentonite, and destroy the tetrahedron- octahedron-tetrahedron (T-O-T) structure of montmorillonite, then lead to the decrease of cation exchange capability and the specific surface area of montmorillonite, and the the macroscopic expressions are the decrease of MB adsorption, the swelling potential and the increase of permeability. (authors)

  15. Alkaline Water and Longevity: A Murine Study.

    Science.gov (United States)

    Magro, Massimiliano; Corain, Livio; Ferro, Silvia; Baratella, Davide; Bonaiuto, Emanuela; Terzo, Milo; Corraducci, Vittorino; Salmaso, Luigi; Vianello, Fabio

    2016-01-01

    The biological effect of alkaline water consumption is object of controversy. The present paper presents a 3-year survival study on a population of 150 mice, and the data were analyzed with accelerated failure time (AFT) model. Starting from the second year of life, nonparametric survival plots suggest that mice watered with alkaline water showed a better survival than control mice. Interestingly, statistical analysis revealed that alkaline water provides higher longevity in terms of "deceleration aging factor" as it increases the survival functions when compared with control group; namely, animals belonging to the population treated with alkaline water resulted in a longer lifespan. Histological examination of mice kidneys, intestine, heart, liver, and brain revealed that no significant differences emerged among the three groups indicating that no specific pathology resulted correlated with the consumption of alkaline water. These results provide an informative and quantitative summary of survival data as a function of watering with alkaline water of long-lived mouse models.

  16. Earth materials and earth dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Bennett, K; Shankland, T. [and others

    2000-11-01

    In the project ''Earth Materials and Earth Dynamics'' we linked fundamental and exploratory, experimental, theoretical, and computational research programs to shed light on the current and past states of the dynamic Earth. Our objective was to combine different geological, geochemical, geophysical, and materials science analyses with numerical techniques to illuminate active processes in the Earth. These processes include fluid-rock interactions that form and modify the lithosphere, non-linear wave attenuations in rocks that drive plate tectonics and perturb the earth's surface, dynamic recrystallization of olivine that deforms the upper mantle, development of texture in high-pressure olivine polymorphs that create anisotropic velocity regions in the convecting upper mantle and transition zone, and the intense chemical reactions between the mantle and core. We measured physical properties such as texture and nonlinear elasticity, equation of states at simultaneous pressures and temperatures, magnetic spins and bonding, chemical permeability, and thermal-chemical feedback to better characterize earth materials. We artificially generated seismic waves, numerically modeled fluid flow and transport in rock systems and modified polycrystal plasticity theory to interpret measured physical properties and integrate them into our understanding of the Earth. This is the final report of a three-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL).

  17. Grace DAKASEP alkaline battery separator

    Science.gov (United States)

    Giovannoni, R. T.; Lundquist, J. T.; Choi, W. M.

    1987-01-01

    The Grace DAKASEP separator was originally developed as a wicking layer for nickel-zinc alkaline batteries. The DAKASEP is a filled non-woven separator which is flexible and heat sealable. Through modification of formulation and processing variables, products with a variety of properties can be produced. Variations of DAKASEP were tested in Ni-H2, Ni-Zn, Ni-Cd, and primary alkaline batteries with good results. The properties of DAKASEP which are optimized for Hg-Zn primary batteries are shown in tabular form. This separator has high tensile strength, 12 micron average pore size, relatively low porosity at 46-48 percent, and consequently moderately high resistivity. Versions were produced with greater than 70 percent porosity and resistivities in 33 wt percent KOH as low as 3 ohm cm. Performance data for Hg-Zn E-1 size cells containing DAKASEP with the properties shown in tabular form, are more reproducible than data obtained with a competitive polypropylene non-woven separator. In addition, utilization of active material is in general considerably improved.

  18. Tripodal Receptors for Cation and Anion Sensors

    NARCIS (Netherlands)

    Kuswandi, Bambang; Nuriman,; Verboom, Willem; Reinhoudt, David N.

    2006-01-01

    This review discusses different types of artificial tripodal receptors for the selectiverecognition and sensing of cations and anions. Examples on the relationship between structure andselectivity towards cations and anions are described. Furthermore, their applications as potentiometricion sensing

  19. Features definition exchange cations in sedimentary rocks.

    OpenAIRE

    Bilec'ka V.A.

    2008-01-01

    The research method of determination of exchange cations in calcareous sedimentary rocks of different extractants, the influence of the ratio between the solid and liquid phases on extrusion exchange cations.

  20. Features definition exchange cations in sedimentary rocks.

    Directory of Open Access Journals (Sweden)

    Bilec'ka V.A.

    2008-05-01

    Full Text Available The research method of determination of exchange cations in calcareous sedimentary rocks of different extractants, the influence of the ratio between the solid and liquid phases on extrusion exchange cations.

  1. Block copolymers for alkaline fuel cell membrane materials

    Science.gov (United States)

    Li, Yifan

    Alkaline fuel cells (AFCs) using anion exchange membranes (AEMs) as electrolyte have recently received considerable attention. AFCs offer some advantages over proton exchange membrane fuel cells, including the potential of non-noble metal (e.g. nickel, silver) catalyst on the cathode, which can dramatically lower the fuel cell cost. The main drawback of traditional AFCs is the use of liquid electrolyte (e.g. aqueous potassium hydroxide), which can result in the formation of carbonate precipitates by reaction with carbon dioxide. AEMs with tethered cations can overcome the precipitates formed in traditional AFCs. Our current research focuses on developing different polymer systems (blend, block, grafted, and crosslinked polymers) in order to understand alkaline fuel cell membrane in many aspects and design optimized anion exchange membranes with better alkaline stability, mechanical integrity and ionic conductivity. A number of distinct materials have been produced and characterized. A polymer blend system comprised of poly(vinylbenzyl chloride)-b-polystyrene (PVBC-b-PS) diblock copolymer, prepared by nitroxide mediated polymerization (NMP), with poly(2,6-dimethyl-1,4-phenylene oxide) (PPO) or brominated PPO was studied for conversion into a blend membrane for AEM. The formation of a miscible blend matrix improved mechanical properties while maintaining high ionic conductivity through formation of phase separated ionic domains. Using anionic polymerization, a polyethylene based block copolymer was designed where the polyethylene-based block copolymer formed bicontinuous morphological structures to enhance the hydroxide conductivity (up to 94 mS/cm at 80 °C) while excellent mechanical properties (strain up to 205%) of the polyethylene block copolymer membrane was observed. A polymer system was designed and characterized with monomethoxy polyethylene glycol (mPEG) as a hydrophilic polymer grafted through substitution of pendent benzyl chloride groups of a PVBC

  2. Cationic electrodepositable coating composition comprising lignin

    Science.gov (United States)

    Fenn, David; Bowman, Mark P; Zawacky, Steven R; Van Buskirk, Ellor J; Kamarchik, Peter

    2013-07-30

    A cationic electrodepositable coating composition is disclosed. The present invention in directed to a cationic electrodepositable coating composition comprising a lignin-containing cationic salt resin, that comprises (A) the reaction product of: lignin, an amine, and a carbonyl compound; (B) the reaction product of lignin, epichlorohydrin, and an amine; or (C) combinations thereof.

  3. Alkaline azide mutagenicity in cowpea

    International Nuclear Information System (INIS)

    Sodium azide is known as a potent mutagen in cereals and legumes. It is very effective in acidic medium in barley. Here an attempt is made to measure the effectiveness of sodium azide in alkaline medium (pH 7.4) on cowpea (Vigna unguiculata (L.) Walp., variety FS-68). Seeds pre-soaked in distilled water for 5 hours were treated with different concentrations (10-6, 10-5, 10-4 and 10-3M) of sodium azide (NaN3) for 4 hours at 28± 2 deg. C. Bottles were intermittently shaken, then the seeds were thoroughly washed in running tap water and subsequently planted in pots. The treatment caused significant biological damage such as reduction in seed germination, length of root and shoot, number of nodules and pods per plant and morphological leaf variations. Morphological, as well as chlorophyll mutants, were detected in M2

  4. Organometallic cation-exchanged phyllosilicates

    OpenAIRE

    Fleming, Shay

    1991-01-01

    Organotin (IV) complexes formed between 0 01 M dimethyltin dichloride solutions prepared at pH 2 6 and 4 0, and trimethyltin chloride prepared at pH 3 4, with Na- 119 montmori 1lonite clay have been characterised using Sn Mflssbauer spectroscopy, X-ray diffraction, thermogravimetric analysis and water sorption isotherms Following cation exchange, Mttssbauer spectroscopy identified two tin species in the dimethyltin (IV)-exchanged clay prepared at pH 2 6 A cis specie...

  5. BaClSCN and Na{sub 4}Mg(SCN){sub 6}: two new thiocyanates of the alkaline earth metals; BaClSCN und Na{sub 4}Mg(SCN){sub 6}: zwei neue wasserfreie Thiocyanate der Erdalkalimetalle

    Energy Technology Data Exchange (ETDEWEB)

    Wickleder, C.; Larsen, P. [Koeln Univ. (Germany). Inst. fuer Anorganische Chemie

    2001-06-01

    The reaction of BaCl{sub 2} and NaSCN yielded single crystals of BaClSCN (P 2{sub 1}/m, Z = 2, a = 588.6(1) pm, b = 465.8(1) pm, c = 864.4(2) pm, {beta} = 100.20(3) , R{sub all} = 0.0214). According to X-ray single crystal investigations, the structure consists of anionic SCN{sup -} and Cl{sup -} layers, respectively, alternating in [001] direction. The SCN{sup -}-ions are connected via the N and the S atoms to the cations. Na{sub 4}Mg(SCN){sub 6} (P anti 31c, Z = 2, a = 863.8(1) pm, c = 1399.3(2) pm, R{sub all} = 0.0870), which was obtained from a melt of NaSCN and MgCl{sub 2}, consists of anionic layers with the cations between the sheets. The holes are filled alternatingly by Na{sup +} or Na{sup +} and Mg{sup 2+}. Regarding only the C-atoms of the SCN{sup -} group, the structure can be described as a hexagonal closest packing with the cations occupying 5/6 of the octahedral voids. (orig.)

  6. Digital Earth - A sustainable Earth

    Science.gov (United States)

    Mahavir

    2014-02-01

    All life, particularly human, cannot be sustainable, unless complimented with shelter, poverty reduction, provision of basic infrastructure and services, equal opportunities and social justice. Yet, in the context of cities, it is believed that they can accommodate more and more people, endlessly, regardless to their carrying capacity and increasing ecological footprint. The 'inclusion', for bringing more and more people in the purview of development is often limited to social and economic inclusion rather than spatial and ecological inclusion. Economic investment decisions are also not always supported with spatial planning decisions. Most planning for a sustainable Earth, be at a level of rural settlement, city, region, national or Global, fail on the capacity and capability fronts. In India, for example, out of some 8,000 towns and cities, Master Plans exist for only about 1,800. A chapter on sustainability or environment is neither statutorily compulsory nor a norm for these Master Plans. Geospatial technologies including Remote Sensing, GIS, Indian National Spatial Data Infrastructure (NSDI), Indian National Urban Information Systems (NUIS), Indian Environmental Information System (ENVIS), and Indian National GIS (NGIS), etc. have potential to map, analyse, visualize and take sustainable developmental decisions based on participatory social, economic and social inclusion. Sustainable Earth, at all scales, is a logical and natural outcome of a digitally mapped, conceived and planned Earth. Digital Earth, in fact, itself offers a platform to dovetail the ecological, social and economic considerations in transforming it into a sustainable Earth.

  7. The importance of being alkaline

    OpenAIRE

    M. J. Russell

    2003-01-01

    The earliest forms of "protolife" on Earth must have been able to reproduce and replicate; it is likely that they were also cellular. How might such systems have formed? In his Perspective, Russell highlights the report by Hanczyc et al., who show that clay particles can catalyze the formation of lipid vesicles. These particles also adsorb RNA. If the vesicles are forced to divide, RNA is distributed among the daughter vesicles. Similar conditions to those used in the experiments may have exi...

  8. Use of natural mordenite to remove chromium (III) and to neutralize pH of alkaline waste waters.

    Science.gov (United States)

    Córdova-Rodríguez, Valduvina; Rodríguez-Iznaga, Inocente; Acosta-Chávez, Raquel María; Chávez-Rivas, Fernando; Petranovskii, Vitalii; Pestryakov, Alexey

    2016-01-01

    The natural mordenite from Palmarito de Cauto deposit (PZ), Cuba, was studied in this work as an ion exchanger to remove Cr(3+) cations from alkaline aqueous solutions at different pH and chromium concentrations. The mordenite stability under cyclic treatment processes with alkaline solutions and its capacity to decrease the pH of the solutions was also analyzed. It was shown that PZ removes Cr(3+) ions from alkaline solutions, and it happens independently of the starting chromium concentration and the pH of the exchange solution used. This material has an important neutralizing effect on alkaline solutions, expressed in a significant pH decrease from the early stages of the treatments. For solutions with initial pH equal to 11, it decreases to a value of around seven. The stability of this material is not affected significantly after continuous cyclic treatment with NaOH solution, which shows that mordenite, in particular from Palmarito de Cauto deposit, has high stability in alkaline solutions. The results are important as they suggest that natural zeolites may be of interest in treatments of alkaline industrial waste effluents. PMID:26818904

  9. Ergot alkaloids in rye flour determined by solid-phase cation-exchange and high-pressure liquid chromatography with fluorescence detection

    DEFF Research Database (Denmark)

    Storm, Ida Marie Lindhardt Drejer; Rasmussen, Peter Have; Strobel, B.W.;

    2008-01-01

    Ergot alkaloids are mycotoxins that are undesirable contaminants of cereal products, particularly rye. A method was developed employing clean-up by cation-exchange solid-phase extraction, separation by high-performance liquid chromatography under alkaline conditions and fluorescence detection...

  10. Use of laser induced photoacoustic spectroscopy (LIPAS) to determine equilibrium constants of cation-cation complexes

    International Nuclear Information System (INIS)

    Laser Induced PhotoAcoustic Spectroscopy (LIPAS) is a relatively new, photothermal technique to examine solutions. Studies in the past have shown it to be more sensitive than conventional absorption spectroscopy, while, yielding the same information thus allowing lower concentrations to be used. This study is using LIPAS to examine solutions to determine the equilibrium constants of cation-cation complexes. It has been found that actinyl(V) cations form cation-cation complexes with a variety of cations, including actinyl(VI) cations. The radioactive nature of the actinide elements requires special handling techniques and also require limits be placed on the amount of material that can be used. The sensitivity of some oxidation states of the actinides to oxygen also presents a problem. Preliminary results will be presented for actinyl(V)-actinyl(VI) cation-cation complexes that were studied using a remote LIPAS system incorporating fiber optics for transmission of laser signals

  11. The Free Tricoordinated Silyl Cation Problem

    Directory of Open Access Journals (Sweden)

    Čičak, H.

    2010-03-01

    Full Text Available As the importance and abundance of silicon in our environment is large, it has been thought that silicon might take the place of carbon in forming a host of similar compounds and silicon-based life. However, until today there is no experimental evidence for such a hypothesis and carbon is still unique among the elements in the vast number and variety of compounds it can form. Also, the corresponding derivatives of the two elements show considerable differences in their chemical properties.The essential debate concerning organosilicon chemistry relates to the existence of the free planar tricoordinated silyl cations in condensed phase (R3Si+, in analogy to carbocations (R3C+ which have been known and characterized as free species. Although silyl cations are thermodynamically more stable than their carbon analogs, they are very reactive due to their high inherent electrophilicity and the ability of hypervalent coordination. On the other hand, stabilization by inductive and hyperconjugative effects and larger steric effects of carbocations make them less sensitive to solvation or other environmental effects than silyl cations. Hence, observation of free silyl cations in the condensed phase proved extremely difficult and the actual problem is the question of the degree of the (remaining silyl cation character.The first free silyl cation, trimesitylsilyl cation, and in analogy with it tridurylsilyl cation, were synthesized by Lambert et al. Free silyl cations based on analogy to aromatic ions (homocyclopropenylium and tropylium have also been prepared. However, in these silyl cations the cationic character is reduced by internal π -conjugation. Čičak et al. prepared some silyl-cationic intermediates (Me3Si--CH≡CR+in solid state. With the help of quantum-mechanical calculations it was concluded that these adducts have much more silyl cation than carbocation character.

  12. Inorganic-organic separators for alkaline batteries

    Science.gov (United States)

    Sheibley, D. W. (Inventor)

    1978-01-01

    A flexible separator is reported for use between the electrodes of Ni-Cd and Ni-Zn batteries using alkaline electrolytes. The separator was made by coating a porous substrate with a battery separator composition. The coating material included a rubber-based resin copolymer, a plasticizer and inorganic and organic fillers which comprised 55% by volume or less of the coating as finally dried. One or more of the filler materials, whether organic or inorganic, is preferably active with the alkaline electrolyte to produce pores in the separator coating. The plasticizer was an organic material which is hydrolyzed by the alkaline electrolyte to improve conductivity of the separator coating.

  13. Electrochemical ion exchanger in the water circuit to measure cation conductivity

    Energy Technology Data Exchange (ETDEWEB)

    Bengtsson, Bernt; Ingemarsson, Rolf; Settervik, Gustav [Ringhals AB, Vaeroebacka (Sweden); Velin, Anna [Vattenfall Research and Development AB, Stockholm (Sweden)

    2011-03-15

    At Ringhals Nuclear Power Plant (NPP), more than four years of successful operation with a full-scale electrode ionization (EDI) unit for the recycling of steam generator blowdown gave the inspiration to modify and scale down this EDI process. As part of this project, the possibility of replacing the cation exchanger columns used for cation conductivity analysis with some small and integrated electrochemical ion exchange cells was explored. Monitoring the cation conductivity requires the use of a small cation resin column upstream of the conductivity probe and is one of the most important analyses at power plants. However, when operating with high alkaline treatment in the steam circuit, there is the disadvantage of rapid exhaustion of the resins, necessitating frequent replacement or regeneration. This causes interruptions in the monitoring and gives rise to a high workload for the maintenance staff. This paper reports on the optimization and testing of two different two-compartment electrochemical cells for possible replacement of the cation resin columns for analyzing cation conductivity in the secondary steam circuit at Ringhals NPP. Field tests during start-up conditions and more than four months of steady operation together with real and simulated tests for impurity influences indicate that an electrical ion exchange (ELIX) process could be successfully used to replace the resin columns in Ringhals while operating with high-pH all-volatile treatment (AVT) using hydrazine and ammonia. Installation of an ELIX system downstream of a particle filter and upstream of a small cation resin column will introduce additional safety and further reduce the maintenance and possible interruptions. Performance of the ELIX process together with other chemical additives (morpholine, ethanolamine, 3-methoxypropylamine, dimethylamine) and dispersants may be further evaluated to qualify the ELIX process as well as steam generator blowdown electrodeionization for wider use in

  14. Amphibole-melt trace element partitioning of fractionating calc-alkaline magmas in the lower crust: an experimental study

    Science.gov (United States)

    Nandedkar, Rohit H.; Hürlimann, Niklaus; Ulmer, Peter; Müntener, Othmar

    2016-09-01

    Amphibole is one of the most important hydrous minerals of the middle and lower continental crust and plays a key role in the formation of intermediate to silica-rich magmas. This study reports a consistent set of amphibole trace element partition coefficients derived from fractional crystallization experiments at 0.7 GPa in a piston cylinder apparatus. Starting materials were doped with trace elements on the 20-40 ppm level and measured using laser ablation (LA)-ICP-MS. Amphibole is stable from 1010 to 730 °C and systematically changes its composition from pargasite to magnesiohornblende to cummingtonite, while coexisting liquids vary from andesite to dacite and rhyolite. Amphibole-liquid partition coefficients increase systematically with decreasing temperature and increasing SiO2 in the liquid. Potassium displays an inverse behavior and partitioning decreases with decreasing temperature. Rare earth element (REE) partition coefficients, assumed to occupy the M4 site within the amphibole structure, increase continuously up to one order of magnitude. The calculated lattice parameters, ideal cation radius ( r 0) and Young's modulus ( E) remain nearly constant with decreasing temperature. The high-field strength elements Zr and Hf that occupy the M2 site of the amphibole structure reveal a fivefold increase in partition coefficients with decreasing temperature and constant lattice parameters r 0 and E. Partition coefficients correlate with edenite, tschermaks and cummingtonite exchange vectors indicating that the maximum partition coefficient ( D 0) for an ideal cation radius increases with decreasing edenite component, while the latter decreases linearly with temperature. Regressing Amph/L D Ca against trace elements results in fair to excellent correlations ( r 2 0.55-0.99) providing a predictive tool to implement the trace element partition coefficients in numerical geochemical modeling. Our data result in positive correlations between Amph/L D Nb/Ta and Amph/L D

  15. Crystal structure of hydrogen-bearing vuonnemite from the Lovozero alkaline massif

    International Nuclear Information System (INIS)

    Hydrogen-bearing vuonnemite from the Shkatulka hyperagpaitic pegmatite (the Lovozero alkaline massif, Kola Peninsula) was studied by single-crystal X-ray diffraction. The triclinic unit-cell parameters are as follows: a = 5.4712(1) Å, b = 7.1626(1) Å, c = 14.3702(3) Å, α = 92.623(2)°, β = 95.135(1)°, γ = 90.440(1)°, sp. gr. P1, R = 3.4%. The Na+ cations and H2O molecules are ordered in sites between the packets. The water molecules are hydrogen bonded to the PO4 tetrahedra.

  16. Ergot alkaloids in rye flour determined by solid phase cation-exchange and high pressure liquid chromatography with fluorescence detection

    OpenAIRE

    Storm, Ida Drejer; Have Rasmussen, Peter; Strobel, Bjarne W.; Hansen, Hans Christian Bruun

    2008-01-01

    Abstract Ergot alkaloids (EAs) are mycotoxins which are unavoidable contaminants of cereal products, particularly rye. A method was compiled employing clean-up by cation-exchange solid phase extraction, separation by high-pressure liquid chromatography under alkaline conditions and fluorescence detection. It is capable of separating and quantifying both C8-isomers of ergocornine, a-ergocryptine, ergocristine, ergonovine, and ergotamine. The average recovery was 61?10 % with limits ...

  17. Real-time materials evolution visualized within intact cycling alkaline batteries

    Energy Technology Data Exchange (ETDEWEB)

    Gallaway, JW; Erdonmez, CK; Zhong, Z; Croft, M; Sviridov, LA; Sholklapper, TZ; Turney, DE; Banerjee, S; Steingart, DA

    2014-01-01

    The scientific community has focused on the problem of inexpensive, safe, and sustainable large-scale electrical energy storage, which is needed for a number of emerging societal reasons such as stabilizing intermittent renewables-based generation like solar and wind power. The materials used for large-scale storage will need to be low cost, earth-abundant, and safe at the desired scale. The Zn-MnO2 "alkaline" battery chemistry is associated with one-time use, despite being rechargeable. This is due to material irreversibilities that can be triggered in either the anode or cathode. However, as Zn and MnO2 have high energy density and low cost, they are economically attractive even at limited depth of discharge. As received, a standard bobbin-type alkaline cell costs roughly $20 per kW h. The U. S. Department of Energy ARPA-E $100 per kW h cost target for grid storage is thus close to the cost of alkaline consumer primary cells if re-engineered and/or cycled at 5-20% nominal capacity. Herein we use a deeply-penetrating in situ technique to observe ZnO precipitation near the separator in an alkaline cell anode cycled at 5% DOD, which is consistent with cell failures observed at high cycle life. Alkaline cells designed to avoid such causes of cell failure could serve as a low-cost baseload for large-scale storage.

  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

    2016-09-01

    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.

  19. Technetium recovery from high alkaline solution

    Science.gov (United States)

    Nash, Charles A.

    2016-07-12

    Disclosed are methods for recovering technetium from a highly alkaline solution. The highly alkaline solution can be a liquid waste solution from a nuclear waste processing system. Methods can include combining the solution with a reductant capable of reducing technetium at the high pH of the solution and adding to or forming in the solution an adsorbent capable of adsorbing the precipitated technetium at the high pH of the solution.

  20. Alkaline tolerant dextranase from streptomyces anulatus

    Science.gov (United States)

    Decker, Stephen R.; Adney, William S.; Vinzant, Todd B.; Himmel, Michael E.

    2003-01-01

    A process for production of an alkaline tolerant dextranase enzyme comprises culturing a dextran-producing microorganism Streptomyces anulatus having accession no. ATCC PTA-3866 to produce an alkaline tolerant dextranase, Dex 1 wherein the protein in said enzyme is characterized by a MW of 63.3 kDa and Dex 2 wherein its protein is characterized by a MW of 81.8 kDa.

  1. Alkaline regenerative fuel cell systems for energy storage

    Science.gov (United States)

    Schubert, F. H.; Reid, M. A.; Martin, R. E.

    1981-01-01

    A description is presented of the results of a preliminary design study of a regenerative fuel cell energy storage system for application to future low-earth orbit space missions. The high energy density storage system is based on state-of-the-art alkaline electrolyte cell technology and incorporates dedicated fuel cell and electrolysis cell modules. In addition to providing energy storage, the system can provide hydrogen and oxygen for attitude control of the satellite and for life support. During the daylight portion of the orbit the electrolysis module uses power provided by the solar array to generate H2 and O2 from the product water produced by the fuel cell module. The fuel cell module supplies electrical power during the dark period of the orbit.

  2. Rare earths

    International Nuclear Information System (INIS)

    General mineralogical-geochemical and analytical characteristics of (lanthanides and yttrium) are presented. It is pointed out that individual RE in complex chemical composition samples are successfully determined by physical methods of the analysis (emission spectral method, spark mass spectrometry method, neutron + activation analysis). RE sum determination is performed by spectrophotometric titrimetric or gravimetric methods. Principal methods of RE separation and concentration, methods of analytical samples dissolution are considered. Detailed descriptions of some specific techniques of determining rare earths in rocks, ores and minerals are presented

  3. Afrikaans Syllabification Patterns

    Directory of Open Access Journals (Sweden)

    Tilla Fick

    2010-01-01

    Full Text Available In contrast to English, automatic hyphenation by computer of Afrikaans words is a problem that still needs to be addressed, since errors are still often encountered in printed text. An initial step in this task is the ability to automatically syllabify words. Since new words are created continuously by joining words, it is necessary to develop an “intelligent” technique for syllabification. As a first phase of the research, we consider only the orthographic information of words, and disregard both syntactic and morphological information. This approach allows us to use machine-learning techniques such as artificial neural networks and decision trees that are known for their pattern recognition abilities. Both these techniques are trained with isolated patterns consisting of input patterns and corresponding outputs (or targets that indicate whether the input pattern should be split at a certain position, or not. In the process of compiling a list of syllabified words from which to generate training data for the  syllabification problem, irregular patterns were identified. The same letter patterns are split differently in different words and complete words that are spelled identically are split differently due to meaning. We also identified irregularities in and between  the different dictionaries that we used. We examined the influence range of letters that are involved in irregularities. For example, for their in agter-ente and vaste-rente we have to consider three letters to the left of r to be certain where the hyphen should be inserted. The influence range of the k in verstek-waarde and kleinste-kwadrate is four to the left and three to the right. In an analysis of letter patterns in Afrikaans words we found that the letter e has the highest frequency overall (16,2% of all letters in the word list. The frequency of words starting with s is the highest, while the frequency of words ending with e is the highest. It is important to

  4. Improved electrodes and gas impurity investigations on alkaline electrolysers

    DEFF Research Database (Denmark)

    Reissner, R.; Schiller, G.; Knoeri, T.;

    Alkaline water electrolysis for hydrogenproduction is a well-established techniquebut some technological issues regarding thecoupling of alkaline water electrolysis andRenewable Energy Sources (RES) remain tobe improved.......Alkaline water electrolysis for hydrogenproduction is a well-established techniquebut some technological issues regarding thecoupling of alkaline water electrolysis andRenewable Energy Sources (RES) remain tobe improved....

  5. 21 CFR 864.7660 - Leukocyte alkaline phosphatase test.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Leukocyte alkaline phosphatase test. 864.7660... Leukocyte alkaline phosphatase test. (a) Identification. A leukocyte alkaline phosphatase test is a device used to identify the enzyme leukocyte alkaline phosphatase in neutrophilic granulocytes...

  6. Localization versus delocalization in diamine radical cations

    DEFF Research Database (Denmark)

    Brouwer, A.M.; Wiering, P.G.; Zwier, J.M.;

    1997-01-01

    The optical absorption spectrum of the radical cation of 1,4-diphenylpiperazine 2a shows a strong transition in the near-IR, and only a weak band at 445 nm, in the region where aniline radical cations normally absorb strongly. This indicates that the charge and spin are delocalized over the two...

  7. Tripodal Receptors for Cation and Anion Sensors

    Directory of Open Access Journals (Sweden)

    David N. Reinhoudt

    2006-08-01

    Full Text Available This review discusses different types of artificial tripodal receptors for the selectiverecognition and sensing of cations and anions. Examples on the relationship between structure andselectivity towards cations and anions are described. Furthermore, their applications as potentiometricion sensing are emphasised, along with their potential applications in optical sensors or optodes.

  8. Prophylactic treatment with alkaline phosphatase in cardiac surgery induces endogenous alkaline phosphatase release

    NARCIS (Netherlands)

    Kats, Suzanne; Brands, Ruud; Hamad, Mohamed A. Soliman; Seinen, Willem; Schamhorst, Volkher; Wulkan, Raymond W.; Schoenberger, Jacques P.; van Oeveren, Wim

    2012-01-01

    Introduction: Laboratory and clinical data have implicated endotoxin as an important factor in the inflammatory response to cardiopulmonary bypass. We assessed the effects of the administration of bovine intestinal alkaline phosphatase (bIAP), an endotoxin detoxifier, on alkaline phosphatase levels

  9. Cationic Bolaamphiphiles for Gene Delivery

    Science.gov (United States)

    Tan, Amelia Li Min; Lim, Alisa Xue Ling; Zhu, Yiting; Yang, Yi Yan; Khan, Majad

    2014-05-01

    Advances in medical research have shed light on the genetic cause of many human diseases. Gene therapy is a promising approach which can be used to deliver therapeutic genes to treat genetic diseases at its most fundamental level. In general, nonviral vectors are preferred due to reduced risk of immune response, but they are also commonly associated with low transfection efficiency and high cytotoxicity. In contrast to viral vectors, nonviral vectors do not have a natural mechanism to overcome extra- and intracellular barriers when delivering the therapeutic gene into cell. Hence, its design has been increasingly complex to meet challenges faced in targeting of, penetration of and expression in a specific host cell in achieving more satisfactory transfection efficiency. Flexibility in design of the vector is desirable, to enable a careful and controlled manipulation of its properties and functions. This can be met by the use of bolaamphiphile, a special class of lipid. Unlike conventional lipids, bolaamphiphiles can form asymmetric complexes with the therapeutic gene. The advantage of having an asymmetric complex lies in the different purposes served by the interior and exterior of the complex. More effective gene encapsulation within the interior of the complex can be achieved without triggering greater aggregation of serum proteins with the exterior, potentially overcoming one of the great hurdles faced by conventional single-head cationic lipids. In this review, we will look into the physiochemical considerations as well as the biological aspects of a bolaamphiphile-based gene delivery system.

  10. Transition from alkaline to calc-alkaline volcanism during evolution of the Paleoproterozoic Francevillian basin of eastern Gabon (Western Central Africa)

    Science.gov (United States)

    Thiéblemont, Denis; Bouton, Pascal; Préat, Alain; Goujou, Jean-Christian; Tegyey, Monique; Weber, Francis; Ebang Obiang, Michel; Joron, Jean Louis; Treuil, Michel

    2014-11-01

    We report new geochemical data for the volcanic and subvolcanic rocks associated with the evolution of the Francevillian basin of eastern Gabon during Paleoproterozoic times (c. 2.1-2 Ga). Filling of this basin has proceeded through four main sedimentary or volcano-sedimentary episodes, namely FA, FB, FC and FD. Volcanism started during the FB episode being present only in the northern part of the basin (Okondja sub-basin). This volcanism is ultramafic to trachytic in composition and displays a rather constant alkaline geochemical signature. This signature is typical of a within-plate environment, consistent with the rift-setting generally postulated for the Francevillian basin during the FB period. Following FB, the FC unit is 10-20 m-thick silicic horizon (jasper) attesting for a massive input of silica in the basin. Following FC, the FD unit is a c. 200-400 m-thick volcano-sedimentary sequence including felsic tuffs and epiclastic rocks. The geochemical signatures of these rocks are totally distinct from those of the FB alkaline lavas. High Th/Ta and La/Ta ratios attest for a calc-alkaline signature and slight fractionation between heavy rare-earth suggests melting at a rather low pressure. Such characteristics are comparable to those of felsic lavas associated with the Taupo zone of New Zealand, a modern ensialic back-arc basin. Following FD, the FE detrital unit is defined only in the Okondja region, probably associated with a late-stage collapse of the northern part of the basin. It is suggested that the alkaline to calc-alkaline volcanic transition reflects the evolution of the Francevillian basin from a diverging to a converging setting, in response to the onset of converging movements in the Eburnean Belt of Central Africa.

  11. Specific Examples of Hybrid Alkaline Cement

    OpenAIRE

    Fernández-Jiménez Ana; García-Lodeiro Inés; Donatello Shane; Maltseva Olga; Palomo Ángel

    2014-01-01

    Hybrid alkaline cements are obtained by alkali-activating cementitious blends in the Na2O-CaO-SiO2-Al2O3-H2O system. The present paper discusses the results of activating different cementitious blends containing a low OPC clinker content ( 15MPa a 2 days) different alkaline activators were used (liquid and solid). The reaction products obtained were also characterised by XRD, SEM/EDX and 27Al and 29Si NMRMAS. The results showed that the main reaction product was a mix of cementitious gels C-A...

  12. Alkaline Capacitors Based on Nitride Nanoparticles

    Science.gov (United States)

    Aldissi, Matt

    2003-01-01

    High-energy-density alkaline electrochemical capacitors based on electrodes made of transition-metal nitride nanoparticles are undergoing development. Transition- metal nitrides (in particular, Fe3N and TiN) offer a desirable combination of high electrical conductivity and electrochemical stability in aqueous alkaline electrolytes like KOH. The high energy densities of these capacitors are attributable mainly to their high capacitance densities, which, in turn, are attributable mainly to the large specific surface areas of the electrode nanoparticles. Capacitors of this type could be useful as energy-storage components in such diverse equipment as digital communication systems, implanted medical devices, computers, portable consumer electronic devices, and electric vehicles.

  13. Electrochemical behaviour of alkaline copper complexes

    Indian Academy of Sciences (India)

    C L Aravinda; S M Mayanna; V R Muralidharan

    2000-10-01

    A search for non-cyanide plating baths for copper resulted in the development of alkaline copper complex baths containing trisodium citrate [TSC] and triethanolamine [TEA]. Voltammetric studies were carried out on platinum to understand the electrochemical behaviour of these complexes. In TSC solutions, the deposition of copper involves the slow formation of a monovalent species. Adsorption of this species obeys Langmuir isotherm. In TEA solutions the deposition involves the formation of monovalent ions obeying the non-activated Temkin isotherm. Conversion of divalent to monovalent copper is also slow. In TEA and TSC alkaline copper solutions, the predominant species that undergo stepwise reduction contain only TEA ligands

  14. A deposit model for carbonatite and peralkaline intrusion-related rare earth element deposits: Chapter J in Mineral deposit models for resource assessment

    Science.gov (United States)

    Verplanck, Philip L.; Van Gosen, Bradley S.; Seal, Robert R., II; McCafferty, Anne E.

    2014-01-01

    Carbonatite and alkaline intrusive complexes, as well as their weathering products, are the primary sources of rare earth elements. A wide variety of other commodities have been exploited from carbonatites and alkaline igneous rocks including niobium, phosphate, titanium, vermiculite, barite, fluorite, copper, calcite, and zirconium. Other elements enriched in these deposits include manganese, strontium, tantalum, thorium, vanadium, and uranium. Carbonatite and peralkaline intrusion-related rare earth element deposits are presented together in this report because of the spatial, and potentially genetic, association between carbonatite and alkaline rocks. Although these rock types occur together at many locations, carbonatite and peralkaline intrusion-related rare earth element deposits are not generally found together.

  15. Cationic ruthenium alkylidene catalysts bearing phosphine ligands

    OpenAIRE

    Endo, Koji; Grubbs, Robert H.

    2016-01-01

    The discovery of highly active catalysts and the success of ionic liquid immobilized systems have accelerated attention to a new class of cationic metathesis catalysts. We herein report the facile syntheses of cationic ruthenium catalysts bear-ing bulky phosphine ligands. Simple ligand exchange using silver(I) salts of non-coordinating or weakly coordinating anions pro-vided either PPh3 or chelating Ph2P(CH2)nPPh2 (n = 2 or 3) ligated cationic catalysts. The structures of these newly reported...

  16. The Alkaline Diet: Is There Evidence That an Alkaline ph Diet Benefits Health?

    International Nuclear Information System (INIS)

    This review looks at the role of an alkaline diet in health. Pub med was searched looking for articles on ph, potential renal acid loads, bone health, muscle, growth hormone, back pain, vitamin D and chemotherapy. Many books written in the lay literature on the alkaline diet were also reviewed and evaluated in light of the published medical literature. There may be some value in considering an alkaline diet in reducing morbidity and mortality from chronic diseases and further studies are warranted in this area of medicine

  17. The Alkaline Diet: Is There Evidence That an Alkaline pH Diet Benefits Health?

    Directory of Open Access Journals (Sweden)

    Gerry K. Schwalfenberg

    2012-01-01

    Full Text Available This review looks at the role of an alkaline diet in health. Pubmed was searched looking for articles on pH, potential renal acid loads, bone health, muscle, growth hormone, back pain, vitamin D and chemotherapy. Many books written in the lay literature on the alkaline diet were also reviewed and evaluated in light of the published medical literature. There may be some value in considering an alkaline diet in reducing morbidity and mortality from chronic diseases and further studies are warranted in this area of medicine.

  18. Persistently increased intestinal fraction of alkaline phosphatase

    DEFF Research Database (Denmark)

    Nathan, E; Baatrup, G; Berg, H;

    1984-01-01

    Persistent elevation of the intestinal fraction of the alkaline phosphatase (API) as an isolated finding has to our knowledge not been reported previously. It was found in a boy followed during a period of 5.5 years. The only symptom was transient periodic fatigue observed at home, but not apparent...... phosphatase activity could be demonstrated....

  19. Use Alkalinity Monitoring to Optimize Bioreactor Performance.

    Science.gov (United States)

    Jones, Christopher S; Kult, Keegan J

    2016-05-01

    In recent years, the agricultural community has reduced flow of nitrogen from farmed landscapes to stream networks through the use of woodchip denitrification bioreactors. Although deployment of this practice is becoming more common to treat high-nitrate water from agricultural drainage pipes, information about bioreactor management strategies is sparse. This study focuses on the use of water monitoring, and especially the use of alkalinity monitoring, in five Iowa woodchip bioreactors to provide insights into and to help manage bioreactor chemistry in ways that will produce desirable outcomes. Results reported here for the five bioreactors show average annual nitrate load reductions between 50 and 80%, which is acceptable according to established practice standards. Alkalinity data, however, imply that nitrous oxide formation may have regularly occurred in at least three of the bioreactors that are considered to be closed systems. Nitrous oxide measurements of influent and effluent water provide evidence that alkalinity may be an important indicator of bioreactor performance. Bioreactor chemistry can be managed by manipulation of water throughput in ways that produce adequate nitrate removal while preventing undesirable side effects. We conclude that (i) water should be retained for longer periods of time in bioreactors where nitrous oxide formation is indicated, (ii) measuring only nitrate and sulfate concentrations is insufficient for proper bioreactor operation, and (iii) alkalinity monitoring should be implemented into protocols for bioreactor management.

  20. Cation locations and dislocations in zeolites

    Science.gov (United States)

    Smith, Luis James

    The focus of this dissertation is the extra-framework cation sites in a particular structural family of zeolites, chabazite. Cation sites play a particularly important role in the application of these sieves for ion exchange, gas separation, catalysis, and, when the cation is a proton, acid catalysis. Structural characterization is commonly performed through the use of powder diffraction and Rietveld analysis of powder diffraction data. Use of high-resolution nuclear magnetic resonance, in the study of the local order of the various constituent nuclei of zeolites, complements well the long-range order information produced by diffraction. Recent developments in solid state NMR techniques allow for increased study of disorder in zeolites particularly when such phenomena test the detection limits of diffraction. These two powerful characterization techniques, powder diffraction and NMR, offer many insights into the complex interaction of cations with the zeolite framework. The acids site locations in SSZ-13, a high silica chabazite, and SAPO-34, a silicoaluminophosphate with the chabazite structure, were determined. The structure of SAPO-34 upon selective hydration was also determined. The insensitivity of X-rays to hydrogen was avoided through deuteration of the acid zeolites and neutron powder diffraction methods. Protons at inequivalent positions were found to have different acid strengths in both SSZ-13 and SAPO-34. Other light elements are incorporated into zeolites in the form of extra-framework cations, among these are lithium, sodium, and calcium. Not amenable by X-ray powder diffraction methods, the positions of such light cations in fully ion-exchanged versions of synthetic chabazite were determined through neutron powder diffraction methods. The study of more complex binary cation systems were conducted. Powder diffraction and solid state NMR methods (MAS, MQMAS) were used to examine cation site preferences and dislocations in these mixed-akali chabazites

  1. Cycloaliphatic epoxide resins for cationic UV - cure

    International Nuclear Information System (INIS)

    This paper introduces the cyclo - aliphatic epoxide resins used for the various applications of radiation curing and their comparison with acrylate chemistry. Radiation curable coatings and inks are pre - dominantly based on acrylate chemistry but over the last few years, cationic chemistry has emerged successfully with the unique properties inherent with cyclo - aliphatic epoxide ring structures. Wide variety of cationic resins and diluents, the formulation techniques to achieve the desired properties greatly contributes to the advancement of UV - curing technology

  2. Cations and activated sludge floc structure

    OpenAIRE

    Park, Chul

    2002-01-01

    This research was designed to investigate the effect of cations on activated sludge characteristics and also to determine their influence on digestion performance. For this purpose, cations in solution and in floc were evaluated along with various activated sludge characteristics and the collected waste activated sludge underwent both anaerobic and aerobic digestion. It was found that large amounts of biopolymer (protein + polysaccharide) remained in the effluent of WWTP that received high in...

  3. Test procedure for cation exchange chromatography

    International Nuclear Information System (INIS)

    The purpose of this test plan is to demonstrate the synthesis of inorganic antimonate ion exchangers and compare their performance against the standard organic cation exchangers. Of particular interest is the degradation rate of both inorganic and organic cation exchangers. This degradation rate will be tracked by determining the ion exchange capacity and thermal stability as a function of time, radiation dose, and chemical reaction

  4. Silica-based cationic bilayers as immunoadjuvants

    OpenAIRE

    Carmona-Ribeiro Ana M; da Costa Maria; Faquim-Mauro Eliana; Santana Mariana RA; Lincopan Nilton

    2009-01-01

    Abstract Background Silica particles cationized by dioctadecyldimethylammonium bromide (DODAB) bilayer were previously described. This work shows the efficiency of these particulates for antigen adsorption and presentation to the immune system and proves the concept that silica-based cationic bilayers exhibit better performance than alum regarding colloid stability and cellular immune responses for vaccine design. Results Firstly, the silica/DODAB assembly was characterized at 1 mM NaCl, pH 6...

  5. Reactive transport modeling of column experiments on the evolution of saline-alkaline waste solutions.

    Science.gov (United States)

    Zheng, Zuoping; Zhang, Guoxiang; Wan, Jiamin

    2008-04-01

    Leakage of saline-alkaline tank waste solutions often creates a serious environmental contamination problem. To better understand the mechanisms controlling the fate of such waste solutions in the Hanford vadose zone, we simulated reactive transport in columns designed to represent local site conditions. The Pitzer ion interaction module was used, with principal geochemical processes considered in the simulation including quartz dissolution, precipitation of brucite, calcite, and portlandite, multi-component cation exchange, and aqueous complexation reactions. Good matches were observed between the simulated and measured column data at ambient temperature ( approximately 21 degrees C). Relatively good agreement was also obtained at high temperature ( approximately 70 degrees C). The decrease of pH at the plume front is examined through formation of secondary mineral phases and/or quartz dissolution. Substantial formation of secondary mineral phases resulting from multi-component cation exchange suggests that these phases are responsible for a decrease in pH within the plume front. In addition, a sensitivity analysis was conducted with respect to cation exchange capacity, selectivity coefficient, mineral assemblage, temperature, and ionic strength. This study could serve as a useful guide to subsequent experimental work, to thermodynamic models developed for the concentrated solutions at high ionic strength and to other types of waste plume studies. PMID:18313795

  6. Reactive transport modeling of column experiments on the evolution of saline alkaline waste solutions

    Science.gov (United States)

    Zheng, Zuoping; Zhang, Guoxiang; Wan, Jiamin

    2008-04-01

    Leakage of saline-alkaline tank waste solutions often creates a serious environmental contamination problem. To better understand the mechanisms controlling the fate of such waste solutions in the Hanford vadose zone, we simulated reactive transport in columns designed to represent local site conditions. The Pitzer ion interaction module was used, with principal geochemical processes considered in the simulation including quartz dissolution, precipitation of brucite, calcite, and portlandite, multi-component cation exchange, and aqueous complexation reactions. Good matches were observed between the simulated and measured column data at ambient temperature (˜ 21 °C). Relatively good agreement was also obtained at high temperature (˜ 70 °C). The decrease of pH at the plume front is examined through formation of secondary mineral phases and/or quartz dissolution. Substantial formation of secondary mineral phases resulting from multi-component cation exchange suggests that these phases are responsible for a decrease in pH within the plume front. In addition, a sensitivity analysis was conducted with respect to cation exchange capacity, selectivity coefficient, mineral assemblage, temperature, and ionic strength. This study could serve as a useful guide to subsequent experimental work, to thermodynamic models developed for the concentrated solutions at high ionic strength and to other types of waste plume studies.

  7. Rare Earth Market Review

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    @@ Oversupply of rare earths led to the significant price drop of rare earth mineral products and separated products in Chinese domestic market. To stabilize the price, prevent waste of resources, further improve regulation capability on domestic rare earth market and rare earth price and maintain sustaining and healthy development of rare earth industry, partial rare earth producers in Baotou and Jiangxi province projected to cease the production for one month.

  8. Arsenic and major cation hydrogeochemistry of the Central Victorian (Australia) surface waters

    Institute of Scientific and Technical Information of China (English)

    Khawar SULTAN; Kim DOWLING

    2006-01-01

    This paper reports on the major cations(Ca, Mg, Na and K) and arsenic(As) compositions of surface waters collected from major creeks, rivers and lakes in Central Victoria (Australia). The surface waters were found to be neutral to alkaline (pH 6.7-9.4),oxidised (average redox potential (Eh) about 130 mV) and showed variable concentrations of dissolved ions (EC, about 51-4386 μS/cm). The concen- trations of dissolved major cations in surface waters were found to be in the order of Na>>Mg>Ca>K and in soils the contents of metals followed an order of abundance as: Ca>Mg>>K>Na. While Na was the least abundant in soils, it registered the highest dissolved cation in surface waters. Of the four major cations, the average concentration ofNa(98.7 mg/L) was attributed to the weathering of feldspars and atmospheric input. Relatively highly dissolved concentrations of Na and Mg compared with the world average values of rivers reflected the weathering of rock and soil minerals within the catchments.The As soil level is naturally high(linked to lithology) as reflected by high background soil values and mining operations are also considered to be a contributory factor. Under relatively alkaline-oxidative conditions low mobility of dissolved As (average about 7.9 μg/L) was observed in most of the surface waters with a few higher values(>15 μg/L) around a sewage disposal site and mine tailings.Arsenic in soils is slowly released into water under alkaline and/or lower Eh conditions. The efficient sink of Fe, Al and Mn oxides acts as a barrier against the As release under near neutral-oxidising conditions. High As content (average about 28.3 mg/kg) in soils was found to be associated with Fe-hydroxides as revealed by XRD and SEM analysis. The dissolved As concentration was found to be below the recommended maximum levels for recreational water in all surface waters(lakes and rivers) in the study area. Catchment lithology exerted the fundamental control on surface water chemistry

  9. Arsenic and major cation hydrogeochemistry of the Central Victorian (Australia) surface waters.

    Science.gov (United States)

    Sultan, Khawar; Dowling, Kim

    2006-01-01

    This paper reports on the major cations (Ca, Mg, Na and K) and arsenic (As) compositions of surface waters collected from major creeks, rivers and lakes in Central Victoria (Australia). The surface waters were found to be neutral to alkaline (pH 6.7-9.4), oxidised (average redox potential (Eh) about 130 mV) and showed variable concentrations of dissolved ions (EC, about 51-4386 microS/cm). The concentrations of dissolved major cations in surface waters were found to be in the order of Na>Mg>Ca>K and in soils the contents of metals followed an order of abundance as: Ca>Mg>K>Na. While Na was the least abundant in soils, it registered the highest dissolved cation in surface waters. Of the four major cations, the average concentration of Na (98.7 mg/L) was attributed to the weathering of feldspars and atmospheric input. Relatively highly dissolved concentrations of Na and Mg compared with the world average values of rivers reflected the weathering of rock and soil minerals within the catchments. The As soil level is naturally high (linked to lithology) as reflected by high background soil values and mining operations are also considered to be a contributory factor. Under relatively alkaline-oxidative conditions low mobility of dissolved As (average about 7.9 microg/L) was observed in most of the surface waters with a few higher values (> 15 microg/L) around a sewage disposal site and mine tailings. Arsenic in soils is slowly released into water under alkaline and/or lower Eh conditions. The efficient sink of Fe, Al and Mn oxides acts as a barrier against the As release under near neutral-oxidising conditions. High As content (average about 28.3 mg/kg) in soils was found to be associated with Fe-hydroxides as revealed by XRD and SEM analysis. The dissolved As concentration was found to be below the recommended maximum levels for recreational water in all surface waters (lakes and rivers) in the study area. Catchment lithology exerted the fundamental control on surface

  10. The effects of alkaline earth metal ions and halogen ions on the chromium oxide activities in alkaline earth metal oxide-halide-Cr2O3 system fluxes

    Science.gov (United States)

    Li, Lian-Fu; Jiang, Mao-Fa; Wang, Wen-Zhong; Chen, Zhao-Ping

    2000-06-01

    The solid electrolyte cell — Mo|Cr + Cr2O3‖ZrO2(MgO)‖{Cu-Cr}alloy + (Cr2O3)fluxes|Mo+ is used at 1673 K to determine Cr2O3 activities in MO-MX 2-Cr2O3 (M = Ca2+, Ba2-, X = F- or Cl-) ternary fluxes, which are in equilibrium with the copper-chromium binary alloy. The ternary isothermal phase diagrams of CaO-CaF2-Cr2O3 and BaO-BaCl2-Cr2O3 system fluxes are inferred on the basis of the experimental results and binary phase diagrams. The results indicate that Cr2O3 activities in all fluxes always decrease with the increase of the X MO /X MX2 ratio. Partial replacement of BaO in BaO-BaF2-Cr2O3 fluxes by CaO is acceptable for economy and efficiency considerations. At the same time, partial substitution of BaO for CaO in CaO-CaF2-Cr2O3 fluxes is advantageous for phosphorus removal and chromium retention as a result of the increased Cr2O3 activities, increased basicities, and widening of the liquid zones. Compared to those in BaO-BaF2-Cr2O3 fluxes, Cr2O3 activities in CaO-CaF2-Cr2O3 fluxes approximately follow the same curve as the former, although the position and the width of the liquid zones are considerably different, and activities in BaO-BaCl2-Cr2O3 fluxes are higher at the lower Cr2O3 content, or vice versa. The activity coefficients of Cr2O3 in the fluxes decrease with the increase of the X MO /X MX 2 ratios.

  11. Alkaline regenerative fuel cell energy storage system for manned orbital satellites

    Science.gov (United States)

    Martin, R. E.; Gitlow, B.; Sheibley, D. W.

    1982-01-01

    It is pointed out that the alkaline regenerative fuel cell system represents a highly efficient, lightweight, reliable approach for providing energy storage in an orbiting satellite. In addition to its energy storage function, the system can supply hydrogen and oxygen for attitude control of the satellite and for life support. A summary is presented of the results to date obtained in connection with the NASA-sponsored fuel cell technology advancement program, giving particular attention to the requirements of the alkaline regenerative fuel cell and the low-earth mission. Attention is given to system design guidelines, weight considerations, gold-platinum cathode cell performance, matrix development, the electrolyte reservoir plate, and the cyclical load profile tests.

  12. The Application of High Performance Liquid Chromatography in the Analysis of Trace Rare Earth

    Institute of Scientific and Technical Information of China (English)

    WANG; Xiu-feng; DING; You-qian

    2012-01-01

    <正>Rare earth elements are very important in the field of radioanalytical chemistry, for it must be separated and determined in the measurements of burn-up and fission yield. High performance liquid chromatography has become a main method in the separation of rare earth elements due to its obvious advantages, this is, high speed of analysis, high efficiency and easy automation. The ion exchange chromatography is the main means to separate rare earth elements, especially the cation exchange

  13. Metal sulfide and rare-earth phosphate nanostructures and methods of making same

    Energy Technology Data Exchange (ETDEWEB)

    Wong, Stanislaus; Zhang, Fen

    2016-06-28

    The present invention provides a method of producing a crystalline rare earth phosphate nanostructure. The method comprising: providing a rare earth metal precursor solution and providing a phosphate precursor solution; placing a porous membrane between the metal precursor solution and the phosphate precursor solution, wherein metal cations of the metal precursor solution and phosphate ions of the phosphate precursor solution react, thereby producing a crystalline rare earth metal phosphate nanostructure.

  14. Rare-earth doped (alpha'/beta')-sialon ceramics

    CERN Document Server

    Gajum, N R

    2001-01-01

    combination of light and heavy rare-earth (Yb-Nd and Gd-Nd), and then pressureless sintered and compared with the single cation materials. Materials in the as sintered state were composed of a high alpha' sialon content with a minor amount of beta' sialon and 12H A1N polytype indicating that the heavy rare-earth (which is the principal alpha' stabilizer) has a dominant effect although EDAX analysis confirmed the presence of both cations (light and heavy) within the alpha' structure. The research also compared, and developed an understanding of, the thermal stability of alpha'-sialon using single Yb or mixed cations. The Yb single cation alpha'/beta' materials exhibited excellent stability over a range of temperature (1200 - 1600 deg C) and for different periods of time up to 168 hrs. The heat treatments result in the crystallisation of the residual phase as a Yb garnet phase which formed at approx 1300 deg C. The mixed cation alpha'/beta' materials showed some alpha'-beta' transformation. The transformation w...

  15. Hydrothermal synthesis of Pb(Zr0.52Ti0.48)O3 powders at low temperature and low alkaline concentration

    Indian Academy of Sciences (India)

    Zhong-Cheng Qiu; Jian-Ping Zhou; Gangqiang Zhu; Peng Liu; Xiao-Bing Bian

    2009-04-01

    Pb(Zr0.52Ti0.48)O3 (PZT) powders were prepared by hydrothermal method. The effects of experimental parameters, including Pb/(Zr, Ti) ratio, alkaline concentration, reaction temperature and time on the product powders were studied in detail. Pure PZT powders were synthesized at suitable experimental conditions and Raman spectra confirmed the PZT with a perovskite-type structure. The homogeneous PZT powders with cubic-shaped morphology were formed at alkaline concentration of 1.2 M after reacting at 230°C for 2 h. The pure PZT powders obtained at low temperature and low alkaline concentration were attributed to precursors, TiCl4, with high activity and mineralizer NaOH with small cation radius.

  16. Specific Examples of Hybrid Alkaline Cement

    Directory of Open Access Journals (Sweden)

    Fernández-Jiménez Ana

    2014-04-01

    Full Text Available Hybrid alkaline cements are obtained by alkali-activating cementitious blends in the Na2O-CaO-SiO2-Al2O3-H2O system. The present paper discusses the results of activating different cementitious blends containing a low OPC clinker content ( 15MPa a 2 days different alkaline activators were used (liquid and solid. The reaction products obtained were also characterised by XRD, SEM/EDX and 27Al and 29Si NMRMAS. The results showed that the main reaction product was a mix of cementitious gels C-A-S-H and (N,C-A-S-H, and that their relative proportions were strongly influenced by the calcium content in the initial binder

  17. High temperature and pressure alkaline electrolysis

    DEFF Research Database (Denmark)

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

    2013-01-01

    Alkaline electrolyzers have proven to operate reliable for decades on a large scale, but in order to become commercially attractive and compete against conventional technologies for hydrogen production, the production and investment costs have to be reduced. This may occur by increasing the...... operational temperature and pressure to produce pressurized hydrogen at high rate (m3 H2·h-1·m-2 cell area) and high electrical efficiency. This work describes an exploratory technical study of the possibility to produce hydrogen and oxygen with a new type of alkaline electrolysis cell at high temperatures...... SrTiO3 was used for immobilization of aqueous KOH solutions. Electrolysis cells with this electrolyte and metal foam based gas diffusion electrodes were successfully demonstrated at temperatures up to 250 °C at 40 bar. Different electro-catalysts were tested in order to reduce the oxygen and hydrogen...

  18. Rare Earth Resolution

    Institute of Scientific and Technical Information of China (English)

    Mei Xinyu

    2012-01-01

    BEFORE the early 1970s, China had no rare earth exports, and the world rare earth market was dominated by the United States, Europe and Japan. In the 1970s, China began to enter the world rare earth market and its share has picked up sharply in the following decades. Today, having the monopoly over global rare earth production, China must improve the benefits from rare earth production, not only from producing individual rare earth products, but also from mastering the intensive processing of rare earth products.

  19. Innate cation sensitivity in a semiconducting polymer.

    Science.gov (United States)

    Althagafi, Talal M; Algarni, Saud A; Grell, Martin

    2016-09-01

    Water-gated organic thin film transistors (OTFTs) using the hole transporting semiconducting polymer, poly(2,5-bis(3-hexadecylthiophen-2-yl)thieno[3,2-b]thiophene) (PBTTT), show an innate response of their threshold voltage to the addition of divalent metal cations to the gating water, without deliberately introducing an ion-sensitive component. A similar threshold response is shown for several divalent cations, but is absent for monovalent cations. Response is absent for transistors using the inorganic semiconductor ZnO, or the similar organic semiconductor poly(3-hexylthiophene) (rrP3HT), instead of PBTTT. We assign innate cation sensitivity to residues of the organometallic Pd(0) complex used as catalyst in PBTTT synthesis which bears strong resemblance to typical metal chelating agents. Organometallic Pd(0) residues are absent from ZnO, and also from rrP3HT which is polymerised with a different type of catalyst. However, when Pd(0) complex is deliberately added to rrP3HT casting solutions, resulting OTFTs also display threshold response to a divalent cation. PMID:27343580

  20. CARINA alkalinity data in the Atlantic Ocean

    Directory of Open Access Journals (Sweden)

    A. Velo

    2009-08-01

    Full Text Available Data on carbon and carbon-relevant hydrographic and hydrochemical parameters from previously non-publicly available cruise data sets in the Arctic, Atlantic and Southern Ocean have been retrieved and merged to a new database: CARINA (CARbon IN the Atlantic.

    These data have gone through rigorous quality control (QC procedures to assure the highest possible quality and consistency. The data for most of the measured parameters in the CARINA data base were objectively examined in order to quantify systematic differences in the reported values, i.e. secondary quality control. Systematic biases found in the data have been corrected in the data products, i.e. three merged data files with measured, calculated and interpolated data for each of the three CARINA regions; Arctic, Atlantic and Southern Ocean. Out of a total of 188 cruise entries in the CARINA database, 98 were conducted in the Atlantic Ocean and of these, 75 cruises report alkalinity values.

    Here we present details of the secondary QC on alkalinity for the Atlantic Ocean part of CARINA. Procedures of quality control, including crossover analysis between cruises and inversion analysis of all crossover data are briefly described. Adjustments were applied to the alkalinity values for 16 of the cruises in the Atlantic Ocean region. With these adjustments the CARINA database is consistent both internally as well as with GLODAP data, an oceanographic data set based on the World Hydrographic Program in the 1990s. Based on our analysis we estimate the internal accuracy of the CARINA-ATL alkalinity data to be 3.3 μmol kg−1. The CARINA data are now suitable for accurate assessments of, for example, oceanic carbon inventories and uptake rates and for model validation.

  1. Alkaline leaching of iron and steelmaking dust

    OpenAIRE

    Stafanova, Anna; Aromaa, Jari

    2012-01-01

    Steel production generates significant quantities of dust and sludge in blast furnaces (BF),basic oxygen furnaces (BOF), and electric arc furnaces (EAF). These dusts contain toxicelements, such as heavy metals, and are thus classified as harmful waste making the disposalof them expensive. In addition, direct recycling of dust back to steel production is hindered dueto the presence of zinc. In this literature survey the alkaline leaching of zinc from iron and steelmaking dusts isreviewed. T...

  2. Interaction of calcium silicate hydrates (C-S-H), the main components of cement, with alkaline chlorides, analogy with clays

    International Nuclear Information System (INIS)

    This work, belonging to a more general study on the structure and reactivity of cement, deals with the experimental and theoretical analysis of the interaction of alkaline chlorides with calcium silicate hydrates (C-S-H), the main components of cement paste. The interaction of alkaline cations with C-S-H is interfacial, involving both electrostatic and surface complexation mechanisms. The C-S-H surface is constituted of silanol sites, partially dissociated due to the high pH of the interstitial solution. The calcium ions, present in large amounts in the equilibrium solution of C-S-H, constitute potential determining ions for the C-S-H surface. The alkaline ions seem to compete with calcium for the same surface sites. The adsorption isotherms show that caesium presents a better affinity than sodium and lithium for the C-S-H surface. Moreover, solid-state NMR suggests that caesium forms with the surface sites inner-sphere complexes, whereas sodium seems to keep its hydration sphere. These results are in agreement with zeta potential measurements, which let suppose a specific adsorption of caesium ions, and an indifferent behaviour of both other alkaline ions. A model for the C-S-H surface was proposed, from the electric double layer model, and mass action laws expressing the complexation of the different ionic species with the silanol sites. The whole study relies on a structural analogy with smectites, some clays presenting well-known cationic adsorption properties. The structural similarity between both minerals is enhanced by some similarities of reactivity, though significant behaviour differences could also be noted. (author)

  3. Postgraduate Symposium: Positive influence of nutritional alkalinity on bone health.

    Science.gov (United States)

    Wynn, E; Krieg, M A; Lanham-New, S A; Burckhardt, P

    2010-02-01

    There is growing evidence that consumption of a Western diet is a risk factor for osteoporosis through excess acid supply, while fruits and vegetables balance the excess acidity, mostly by providing K-rich bicarbonate-rich foods. Western diets consumed by adults generate approximately 50-100 mEq acid/d; therefore, healthy adults consuming such a diet are at risk of chronic low-grade metabolic acidosis, which worsens with age as a result of declining kidney function. Bone buffers the excess acid by delivering cations and it is considered that with time an overstimulation of this process will lead to the dissolution of the bone mineral content and hence to reduced bone mass. Intakes of K, Mg and fruit and vegetables have been associated with a higher alkaline status and a subsequent beneficial effect on bone health. In healthy male volunteers an acid-forming diet increases urinary Ca excretion by 74% and urinary C-terminal telopeptide of type I collagen (C-telopeptide) excretion by 19% when compared with an alkali (base-forming) diet. Cross-sectional studies have shown that there is a correlation between the nutritional acid load and bone health measured by bone ultrasound or dual-energy X-ray absorptiometry. Few studies have been undertaken in very elderly women (>75 years), whose osteoporosis risk is very pertinent. The EVAluation of Nutrients Intakes and Bone Ultra Sound Study has developed and validated (n 51) an FFQ for use in a very elderly Swiss population (mean age 80.4 (sd 2.99) years), which has shown intakes of key nutrients (energy, fat, carbohydrate, Ca, Mg, vitamin C, D and E) to be low in 401 subjects. A subsequent study to assess net endogenous acid production (NEAP) and bone ultrasound results in 256 women aged > or = 75 years has shown that lower NEAP (P=0.023) and higher K intake (P=0.033) are correlated with higher bone ultrasound results. High acid load may be an important additional risk factor that may be particularly relevant in very elderly

  4. Fe(III), Cr(VI), and Fe(III) mediated Cr(VI) reduction in alkaline media using a Halomonas isolate from Soap Lake, Washington.

    Science.gov (United States)

    VanEngelen, Michael R; Peyton, Brent M; Mormile, Melanie R; Pinkart, Holly C

    2008-11-01

    Hexavalent chromium is one of the most widely distributed environmental contaminants. Given the carcinogenic and mutagenic consequences of Cr(VI) exposure, the release of Cr(VI) into the environment has long been a major concern. While many reports of microbial Cr(VI) reduction are in circulation, very few have demonstrated Cr(VI) reduction under alkaline conditions. Since Cr(VI) exhibits higher mobility in alkaline soils relative to pH neutral soils, and since Cr contamination of alkaline soils is associated with a number of industrial activities, microbial Cr(VI) reduction under alkaline conditions requires attention.Soda lakes are the most stable alkaline environments on earth, and contain a wide diversity of alkaliphilic organisms. In this study, a bacterial isolate belonging to the Halomonas genus was obtained from Soap Lake, a chemically stratified alkaline lake located in central Washington State. The ability of this isolate to reduce Cr(VI) and Fe(III) was assessed under alkaline (pH = 9), anoxic, non-growth conditions with acetate as an electron donor. Metal reduction rates were quantified using Monod kinetics. In addition, Cr(VI) reduction experiments were carried out in the presence of Fe(III) to evaluate the possible enhancement of Cr(VI) reduction rates through electron shuttling mechanisms. While Fe(III) reduction rates were slow compared to previously reported rates, Cr(VI) reduction rates fell within range of previously reported rates. PMID:18401687

  5. Forging Colloidal Nanostructures via Cation Exchange Reactions

    Science.gov (United States)

    2016-01-01

    Among the various postsynthesis treatments of colloidal nanocrystals that have been developed to date, transformations by cation exchange have recently emerged as an extremely versatile tool that has given access to a wide variety of materials and nanostructures. One notable example in this direction is represented by partial cation exchange, by which preformed nanocrystals can be either transformed to alloy nanocrystals or to various types of nanoheterostructures possessing core/shell, segmented, or striped architectures. In this review, we provide an up to date overview of the complex colloidal nanostructures that could be prepared so far by cation exchange. At the same time, the review gives an account of the fundamental thermodynamic and kinetic parameters governing these types of reactions, as they are currently understood, and outlines the main open issues and possible future developments in the field. PMID:26891471

  6. Alkaline and ultrasound assisted alkaline pretreatment for intensification of delignification process from sustainable raw-material.

    Science.gov (United States)

    Subhedar, Preeti B; Gogate, Parag R

    2014-01-01

    Alkaline and ultrasound-assisted alkaline pretreatment under mild operating conditions have been investigated for intensification of delignification. The effect of NaOH concentration, biomass loading, temperature, ultrasonic power and duty cycle on the delignification has been studied. Most favorable conditions for only alkaline pretreatment were alkali concentration of 1.75 N, solid loading of 0.8% (w/v), temperature of 353 K and pretreatment time of 6 h and under these conditions, 40.2% delignification was obtained. In case of ultrasound-assisted alkaline approach, most favorable conditions obtained were alkali concentration of 1N, paper loading of 0.5% (w/v), sonication power of 100 W, duty cycle of 80% and pretreatment time of 70 min and the delignification obtained in ultrasound-assisted alkaline approach under these conditions was 80%. The material samples were characterized by FTIR, SEM, XRD and TGA technique. The lignin was recovered from solution by precipitation method and was characterized by FTIR, GPC and TGA technique.

  7. Chemical equilibria model of strontium-90 adsorption and transport in soil in response to dynamic alkaline conditions.

    Science.gov (United States)

    Spalding, B P; Spalding, I R

    2001-01-15

    Strontium-90 is a major hazardous contaminant of radioactive wastewater and its processing sludges at many Department of Energy (DOE) facilities. In the past, such contaminated wastewater and sludge have been disposed in soil seepage pits, lagoons, or cribs often under highly perturbed alkaline conditions (pH > 12) where 90Sr solubility is low and its adsorption to surrounding soil is high. As natural weathering returns these soils to near-neutral or slightly acidic conditions, the adsorbed and precipitated calcium and magnesium phases, in which 90Sr is carried, change significantly in both nature and amounts. No comprehensive computational method has been formulated previously to quantitatively simulate the dynamics of 90Sr in the soil-groundwater environment under such dynamic and wide-ranging conditions. A computational code, the Hydrologic Utility Model for Demonstrating Integrated Nuclear Geochemical Environmental Responses (HUMDINGER), was composed to describe the changing equilibria of 90Sr in soil based on its causative chemical reactions including soil buffering, pH-dependent cation-exchange capacity, cation selectivity, and the precipitation/dissolution of calcium carbonate, calcium hydroxide, and magnesium hydroxide in response to leaching groundwater characteristics including pH, acid-neutralizing capacity, dissolved cations, and inorganic carbonate species. The code includes a simulation of one-dimensional transport of 90Sr through a soil column as a series of soil mixing cells where the equilibrium soluble output from one cell is applied to the next cell. Unamended soil leaching and highly alkaline soil treatments, including potassium hydroxide, sodium silicate, and sodium aluminate, were simulated and compared with experimental findings using large (10 kg) soil columns that were leached with 90Sr-contaminated groundwater after treatment. HUMDINGER's simulations were in good agreement with dynamic experimental observations of soil exchange capacity

  8. Water removal studies on high power hydrogen-oxygen fuel cells with alkaline electrolytes

    Science.gov (United States)

    Kordesch, K.; Oliveira, J. C. T.; Gruber, Ch.; Winkler, G.

    1989-08-01

    Research in verification of bipolar fuel cell design, containing mass-produceable all-carbon electrodes which can be used in alkaline or acidic cells with liquid or immobilized (matrix) electrolytes, is described. Spin-offs from the research related to the Hermes manned spaceplane could be useful for applications on Earth. Peak-power plants, electric vehicles and storage devices used in combination with renewable energy sources could all benefit from the research. A subsequent investigation of water transpiration properties of carbon electrodes is described.

  9. Cationically polymerizable monomers derived from renewable sources

    Energy Technology Data Exchange (ETDEWEB)

    Crivello, J.V.

    1992-10-01

    The objectives of this project are to design and synthesize novel monomers which orginate from renewable biological sources and to carry out their rapid, efficient, pollution-free and energy efficient cationic polymerization to useful products under the influence of ultraviolet light or heat. A summary of the results of the past year's research on cationically polymerizable monomers derived from renewable sources is presented. Three major areas of investigation corresponding to the different classes of naturally occurring starting materials were investigated; epoxidized terpenes and natural rubber and vinyl ethers from alcohols and carbohydrates.

  10. Mixed cation effect in sodium aluminosilicate glasses

    DEFF Research Database (Denmark)

    Kjeldsen, Jonas; Smedskjær, Morten Mattrup; Mauro, John C.;

    , network structure, and the resistances associated with the deformation processes in mixed cation glasses by partially substituting magnesium for calcium and calcium for lithium in sodium aluminosilicate glasses. We use Raman and 27Al NMR spectroscopies to obtain insights into the structural...... and topological features of these glasses and we use AFM to quantify the resistances associated with each deformation process under Vickers indentation. We demonstrate that the mixed cation effect manifests itself as a maximum in the amount of bonded tetrahedral units and as a minimum in liquid fragility index...

  11. Cation Effect on Copper Chemical Mechanical Polishing

    Institute of Scientific and Technical Information of China (English)

    WANG Liang-Yong; LIU Bo; SONG Zhi-Tang; FENG Song-Lin

    2009-01-01

    We examine the effect of cations in solutions containing benzotriazole (BTA) and H2O2 on copper chemical mechanical polishing (CMP). On the base of atomic force microscopy (AFM) and material removal rate (MRR) results, it is found that ammonia shows the highest MRR as well as good surface after CMP, while KOH demon-strates the worst performance. These results reveal a mechanism that sma//molecules with lone-pairs rather than molecules with steric effect and common inorganic cations are better for copper CMP process, which is indirectly confirmed by open circuit potential (OCP).

  12. Study of the interaction metallic cation - ligand in concentrated phosphorus acid media; Etude de l'interaction cation metallique - ligand en milieu acide phosphorique concentre

    Energy Technology Data Exchange (ETDEWEB)

    Sefiani, N.; Azzi, M.; Hlaibi, M. [Faculte des Sciences Ain Chock, Laboratoire d' Electrochimie et Chimie de l' Environnement (LECE), Casablanca (Morocco); Kossair, A. [Centre de Recherche des Phosphates Mineraux (CERPHOS), Casablanca (Morocco)

    2005-07-01

    The phosphoric acid is more and more used with a high purity. The recovery of recycling element (uranium, vanadium, rare earth...) and the elimination of toxic element (cadmium, molybdenum, lead...) contained in the phosphoric acid are generally realized by extraction or precipitation. It is then very important to understand these impurities behavior in the phosphoric media in order to control their elimination. In this work, the authors considered the presence of some metallic cations (V, Al, fe, U) and fluorides ions as impurity in concentrated phosphoric acid media. (A.L.B.)

  13. The Lifeworld Earth and a Modelled Earth

    Science.gov (United States)

    Juuti, Kalle

    2014-01-01

    The goal of this paper is to study the question of whether a phenomenological view of the Earth could be empirically endorsed. The phenomenological way of thinking considers the Earth as a material entity, but not as an object as viewed in science. In the learning science tradition, tracking the process of the conceptual change of the shape of the…

  14. Comparison of alkaline industrial wastes for aqueous mineral carbon sequestration through a parallel reactivity study.

    Science.gov (United States)

    Noack, Clinton W; Dzombak, David A; Nakles, David V; Hawthorne, Steven B; Heebink, Loreal V; Dando, Neal; Gershenzon, Michael; Ghosh, Rajat S

    2014-10-01

    Thirty-one alkaline industrial wastes from a wide range of industrial processes were acquired and screened for application in an aqueous carbon sequestration process. The wastes were evaluated for their potential to leach polyvalent cations and base species. Following mixing with a simple sodium bicarbonate solution, chemistries of the aqueous and solid phases were analyzed. Experimental results indicated that the most reactive materials were capable of sequestering between 77% and 93% of the available carbon under experimental conditions in four hours. These materials - cement kiln dust, spray dryer absorber ash, and circulating dry scrubber ash - are thus good candidates for detailed, process-oriented studies. Chemical equilibrium modeling indicated that amorphous calcium carbonate is likely responsible for the observed sequestration. High variability and low reactive fractions render many other materials less attractive for further pursuit without considering preprocessing or activation techniques.

  15. Earth Abundant Element Type I Clathrate Phases

    Directory of Open Access Journals (Sweden)

    Susan M. Kauzlarich

    2016-08-01

    Full Text Available Earth abundant element clathrate phases are of interest for a number of applications ranging from photovoltaics to thermoelectrics. Silicon-containing type I clathrate is a framework structure with the stoichiometry A8-xSi46 (A = guest atom such as alkali metal that can be tuned by alloying and doping with other elements. The type I clathrate framework can be described as being composed of two types of polyhedral cages made up of tetrahedrally coordinated Si: pentagonal dodecahedra with 20 atoms and tetrakaidecahedra with 24 atoms in the ratio of 2:6. The cation sites, A, are found in the center of each polyhedral cage. This review focuses on the newest discoveries in the group 13-silicon type I clathrate family: A8E8Si38 (A = alkali metal; E = Al, Ga and their properties. Possible approaches to new phases based on earth abundant elements and their potential applications will be discussed.

  16. Cation Selectivity in Biological Cation Channels Using Experimental Structural Information and Statistical Mechanical Simulation.

    Directory of Open Access Journals (Sweden)

    Justin John Finnerty

    Full Text Available Cation selective channels constitute the gate for ion currents through the cell membrane. Here we present an improved statistical mechanical model based on atomistic structural information, cation hydration state and without tuned parameters that reproduces the selectivity of biological Na+ and Ca2+ ion channels. The importance of the inclusion of step-wise cation hydration in these results confirms the essential role partial dehydration plays in the bacterial Na+ channels. The model, proven reliable against experimental data, could be straightforwardly used for designing Na+ and Ca2+ selective nanopores.

  17. Rare earth impact on glass structure and alteration kinetics

    International Nuclear Information System (INIS)

    This work is related to the question of the geological deep repository of high-level waste glass. These wastes include fission products and minor actinides, elements which can be simulated by rare earths. As new glass compositions could enable increased rare earth concentrations, it is crucial to know and understand rare earth impact on glass structure on the one hand, and on glass alteration kinetics or their incorporation into an altered layer. This work studied simplified borosilicate glasses in order to limit synergetic effects between rare earths and other elements. Various complementary techniques were used to characterize pristine and altered glasses (solid-high resolution NMR, Raman spectroscopy, fluorescence, SIMS, SAXS). Firstly, the structural role of a rare earth is discussed and is compared to a calcium cation. The local environment of rare earths is also probed. Secondly, rare earth (nature and concentration) impact on several alteration regimes was studied (initial rate, rate drop). Then, after alteration, rare earth elements being retained within the altered layer, the structural impact of rare earth elements (and their local environment) in this alteration layer was also investigated. (author)

  18. Water adsorption on free cobalt cluster cations

    NARCIS (Netherlands)

    D.M. Kiawi; J.M. Bakker; J. Oomens; W.J. Buma; Z. Jamshidi; L. Visscher; L.B.F.M. Waters

    2015-01-01

    Cationic cobalt clusters complexed with water Con+-​H2O (n = 6-​20) are produced through laser ablation and investigated via IR multiple photon dissocn. (IR-​MPD) spectroscopy in the 200-​1700 cm-​1 spectral range. All spectra exhibit a resonance close to the 1595 cm-​1 frequency of the free water b

  19. Simultaneous anion and cation mobility in polypyrrole

    DEFF Research Database (Denmark)

    Skaarup, Steen; Bay, Lasse; Vidanapathirana, K.;

    2003-01-01

    Polypyrrole (PPy) polymer films permanently doped with large, immobile anion dodecyl benzene sulfonate (DBS) have been characterized by cyclic voltammetry in order to clarify the roles of cations and anions in the aqueous electrolyte as mobile ions in the film. Aqueous solutions of 0.05-0.1 M alk...

  20. Resonance raman studies of phenylcyclopropane radical cations

    NARCIS (Netherlands)

    Godbout, J.T.; Zuilhof, H.; Heim, G.; Gould, I.R.; Goodman, J.L.; Dinnocenzo, J.P.; Myers Kelley, A.

    2000-01-01

    Resonance Raman spectra of the radical cations of phenylcyclopropane and trans-1-phenyl-2-methylcyclopropane are reported. A near-UV pump pulse excites a photosensitizer which oxidizes the species of interest, and a visible probe pulse delayed by 35 ns obtains the spectrum of the radical ion. The tr

  1. Anionic/cationic complexes in hair care.

    Science.gov (United States)

    O'Lenick, Tony

    2011-01-01

    The formulation of cosmetic products is always more complicated than studying the individual components in aqueous solution. This is because there are numerous interactions between the components, which make the formulation truly more than the sum of the parts. This article will look at interactions between anionic and cationic surfactants and offer insights into how to use these interactions advantageously in making formulations.

  2. Suppressing the dendritic growth of zinc in an ionic liquid containing cationic and anionic zinc complexes for battery applications.

    Science.gov (United States)

    Liu, Zhen; Pulletikurthi, Giridhar; Lahiri, Abhishek; Cui, Tong; Endres, Frank

    2016-05-10

    Metallic zinc is a promising negative electrode for high energy rechargeable batteries due to its abundance, low-cost and non-toxic nature. However, the formation of dendritic zinc and low Columbic efficiency in aqueous alkaline solutions during charge/discharge processes remain a great challenge. Here we demonstrate that the dendritic growth of zinc can be effectively suppressed in an ionic liquid electrolyte containing highly concentrated cationic and anionic zinc complexes obtained by dissolving zinc oxide and zinc trifluoromethylsulfonate in a protic ionic liquid, 1-ethylimidazolium trifluoromethylsulfonate. The presence of both cationic and anionic zinc complexes alters the interfacial structure at the electrode/electrolyte interface and influences the nucleation and growth of zinc, leading to compact, homogeneous and dendrite-free zinc coatings. This study also provides insights into the development of highly concentrated metal salts in ionic liquids as electrolytes to deposit dendrite-free zinc as an anode material for energy storage applications. PMID:27080261

  3. Cationic lipids and cationic ligands induce DNA helix denaturation: detection of single stranded regions by KMnO4 probing.

    Science.gov (United States)

    Prasad, T K; Gopal, Vijaya; Rao, N Madhusudhana

    2003-09-25

    Cationic lipids and cationic polymers are widely used in gene delivery. Using 1,2-dioleoyl-3-trimethylammonium-propane (DOTAP) as a cationic lipid, we have investigated the stability of the DNA in DOTAP:DNA complexes by probing with potassium permanganate (KMnO4). Interestingly, thymidines followed by a purine showed higher susceptibility to cationic ligand-mediated melting. Similar studies performed with other water-soluble cationic ligands such as polylysine, protamine sulfate and polyethyleneimine also demonstrated melting of the DNA but with variations. Small cations such as spermine and spermidine and a cationic detergent, cetyl trimethylammonium bromide, also rendered the DNA susceptible to modification by KMnO4. The data presented here provide direct proof for melting of DNA upon interaction with cationic lipids. Structural changes subsequent to binding of cationic lipids/ligands to DNA may lead to instability and formation of DNA bubbles in double-stranded DNA.

  4. RES Hydrogen: efficient pressurised alkaline electrolysers

    DEFF Research Database (Denmark)

    Bowen, Jacob R.; Bentzen, Janet Jonna; Jørgensen, Peter Stanley;

    The RESelyser project addresses issues associated with coupling alkaline electrolysis to renewable energy sources such as electrode stability and gas purity by implementing improved electrodes and a new separator membrane concept. The project aims to improve performance, operation pressure and...... reduce system cost. The project supports DTU Energy's activities on electrodes within the larger FCH-JU project. The overall project demonstrated: improved electrode efficiency also during cyclic operation, safe gas purity at a system pressure of 30 bar, 10 kW stack operation and estimated system costs...

  5. Alkaline carbonates in blast furnace process

    Directory of Open Access Journals (Sweden)

    P. Besta

    2014-10-01

    Full Text Available The production of iron in blast furnaces is a complex of physical, chemical and mechanical processes. The input raw materials contain not only metallic components, but also a number of negative elements. The most important negative elements include alkaline carbonates. They can significantly affect the course of the blast furnace process and thus the overall performance of the furnace. As a result of that, it is essential to accurately monitor the alkali content in the blast furnace raw materials. The article analyzes the alkali content in input and output raw materials and their impact on the blast furnace process.

  6. Long-term landscape evolution of the southeast Brazilian highlands: comparison of two alkaline intrusions areas

    Science.gov (United States)

    Doranti Tiritan, Carolina; Hackspacher, Peter Christian; Glasmacher, Ulrich Anton

    2016-04-01

    . In the SSI area the crystalline basement registered ages 121.1±11.5 Ma and 49.4±4.8 while the alkaline stocks ages ranges 112.5±13; 91.1±11.2Ma; 89.4±13.4 88.2±8.5; 71.3±7.9. The results shows that the main difference between the areas is that PCAM region register older history then the coastal area of SSI, where thermal history starts register cooling event after the South Atlantic rifting process, while in the PCAM area register a previous history, since Carboniferous. The age-elevation relationship shows that the ages decrease systematically with increasing elevation with a break-in-slope near the 150Ma, 80Ma and around 50Ma, which means that the landscape evolution can be associated with several distinct exhumation events at the South American passive continental margin, which include the Gondwana break-up, the Late Cretaceous alkaline magmatism, and the Cenozoic evolution of a N-S trending continental graben system. We are thankful to CAPES/PROBRAL/ processo 12809/13-6, Marli Carina Siqueira Ribeiro, IGCE-UNESP; Earth Sciences Institut, Heidelberg University; References DORANTI-TIRITAN, C. , et al (2014) The Use of the Stream Length-Gradient Index in Morphotectonic Analysis of Drainage Basins in Poços de Caldas Plateau, SE Brazil. International Journal of Geosciences, 5, 1383-1394. doi: 10.4236/ijg.2014.511112 HACKSPACHER, P.C; et al. (2004) Consolidation and Break-Up of The South American Platform in Southeastern Brazil: Tectonothermal and Denudation Histories. Gondwana Research -N°1, P. 91 -101.

  7. NASA Earth Exchange (NEX)

    Data.gov (United States)

    National Aeronautics and Space Administration — The NASA Earth Exchange (NEX) represents a new platform for the Earth science community that provides a mechanism for scientific collaboration and knowledge...

  8. EarthKAM

    Data.gov (United States)

    National Aeronautics and Space Administration — Sponsored by NASA, EarthKAM (Earth Knowledge Acquired by Middle School Students) is an educational outreach program allowing middle school students to take pictures...

  9. Alkaline chemistry of transuranium elements and technetium and the treatment of alkaline radioactive wastes

    International Nuclear Information System (INIS)

    Goal of this survey is to generalize the known data on fundamental physical-chemical properties of TRUs and Tc, methods for their isolation, and to provide recommendations that will be useful for partitioning them from alkaline high-level wastes

  10. Alkaline chemistry of transuranium elements and technetium and the treatment of alkaline radioactive wastes

    Energy Technology Data Exchange (ETDEWEB)

    Delegard, C.H. [Westinghouse Hanford Co., Richland, WA (United States); Peretrukhin, V.F.; Shilov, V.P.; Pikaev, A.K. [Russian Academy of Sciences (Russian Federation). Inst. of Physical Chemistry

    1995-05-01

    Goal of this survey is to generalize the known data on fundamental physical-chemical properties of TRUs and Tc, methods for their isolation, and to provide recommendations that will be useful for partitioning them from alkaline high-level wastes.

  11. Stability in alkaline aqueous electrolyte of air electrode protected with fluorinated interpenetrating polymer network membrane

    Science.gov (United States)

    Bertolotti, Bruno; Messaoudi, Houssam; Chikh, Linda; Vancaeyzeele, Cédric; Alfonsi, Séverine; Fichet, Odile

    2015-01-01

    We developed original anion exchange membranes to protect air electrodes operating in aqueous lithium-air battery configuration, i.e. supplied with atmospheric air and in concentrated aqueous lithium hydroxide. These protective membranes have an interpenetrating polymer network (IPN) architecture combining a hydrogenated cationic polyelectrolyte network based on poly(epichlorohydrin) (PECH) and a fluorinated neutral network based on perfluoropolyether (Fluorolink® MD700). Two phases, each one rich in one of the polymer, are co-continuous in the materials. This morphology allows combining their properties according to the weight proportions of each polymer. Thus, PECH/Fluorolink IPNs show ionic conductivity varying from 1 to 2 mS cm-1, water uptake from 30 to 90 wt.% and anionic transport number from 0.65 to 0.80 when the PECH proportion varies from 40 to 90 wt.%. These membranes have been systematically assembled on air electrodes. Air electrode protected with PECH/Fluorolink 70/30 IPN shows outstanding stability higher than 1000 h, i.e. a 20-fold increase in the lifetime of the non-modified electrode. This efficient membrane/air electrode assembly is promising for development of alkaline electrolyte based storage or production energy systems, such as metal air batteries or alkaline fuel cells.

  12. Alkaline deoxygenated graphene oxide as adsorbent for cadmium ions removal from aqueous solutions.

    Science.gov (United States)

    Liu, Jun; Du, Hongyan; Yuan, Shaowei; He, Wanxia; Yan, Pengju; Liu, Zhanhong

    2015-01-01

    Alkaline deoxygenated graphene oxide (aGO) was prepared through alkaline hydrothermal treatment and used as adsorbent to remove Cd(II) ions from aqueous solutions for the first time. The characterization results of transmission electron microscopy, X-ray diffraction, Raman spectroscopy, and Fourier transform infrared (FT-IR) spectra indicate that aGO was successfully synthesized. The batch adsorption experiments showed that the adsorption kinetics could be described by the pseudo-second-order kinetic model, and the isotherms equilibrium data were well fitted with the Langmuir model. The maximum adsorption capacity of Cd(II) on aGO was 156 mg/g at pH 5 and T=293 K. The adsorption thermodynamic parameters indicated that the adsorption process was a spontaneous and endothermic reaction. The mainly adsorption mechanism speculated from FT-IR results may be attributed to the electrostatic attraction between Cd2+ and negatively charged groups (-CO-) of aGO and cation-π interaction between Cd2+ and the graphene planes. The findings of this study demonstrate the potential utility of the nanomaterial aGO as an effective adsorbent for Cd(II) removal from aqueous solutions. PMID:26038925

  13. Low serum alkaline phosphatase activity in Wilson's disease.

    Science.gov (United States)

    Shaver, W A; Bhatt, H; Combes, B

    1986-01-01

    Low values for serum alkaline phosphatase activity were observed early in the course of two patients with Wilson's disease presenting with the combination of severe liver disease and Coombs' negative acute hemolytic anemia. A review of other cases of Wilson's disease revealed that 11 of 12 patients presenting with hemolytic anemia had values for serum alkaline phosphatase less than their respective sex- and age-adjusted mean values; in eight, serum alkaline phosphatase activity was less than the lower value for the normal range of the test. Low values for serum alkaline phosphatase were much less common in Wilson's disease patients with more chronic forms of presentation. Copper added in high concentration to serum in vitro did not have an important effect on serum alkaline phosphatase activity. The mechanism responsible for the decrease in serum alkaline phosphatase activity in patients is uncertain.

  14. Cation-cation interactions, magnetic communication and reactivity of the pentavalent uraniumion [U(NR)2]+

    Energy Technology Data Exchange (ETDEWEB)

    Spencer, Liam P [Los Alamos National Laboratory; Schelter, Eric J [Los Alamos National Laboratory; Boncella, James M [Los Alamos National Laboratory; Yang, Ping [Los Alamos National Laboratory; Gsula, Robyn L [NON LANL; Scott, Brian L [Los Alamos National Laboratory; Thompson, Joe D [Los Alamos National Laboratory; Kiplinger, Jacqueline L [Los Alamos National Laboratory; Batista, Enrique R [Los Alamos National Laboratory

    2009-01-01

    The dimeric bis(imido) uranium complex [{l_brace}U(NtBu)2(I)(tBu2bpy){r_brace}2] (see picture; U green, N blue, I red) has cation-cation interactions between [U(NR)2]+ ions. This f1-f1 system also displays f orbital communication between uranium(V) centers at low temperatures, and can be oxidized to generate uranium(VI) bis(imido) complexes.

  15. DNA DAMAGE QUANTITATION BY ALKALINE GEL ELECTROPHORESIS.

    Energy Technology Data Exchange (ETDEWEB)

    SUTHERLAND,B.M.; BENNETT,P.V.; SUTHERLAND, J.C.

    2004-03-24

    Physical and chemical agents in the environment, those used in clinical applications, or encountered during recreational exposures to sunlight, induce damages in DNA. Understanding the biological impact of these agents requires quantitation of the levels of such damages in laboratory test systems as well as in field or clinical samples. Alkaline gel electrophoresis provides a sensitive (down to {approx} a few lesions/5Mb), rapid method of direct quantitation of a wide variety of DNA damages in nanogram quantities of non-radioactive DNAs from laboratory, field, or clinical specimens, including higher plants and animals. This method stems from velocity sedimentation studies of DNA populations, and from the simple methods of agarose gel electrophoresis. Our laboratories have developed quantitative agarose gel methods, analytical descriptions of DNA migration during electrophoresis on agarose gels (1-6), and electronic imaging for accurate determinations of DNA mass (7-9). Although all these components improve sensitivity and throughput of large numbers of samples (7,8,10), a simple version using only standard molecular biology equipment allows routine analysis of DNA damages at moderate frequencies. We present here a description of the methods, as well as a brief description of the underlying principles, required for a simplified approach to quantitation of DNA damages by alkaline gel electrophoresis.

  16. Advanced inorganic separators for alkaline batteries

    Science.gov (United States)

    Sheibley, D. W. (Inventor)

    1982-01-01

    A flexible, porous battery separator comprising a coating applied to a porous, flexible substrate is described. The coating comprises: (1) a thermoplastic rubber-based resin which is insoluble and unreactive in the alkaline electrolyte; (2) a polar organic plasticizer which is reactive with the alkaline electrolyte to produce a reaction product which contains a hydroxyl group and/or a carboxylic acid group; and (3) a mixture of polar particulate filler materials which are unreactive with the electrolyte, the mixture comprising at least one first filler material having a surface area of greater than 25 meters sq/gram, at least one second filler material having a surface area of 10 to 25 sq meters/gram, wherein the volume of the mixture of filler materials is less than 45% of the total volume of the fillers and the binder, the filler surface area per gram of binder is about 20 to 60 sq meters/gram, and the amount of plasticizer is sufficient to coat each filler particle. A method of forming the battery separator is also described.

  17. The effect of alkaline agents on retention of EOR chemicals

    Energy Technology Data Exchange (ETDEWEB)

    Lorenz, P.B.

    1991-07-01

    This report summarizes a literature survey on how alkaline agents reduce losses of surfactants and polymers in oil recovery by chemical injection. Data are reviewed for crude sulfonates, clean anionic surfactants, nonionic surfactants, and anionic and nonionic polymers. The role of mineral chemistry is briefly described. Specific effects of various alkaline anions are discussed. Investigations needed to improve the design of alkaline-surfactant-polymer floods are suggested. 62 refs., 28 figs., 6 tabs.

  18. A Special Issue (Part-II): Mafic-ultramafic rocks and alkaline-carbonatitic magmatism and associated hydrothermal mineralization - dedication to Lia Nikolaevna Kogarko

    Science.gov (United States)

    Kogarko, Lia N.; Gwalani, Lalchand G.; Downes, Peter J.; Randive, Kirtikumar R.

    2015-10-01

    This is the second part of a two-volumespecial issue of Open Geoscience (formerly Central European Journal of Geosciences) that aims to be instrumental in providing an update of Mafic-Ultramafic Rocks and Alkaline- Carbonatitic Magmatism and Associated Hydrothermal Mineralization. Together, these two volumes provide a detailed and comprehensive coverage of the subjects that are relevant to the research work of P.Comin-Chiaramonti (Italy) and LiaN. Kogarko (Russia) towhomPart-I and Part- II have been respectively dedicated. To a significant extent, the development of advanced sampling technologies related to alkaline and carbonatitic magmatism by Lia N. Kogarko, has allowed geoscientists to measure and sample the deep crust of the planet not only for the exploration for the mineral deposits, but also to answer basic scientific questions about the origin and evolution of alkaline rocks (kimberlites, lamproites and related rocks associated with carbonatites). The papers presented in this Part-II of the special issue cover the petrology and geochemistry of the rocks collected from the surface and penetrated by drilling. Lia Kogarko proposed a new theory for the evolution of alkaline magmatism in the geological history of the Earth - that the appearance of alkaline magmatism at the Archaean-Proterozoic boundary (~2.5 - 2.7 Ga), and its growing intensity, was related to changes in the geodynamic regime of the Earth and oxidation of the mantle due to mantle-crust interaction.

  19. Hydrophobically Associating Polyethylenimine for Controlling Dissolved and Colloidal Substances of Alkaline Peroxide Mechanical Pulp

    Directory of Open Access Journals (Sweden)

    Guang-lei Zhao

    2014-01-01

    Full Text Available In a paper mill’s water circuit, normal runnability of the paper machine is often disturbed due to buildup of hydrophobic dissolved and colloidal substances (DCS, such as wood pitch, white pitch, and stickies. General cationic fixing agents such as hydrophilic polymers do not always work to minimize these problems. In the present study, two kinds of novel hydrophobically associating polyethylenimine (PEI coagulants grafted by acetic anhydride and 1,2-epoxydodecane, named PEI-Ac and PEI-Ed, respectively, were synthesized to remove hydrophobic DCS. The performances of the modified PEI samples were evaluated using a model suspension containing alkaline peroxide mechanical pulp (APMP and styrene-butadiene latex. The results showed that the modified PEI was more inclined to interact with hydrophobic substances than was non-modified PEI. The relationship between DCS removal and non-modified or modified PEI content was not linear, but there was a maximum. The turbidity and particle counts of model suspensions decreased 30% and 80%, respectively, when the dosage of PEI-Ed(a was 0.025%. Compared with the 72.8% decrease in the case of non-modified PEI, cationic demand decreased by 67.7% when the PEI-Ed(a concentration was 0.2%. It was also found that PEI-Ed had a better affinity for DCS than PEI-Ac, which may be because the PEI-Ed had a long hydrophobic chain.

  20. Novolacs With Alternating P-Cresol & Polyhydroxyphenyl Monomer Units: Developer Cationic Effects And Thermal Properties

    Science.gov (United States)

    Blakeney, Andrew J.; Jeffries, Alfred T.; Wehrle, John J.; Gardner, Wesley M.

    1988-01-01

    Novolacs which alternate p-cresol monomer units with polyhydroxyphenyl monomer units have been synthesized by acid catalyzed condensation of 2,6-bis(hydroxymethyl)-p-cresol with polyhydroxybenzenes such as resorcinol or 4-chlororesorcinol. These novolacs are highly alkaline soluble and exhibit improved glass transition temperatures relative to conventional novolacs. Unexpected developer cation effects have been observed on the dissolution times of some of these novolacs. The effect of molecular weight on these effects will be discussed for one system. The dissolution discrimination and inhibition of a 4- chlororesorcinol containing novolac was examined relative to a standard m-,p-cresol novolac and polyvinyl phenol. Images produced from a resist using a p-cresol/ 4-chlororesorcinol novolac showed no significant image degradation at 200 degrees C.

  1. From Geochemistry to Biochemistry: Simulating Prebiotic Chemistry Driven by Geochemical Gradients in Alkaline Hydrothermal Vents

    Science.gov (United States)

    Barge, Laurie

    2016-07-01

    Planetary water-rock interfaces generate energy in the form of redox, pH, and thermal gradients, and these disequilibria are particularly focused in hydrothermal vent systems where the reducing, heated hydrothermal fluid feeds back into the more oxidizing ocean. Alkaline hydrothermal vents have been proposed as a likely location for the origin of life on the early Earth due to various factors: including the hydrothermal pH / Eh gradients that resemble the ubiquitous electrical / proton gradients in biology, the catalytic hydrothermal precipitates that resemble inorganic catalysts in enzymes, and the presence of electron donors and acceptors in hydrothermal systems (e.g. H2 + CH4 and CO2) that are thought to have been utilized in the earliest metabolisms. Of particular importance for the emergence of metabolism are the mineral "chimneys" that precipitate at the vent fluid / seawater interface. Hydrothermal chimneys are flow-through chemical reactors that form porous and permeable inorganic membranes transecting geochemical gradients; in some ways similar to biological membranes that transect proton / ion gradients and harness these disequilibria to drive metabolism. These emergent chimney structures in the far-from-equilibrium system of the alkaline vent have many properties of interest to the origin of life that can be simulated in the laboratory: for example, they can generate electrical energy and drive redox reactions, and produce catalytic minerals (in particular the metal sulfides and iron oxyhydroxides - "green rust") that can facilitate chemical reactions towards proto-metabolic cycles and biosynthesis. Many of the factors prompting interest in alkaline hydrothermal vents on Earth may also have been present on early Mars, or even presently within icy worlds such as Europa or Enceladus - thus, understanding the disequilibria and resulting prebiotic chemistry in these systems can be of great use in assessing the potential for other environments in the Solar

  2. Structurally Distinct Cation Channelrhodopsins from Cryptophyte Algae.

    Science.gov (United States)

    Govorunova, Elena G; Sineshchekov, Oleg A; Spudich, John L

    2016-06-01

    Microbial rhodopsins are remarkable for the diversity of their functional mechanisms based on the same protein scaffold. A class of rhodopsins from cryptophyte algae show close sequence homology with haloarchaeal rhodopsin proton pumps rather than with previously known channelrhodopsins from chlorophyte (green) algae. In particular, both aspartate residues that occupy the positions of the chromophore Schiff base proton acceptor and donor, a hallmark of rhodopsin proton pumps, are conserved in these cryptophyte proteins. We expressed the corresponding polynucleotides in human embryonic kidney (HEK293) cells and studied electrogenic properties of the encoded proteins with whole-cell patch-clamp recording. Despite their lack of residues characteristic of the chlorophyte cation channels, these proteins are cation-conducting channelrhodopsins that carry out light-gated passive transport of Na(+) and H(+). These findings show that channel function in rhodopsins has evolved via multiple routes. PMID:27233115

  3. Radiation chemistry of aromatic dimer radical cations

    International Nuclear Information System (INIS)

    π-π Interactions of aromatic molecules are paid attention much in many fields, especially biology, chemistry, and applied physics, represented as protein, DNA, electron donor-accepter complexes, charge transfers, and self assembly molecules. Aromatic molecules including benzene rings are the simplest case to study the π-π interactions. To interpret the charge resonance (CR) structure in the dimer radical cations, spectroscopic and ESR methods have been carried out. The spectroscopic study on the dimer radical ion of molecules with two chromophores would be profitable to identify the electronic and configurational properties. In this article, dynamics of the dimer radical cation of benzenes, polystyrenes, and resist polymers is described on the basis of direct observation of CR band by the nanosecond pulse radiolysis and low temperature γ-radiolysis methods. (author)

  4. Cation Permeability in Soybean Aleurone Layer

    OpenAIRE

    Noda, Hiroko; Fukuda, Mitsuru

    1998-01-01

    The permeation of water and ions into bean seeds is essential for processing and cooking of beans. The permeability of cations, K, Na, Ca, and Mg ions, into soybean seed tissue, especially aleurone layer, during water uptake was investigated to characterize the ion permeation into soybeans. Aleurone layers and seed coats contained relatively high concentration of endogenous K and Ca ions, and endogenous Ca ion, respectively. The amounts of Ca ion entered seed coats and aleurone layers were gr...

  5. Dolomite Dissolution in Alkaline Cementious Media

    Science.gov (United States)

    Mittermayr, Florian; Klammer, Dietmar; Köhler, Stephan; Dietzel, Martin

    2010-05-01

    Chemical alteration of concrete has gained much attention over the past years as many cases of deterioration due to sulphate attack, thaumasite formation (TSA) or alkali silica reactions (ASR) have been reported in various constructions (Schmidt et al, 2009). Much less is known about the so called alkali carbonate reaction (ACR). It is believed that dolomite aggregates can react with the alkalis from the cement, dissolve and form calcite and brucite (Katayama, 2004). Due to very low solubility of dolomite in alkaline solutions this reaction seems doubtful. In this study we are trying to gain new insides about the conditions that can lead to the dissolution of dolomite in concrete. Therefore we investigated concrete samples from Austrian tunnels that show partially dissolved dolomite aggregates. Petrological analysis such as microprobe, SEM and Raman spectroscopy as well as a hydrochemical analysis of interstitial solutions and ground water and modelling with PhreeqC (Parkhurst and Appelo, 1999) are carried out. In addition a series of batch experiments is set up. Modelling approaches by PhreeqC show a thermodynamically possibility in the alkaline range when additional Ca2+ in solution causes dolomite to become more and more undersaturated as calcite gets supersaturated. Interacting ground water is enriched in Ca2+and saturated with respect to gypsum as marine evaporites are found in situ rocks. Furthermore it is more likely that Portlandite (Ca(OH)2) plays a more important role than Na and K in the cement. Portlandite acts as an additional Ca2+ source and is much more abundant than the alkalies. Some interstitial solutions are dominated mainly by Na+ and SO42- and reach concentrations up to 30 g/l TDS. It is believed that solutions can even reach thenardite saturation as efflorescences are found on the tunnel walls. In consequence dolomite solubility increases with increasing ionic strength. pH > 11 further accelerate the process of dedolomitization by the removal

  6. Limited data speaker identification

    Indian Academy of Sciences (India)

    H S Jayanna; S R Mahadeva Prasanna

    2010-10-01

    In this paper, the task of identifying the speaker using limited training and testing data is addressed. Speaker identification system is viewed as four stages namely, analysis, feature extraction, modelling and testing. The speaker identification performance depends on the techniques employed in these stages. As demonstrated by different experiments, in case of limited training and testing data condition, owing to less data, existing techniques in each stage will not provide good performance. This work demonstrates the following: multiple frame size and rate (MFSR) analysis provides improvement in the analysis stage, combination of mel frequency cepstral coefficients (MFCC), its temporal derivatives $(\\Delta,\\Delta \\Delta)$, linear prediction residual (LPR) and linear prediction residual phase (LPRP) features provides improvement in the feature extraction stage and combination of learning vector quantization (LVQ) and gaussian mixture model – universal background model (GMM–UBM) provides improvement in the modelling stage. The performance is further improved by integrating the proposed techniques at the respective stages and combining the evidences from them at the testing stage. To achieve this, we propose strength voting (SV), weighted borda count (WBC) and supporting systems (SS) as combining methods at the abstract, rank and measurement levels, respectively. Finally, the proposed hierarchical combination (HC) method integrating these three methods provides significant improvement in the performance. Based on these explorations, this work proposes a scheme for speaker identification under limited training and testing data.

  7. Crystallographic studies on shrimp alkaline phosphatase

    NARCIS (Netherlands)

    Backer, M.M.E. (Maaike Maria Eva)

    2003-01-01

    The earth has large cold areas, such as mountains, oceans and (ant)arctic regions, in which organisms have evolved to survive. This adaptation happens at a molecular level. The question is, how do proteins adjust such that they function at low temperatures? "Cold-active" or "cold-adapted" enzymes ha

  8. Geochemical Modeling of pH Neutralization of High Alkaline-Saline Waste Fluids in Unsaturated Sediments

    Science.gov (United States)

    Zhang, G.; Zheng, Z.

    2004-12-01

    Leakage of high alkaline-saline fluids, such as those stored in Hanford, a site of the U.S. Department of Energy (DOE) in Washington State, has raised attention of scientific community. These fluids have unique thermodynamic and physical properties. Chemical components in the fluids are incompletely dissociated, especially those containing divalent or polyvalent ions. A number of laboratory experiments through injecting synthetic high alkaline-saline fluids (up to 10M of sodium nitrate, pH >12) into the sediments sampled from the DOE Hanford site were conducted to study the reactive transport processes of the fluids in subsurface environments. The experimental results observed show that the composition of the high alkaline sodium nitrate fluids can be drastically changed due to fluid-rock interactions, and eventually lead to pH neutralization of the fluid in the plume front. The dominant fluid-rock interactions are cation exchanges (Na+-K+-Ca+2-Mg+2-H+), precipitation of calcium and magnesium minerals, and dissolution of silica. In order to precisely model the reactive transport of these processes, a coupling of the Pitzer's ion-interaction geochemical model and a flow and transport model would be highly needed. The extended existing reactive geochemical transport code, BIO-CORE2Dc, incorporating a comprehensive Pitzer ion-interaction model, is capable of predicting the experimental observations. In addition, the developed model was tested against two reported cases. In both cases, the measured mean ionic activity coefficients were well reproduced by our model, while the Debye-Hückel model, usually used to calculate aqueous species activities in dilute solutions, was unable to predict the experimental data. Finally, modeling study based on our laboratory column experiment was performed. Our simulation is able to capture the observed pH trends, changes in exchangeable cations such as Ca+2, Mg+2, and formation of secondary precipitation phases in the plume front.

  9. Hydrogen in aluminum during alkaline corrosion

    Energy Technology Data Exchange (ETDEWEB)

    Adhikari, Saikat; Ai, Jiahe [Department of Chemical and Biological Engineering, Iowa State University, Ames, IA 50011 (United States); Hebert, Kurt R., E-mail: krhebert@iastate.ed [Department of Chemical and Biological Engineering, Iowa State University, Ames, IA 50011 (United States); Ho, K.M.; Wang, C.Z. [US DOE, Ames Laboratory, Ames, IA 50011 (United States)] [Department of Physics and Astronomy, Iowa State University, Ames, IA 50011 (United States)

    2010-07-30

    The thermodynamic state of hydrogen in aluminum during alkaline corrosion was investigated, using a two-compartment hydrogen permeation cell with an Al/Pd bilayer membrane. The open-circuit potential of the Pd layer in a pH 7.0 buffer solution was monitored to sense the hydrogen chemical potential, {mu}{sub H}. At pH 12.5-13.5, the measurements established a minimum {mu}{sub H} of 0.55 eV relative to the ideal gas reference, equivalent to a H{sub 2} gas pressure of 5.7 GPa. Statistical mechanics calculations show that vacancy-hydrogen defects are stable in Al at this condition. A dissolution mechanism was proposed in which H at very high {mu}{sub H} is produced by oxidation of interfacial aluminum hydride. The mechanism explains the observed rapid accumulation of H in the metal by extensive formation of vacancy-hydrogen defects.

  10. Alkaline lixiviation of uranium in granitic pegmatite

    International Nuclear Information System (INIS)

    The work described herein concerns the determination of the experimental optimum conditions for the alkaline lixiviation of uranium based on the following parameters: time, pH, temperature, density and grane size. The samples were obtained from the Supamo complex, near the Currupia river in the Piar District of the Bolivar State in Venezuela. They have a granitic composition and graphitic texture. The uranium was found in them as a secondary oxidized mineral of green-yellow colour localized in fractures fissures, intergranular spaces and also in the mica as. Secondary uranitite. The lixiviation process was carried out using Na2CO3/NaHCO3 buffer solution and for 100 gr. samples the best values for an efficient process were found by using 170 mesh grane size and 500 ml of pH buffer at 700C for a 24 hour time period. (author)

  11. Alkaline oxide conversion coatings for aluminum alloys

    Energy Technology Data Exchange (ETDEWEB)

    Buchheit, R.G.

    1996-02-01

    Three related conversion coating methods are described that are based on film formation which occurs when aluminum alloys are exposed to alkaline Li salt solutions. Representative examples of the processing methods, resulting coating structure, composition and morphology are presented. The corrosion resistance of these coatings to aerated 0.5 M NaCl solution has been evaluated as a function of total processing time using electrochemical impedance spectroscopy (EIS). This evaluation shows that excellent corrosion resistance can be uniformly achieved using no more than 20 minutes of process time for 6061-T6. Using current methods a minimum of 80 minutes of process time is required to get marginally acceptable corrosion resistance for 2024-T3. Longer processing times are required to achieve uniformly good corrosion resistance.

  12. Alkaline pulping of some eucalypts from Sudan.

    Science.gov (United States)

    Khristova, P; Kordsachia, O; Patt, R; Dafaalla, S

    2006-03-01

    Four eucalypts (Eucalyptus camaldulensis, Eucalyptus microtheca, Eucalyptus tereticornis and Eucalyptus citriodora) grown in Sudan were examined for their suitability for pulping and papermaking with different alkaline methods. Their physical, morphological and chemical characteristics are reported. The pulping trials with E. citriodora and E. tereticornis were carried out using the kraft-AQ, soda-AQ, modified AS/AQ (ASA), ASAM and kraft methods. For the other two species, only the ASAM and the kraft process were applied. ASAM pulping gave the best results in terms of yield, degree of delignification, mechanical and optical pulp properties. The best pulps, obtained in kraft and ASAM cooking of E. citriodora, were bleached to 88% ISO brightness in a totally chlorine free bleaching sequence (OQ1O/PQ2P). The bleached pulps, especially the ASAM pulp, showed good papermaking properties and would be suitable for manufacture of writing and printing grades of paper. PMID:15935655

  13. Solubility of some alkali and alkaline earth chlorides in water at moderate temperatures

    Science.gov (United States)

    Clynne, M.A.; Potter, R.W.

    1979-01-01

    Solubilities for the binary systems, salt-H2O, of the chlorides of lithium, rubidium, cesium, magnesium, calcium, strontium, and barium from near 0??C to the saturated boiling point are reported. The experimental data and coefficients of an equation for a smoothed curve describing each system are listed in the tables. The data are improvements on those previously reported in the literature, having a precision on the average of ??0.09%.

  14. Resonant Rydberg Dressing of Alkaline-Earth Atoms via Electromagnetically Induced Transparency

    Science.gov (United States)

    Gaul, C.; DeSalvo, B. J.; Aman, J. A.; Dunning, F. B.; Killian, T. C.; Pohl, T.

    2016-06-01

    We develop an approach to generate finite-range atomic interactions via optical Rydberg-state excitation and study the underlying excitation dynamics in theory and experiment. In contrast to previous work, the proposed scheme is based on resonant optical driving and the establishment of a dark state under conditions of electromagnetically induced transparency (EIT). Analyzing the driven dissipative dynamics of the atomic gas, we show that the interplay between coherent light coupling, radiative decay, and strong Rydberg-Rydberg atom interactions leads to the emergence of sizable effective interactions while providing remarkably long coherence times. The latter are studied experimentally in a cold gas of strontium atoms for which the proposed scheme is most efficient. Our measured atom loss is in agreement with the theoretical prediction based on binary effective interactions between the driven atoms.

  15. Structure, biodegradation behavior and cytotoxicity of alkali-containing alkaline-earth phosphosilicate glasses.

    Science.gov (United States)

    Kansal, Ishu; Reddy, AlluAmarnath; Muñoz, Francisco; Choi, Seong-Jun; Kim, Hae-Won; Tulyaganov, Dilshat U; Ferreira, José M F

    2014-11-01

    We report on the effect of sodium on the structure, chemical degradation and bioactivity of glasses in the CaO-MgO-SiO2-P2O5-CaF2 system. The (29)Si and (31)P magic angle spinning-nuclear magnetic resonance spectroscopy of melt-quenched glasses with varying Na2O/MgO ratios exhibit a silicate glass network with the dominance of Q(2)(Si) units and phosphorus mainly forming orthophosphate species. Sodium incorporation in the glasses did not induce a significant structural change in the silicate network, while it did influence the phosphate environment due to its lower ionic field strength in comparison with that of magnesium. The apatite forming ability of glasses has been investigated by immersion of glass powders in simulated body fluid (SBF) for time durations varying between 1h and 7 days while their chemical degradation has been studied in Tris-HCl in accordance with ISO-10993-14. Increasing Na(+)/Mg(2+) ratio caused a decrease in the chemical durability of glasses and in the apatite forming ability especially during initial steps of interaction between glass and SBF solution. The cellular responses were observed in vitro on bulk glass samples using mouse-derived pre-osteoblastic MC3T3-E1 cell line. The preliminary study suggested that the increasing alkali-concentration in glasses led to cytotoxicity in the cell culture medium. PMID:25280692

  16. Alkaline-earth oxide network modifier on optical properties of Ce3+-activated borogermanate glasses

    Science.gov (United States)

    Sun, Xin-Yuan; Xiao, Zhuo-Hao; Zhong, Jiu-Ping

    2015-12-01

    Transparent and colorless CeO2-activated borogermanate glasses, with the nominal composition of 25B2O3-40GeO2-14Gd2O3-1CeO2-20MO (M = Ba, Sr, Ca and Mg), were synthesized by a melt-quenching method in air. Their optical properties including the transmittance, photoluminescence (excitation and emission spectra), the luminescence decay curves, as well as the temperature-dependent emission spectra were studied in detail. The room temperature photoluminescence spectra reveal that the emission intensity of the MgO glass is about two times stronger than that of the BaO glass. The blue shift of the cut-off edge, excitation and emission spectra of Ce3+-activated borogermanate glass were clearly observed in the order of BaO, SrO, CaO and MgO. And the emission intensity of Ce3+ ions as a function of temperature range in 325-475 K was also investigated.

  17. Photoassociation spectroscopy of cold alkaline earth atoms near the intercombination line

    CERN Document Server

    Ciurylo, R; Kotochigova, S; Julienne, P S

    2004-01-01

    The properties of photoassociation (PA) spectra near the intercombination line (the weak transition between $^{1}S_{0}$ and $^{3}P_{1}$ states) of group II atoms are theoretically investigated. As an example we have carried out a calculation for Calcium atoms colliding at ultra low temperatures of 1 mK, 1 $\\mu$K, and 1 nK. Unlike in most current photoassociation spectroscopy the Doppler effect can significantly affect the shape of the investigated lines. Spectra are obtained using Ca--Ca and Ca--Ca$^*$ short-range {\\it ab initio} potentials and long-range van der Waals and resonance dipole potentials. The similar van der Waals coefficients of ground $^{1}S_{0} + ^{1}S_{0}$ and excited $^{1}S_{0} + ^{3}P_{1}$ states cause the PA to differ greatly from those of strong, allowed transitions with resonant dipole interactions. The density of spectral lines is lower, the Condon points are at relatively short range, and the reflection approximation for the Franck-Condon factors is not applicable, and the spontaneous ...

  18. Adsorption of alkali and alkaline earth radionuclides on zeolite from water solutions

    International Nuclear Information System (INIS)

    The adsorption of cesium and strontium ions from water solutions on zeolite has been investigated in presence of sodium, potassium, magnesium and calcium ions. Distribution ratios of cesium and strontium on the zeolite were determined in solutions of various compositions and solution volume to sorbent weight ratios (batch factor). Breakthrough curves for zeolite layers are reported. (author) 7 refs.; 4 figs

  19. Synthesis and properties of mixed alkali-metal–alkaline-earth fullerides

    NARCIS (Netherlands)

    Barbedette, L.; Fischer, J.E.; Bendele, G.M.; Stephens, P.W.; Lin, C.L.; Goze, C.; Rachdi, F.; Robert, J.; Petit, P.; Palstra, T.T.M.

    1996-01-01

    A new class of fullerides, MBa2C60 (M=K, Rb, or Cs) and MBaCsC60, allows us to study the effect of molecular valence on electronic structure while maintaining the crystal structure of M3C60 superconductors. X-ray diffraction and Raman scattering show that these are face-centered cubic with pentavale

  20. Structure, biodegradation behavior and cytotoxicity of alkali-containing alkaline-earth phosphosilicate glasses

    Energy Technology Data Exchange (ETDEWEB)

    Kansal, Ishu; Reddy, AlluAmarnath [Department of Materials and Ceramics Engineering, University of Aveiro, CICECO, 3810-193 Aveiro (Portugal); Muñoz, Francisco [Ceramics and Glass Institute (CSIC), Kelsen 5, 28049 Madrid (Spain); Choi, Seong-Jun [Department of Nanobiomedical Science and BK21 PLUS NBM Global Research Center for Regenerative Medicine, Dankook University, Cheonan 330714 (Korea, Republic of); Institute of Tissue Regeneration Engineering (ITREN), Dankook University, Cheonan 330714 (Korea, Republic of); Kim, Hae-Won [Department of Nanobiomedical Science and BK21 PLUS NBM Global Research Center for Regenerative Medicine, Dankook University, Cheonan 330714 (Korea, Republic of); Institute of Tissue Regeneration Engineering (ITREN), Dankook University, Cheonan 330714 (Korea, Republic of); Department of Biomaterials Science, College of Dentistry, Dankook University, Cheonan 330714 (Korea, Republic of); Tulyaganov, Dilshat U. [Turin Polytechnic University in Tashkent, 100095 Tashkent (Uzbekistan); Ferreira, José M.F., E-mail: jmf@ua.pt [Department of Materials and Ceramics Engineering, University of Aveiro, CICECO, 3810-193 Aveiro (Portugal)

    2014-11-01

    We report on the effect of sodium on the structure, chemical degradation and bioactivity of glasses in the CaO–MgO–SiO{sub 2}–P{sub 2}O{sub 5}–CaF{sub 2} system. The {sup 29}Si and {sup 31}P magic angle spinning-nuclear magnetic resonance spectroscopy of melt-quenched glasses with varying Na{sub 2}O/MgO ratios exhibit a silicate glass network with the dominance of Q{sup 2}(Si) units and phosphorus mainly forming orthophosphate species. Sodium incorporation in the glasses did not induce a significant structural change in the silicate network, while it did influence the phosphate environment due to its lower ionic field strength in comparison with that of magnesium. The apatite forming ability of glasses has been investigated by immersion of glass powders in simulated body fluid (SBF) for time durations varying between 1 h and 7 days while their chemical degradation has been studied in Tris–HCl in accordance with ISO-10993-14. Increasing Na{sup +}/Mg{sup 2+} ratio caused a decrease in the chemical durability of glasses and in the apatite forming ability especially during initial steps of interaction between glass and SBF solution. The cellular responses were observed in vitro on bulk glass samples using mouse-derived pre-osteoblastic MC3T3-E1 cell line. The preliminary study suggested that the increasing alkali-concentration in glasses led to cytotoxicity in the cell culture medium. - Highlights: • Na{sup +} did not induce significant structural changes in chemical Si environment. • Sodium is more prone to affect the chemical environment around P. • Increasing Na{sup +}/Mg{sup 2+} ratios hinder bio-mineralization and chemical durability. • Alkali-containing glasses confer cyto-toxicity to the cell culture medium.

  1. Negative ions in vapors of alkaline earth metal dichlorides. Enthalpy of ion formation

    International Nuclear Information System (INIS)

    Results of investigation into the negative component of Sr and Ba dichloride saturated vapors are presented. Investigations were conducted using ion-molecular equilibrium method which is one of the options of mass-spectrometry method. Cl-, SrCl3-, Sr2Cl5- ions are identified above SrCl2 within 1000-1300 K temperature interval. Based on obtained experimental values and literary data SrCl3- and Sr2Cl5- gaseous ion formation enthalpies, making up respectively -1008±15 and -1769±30 kJ/mol, at 0 K are calculated. 25 refs.; 1 fig.; 4 tabs

  2. Structure, biodegradation behavior and cytotoxicity of alkali-containing alkaline-earth phosphosilicate glasses

    International Nuclear Information System (INIS)

    We report on the effect of sodium on the structure, chemical degradation and bioactivity of glasses in the CaO–MgO–SiO2–P2O5–CaF2 system. The 29Si and 31P magic angle spinning-nuclear magnetic resonance spectroscopy of melt-quenched glasses with varying Na2O/MgO ratios exhibit a silicate glass network with the dominance of Q2(Si) units and phosphorus mainly forming orthophosphate species. Sodium incorporation in the glasses did not induce a significant structural change in the silicate network, while it did influence the phosphate environment due to its lower ionic field strength in comparison with that of magnesium. The apatite forming ability of glasses has been investigated by immersion of glass powders in simulated body fluid (SBF) for time durations varying between 1 h and 7 days while their chemical degradation has been studied in Tris–HCl in accordance with ISO-10993-14. Increasing Na+/Mg2+ ratio caused a decrease in the chemical durability of glasses and in the apatite forming ability especially during initial steps of interaction between glass and SBF solution. The cellular responses were observed in vitro on bulk glass samples using mouse-derived pre-osteoblastic MC3T3-E1 cell line. The preliminary study suggested that the increasing alkali-concentration in glasses led to cytotoxicity in the cell culture medium. - Highlights: • Na+ did not induce significant structural changes in chemical Si environment. • Sodium is more prone to affect the chemical environment around P. • Increasing Na+/Mg2+ ratios hinder bio-mineralization and chemical durability. • Alkali-containing glasses confer cyto-toxicity to the cell culture medium

  3. Photoassociation spectroscopy of cold alkaline earth atoms near the intercombination line

    OpenAIRE

    Ciurylo, R.; Tiesinga, E.; Kotochigova, S.; P.S. Julienne

    2004-01-01

    The properties of photoassociation (PA) spectra near the intercombination line (the weak transition between $^{1}S_{0}$ and $^{3}P_{1}$ states) of group II atoms are theoretically investigated. As an example we have carried out a calculation for Calcium atoms colliding at ultra low temperatures of 1 mK, 1 $\\mu$K, and 1 nK. Unlike in most current photoassociation spectroscopy the Doppler effect can significantly affect the shape of the investigated lines. Spectra are obtained using Ca--Ca and ...

  4. Study the influence of zinc oxide addition on cobalt doped alkaline earth borate glasses

    Energy Technology Data Exchange (ETDEWEB)

    Ahmad, F., E-mail: F.Ahmad378@yahoo.com [Department of Physics, Faculty of Science, Alazhar University (Girls Branch), Nasr City, Cairo (Egypt); Hassan Aly, E. [Department of Physics, Faculty of Science, Ain Shams University, P.O. Box 11566, Abbassia, Cairo (Egypt); Atef, M.; ElOkr, M.M. [Department of Physics, Faculty of Science, Alazhar University, Nasr City, Cairo (Egypt)

    2014-04-01

    Highlights: • The glassy system xZnO–(79.9−x)B{sub 2}O{sub 3}–20BaO–0.1Co{sub 3}O{sub 4} was prepared by a quenching method. • XRD patterns revealed that the amorphous nature of the present glasses matrix. • The results show that Zn{sup 2+} ions occupy both forming and modifying positions. • Optical parameters are reported as a function of ZnO content. - Abstract: The glasses of the composition 79.9B{sub 2}O{sub 3}–20BaO–0.1Co{sub 3}O{sub 4} doped with different concentrations of ZnO (5, 10, 15, 20, 25 and 30 mol%) were prepared using melt quenching technique. Various studies such as XRD, density, theoretical optical basicity, FT-IR and optical absorption have been carried out to study the role of ZnO on the physical and structural properties of the investigated system. Powder X-ray diffraction patterns confirmed the glassy nature of all the glassy samples. The density and molar volume of glassy samples showed opposite behavior to each other. An increment of the theoretical optical basicity with increasing ZnO content, which is due to an increase in the polarizability and a decrease in the single bond strength is observed. FT-IR analysis revealed that an increase in non-bridging oxygen’s (NBO’s) up to ZnO ⩽ 15 mol% and then a decrease at ZnO > 15 mol%. The results indicated that the Zn{sup 2+} ions are likely to occupy network modifier positions at a concentration of ZnO ⩽ 15 mol%. Above which these ions occupy network forming positions. From ultraviolet absorption edges calculations, the optical band gap energy and steepness parameter decrease whilst Urbach energy and refractive index increase by the addition of ZnO up to 15 mol% above which then the behavior follows reversal trend. The values of the crystal field strength and the interelectronic repulsion Racah parameter calculated from the optical transitions energies of cobalt doped glassy samples. All prepared samples exhibit blue color, indicating that mostly Co ions are acted upon by tetrahedral ligand field.

  5. Study the influence of zinc oxide addition on cobalt doped alkaline earth borate glasses

    International Nuclear Information System (INIS)

    Highlights: • The glassy system xZnO–(79.9−x)B2O3–20BaO–0.1Co3O4 was prepared by a quenching method. • XRD patterns revealed that the amorphous nature of the present glasses matrix. • The results show that Zn2+ ions occupy both forming and modifying positions. • Optical parameters are reported as a function of ZnO content. - Abstract: The glasses of the composition 79.9B2O3–20BaO–0.1Co3O4 doped with different concentrations of ZnO (5, 10, 15, 20, 25 and 30 mol%) were prepared using melt quenching technique. Various studies such as XRD, density, theoretical optical basicity, FT-IR and optical absorption have been carried out to study the role of ZnO on the physical and structural properties of the investigated system. Powder X-ray diffraction patterns confirmed the glassy nature of all the glassy samples. The density and molar volume of glassy samples showed opposite behavior to each other. An increment of the theoretical optical basicity with increasing ZnO content, which is due to an increase in the polarizability and a decrease in the single bond strength is observed. FT-IR analysis revealed that an increase in non-bridging oxygen’s (NBO’s) up to ZnO ⩽ 15 mol% and then a decrease at ZnO > 15 mol%. The results indicated that the Zn2+ ions are likely to occupy network modifier positions at a concentration of ZnO ⩽ 15 mol%. Above which these ions occupy network forming positions. From ultraviolet absorption edges calculations, the optical band gap energy and steepness parameter decrease whilst Urbach energy and refractive index increase by the addition of ZnO up to 15 mol% above which then the behavior follows reversal trend. The values of the crystal field strength and the interelectronic repulsion Racah parameter calculated from the optical transitions energies of cobalt doped glassy samples. All prepared samples exhibit blue color, indicating that mostly Co ions are acted upon by tetrahedral ligand field

  6. EPR and optical absorption studies of VO2+ ions in alkaline earth aluminoborate glasses

    International Nuclear Information System (INIS)

    Electron paramagnetic resonance (EPR) and optical absorption studies have been carried out for VO2+ ions in calcium aluminoborate glasses. The EPR spectra of all the glass samples exhibit resonance signals, characteristic of VO2+ ions. The values of spin-Hamiltonian parameters indicate that the VO2+ ions in calcium aluminoborate glasses were present in octahedral co-ordination with a tetragonal compression and belong to C4v symmetry. The number of spins (N) participating in resonance was calculated as a function of concentration as well as temperature. It is observed that variation of N with temperature obeys the Boltzmann law. From the EPR data, the paramagnetic susceptibility (χ) is calculated at various temperatures and the Curie constant (C) was evaluated from the 1/χ-T graph. The Fermi contact interaction parameter (k), dipolar hyperfine coupling parameter (P) have been calculated and these values are found to be independent of V2O5 content and temperature. The optical absorption spectrum exhibits two bands corresponding to the d-d transition 2B2g → 2Eg and 2B2g → 2A1g in the order of increasing energy. The theoretical values of optical basicity (Λth) of the glasses have also been evaluated

  7. Resonant Rydberg-dressing of Alkaline-Earth Atoms via Electromagnetically Induced Transparency

    CERN Document Server

    Gaul, C; Aman, J A; Dunning, F B; Killian, T C; Pohl, T

    2015-01-01

    We develop an approach to generate finite-range atomic interactions via optical Rydberg-state excitation and study the underlying excitation dynamics in theory and experiment. In contrast to previous work, the proposed scheme is based on resonant optical driving and the establishment of a dark state under conditions of electromagnetically induced transparency. Analyzing the driven dissipative dynamics of the atomic gas, we show that the interplay between coherent light coupling, radiative decay and strong Rydberg-Rydberg atom interactions leads to the emergence of sizeable effective interactions while providing remarkably long coherence times. The latter are studied experimentally in a cold gas of Strontium atoms for which the proposed scheme is most efficient. Our measured atom loss is in excellent agreement with the theoretical prediction based on binary effective interactions between the driven atoms.

  8. Mass Spectrometric Observation of Doubly Charged Alkaline-Earth Argon Ions.

    Science.gov (United States)

    Hattendorf, Bodo; Gusmini, Bianca; Dorta, Ladina; Houk, Robert S; Günther, Detlef

    2016-09-01

    Doubly charged diatomic ions MAr(2+) where M=Mg, Ca, Sr or Ba have been observed by mass spectrometry with an inductively coupled plasma ion source. Abundance ratios are quite high, 0.1 % for MgAr(2+) , 0.4 % for CaAr(2+) , 0.2 % for SrAr(2+) and 0.1 % for BaAr(2+) relative to the corresponding doubly charged atomic ions M(2+) . It is assumed that these molecular ions are formed through reactions of the doubly charged metal ions with neutral argon atoms within the ion source. Bond dissociation energies (D0 ) were calculated and agree well with previously published values. The abundance ratios MAr(+) /M(+) and MAr(2+) /M(2+) generally follow the predicted bond dissociation energies with the exception of MgAr(2+) . Mg(2+) should form the strongest bond with Ar [D0 (MgAr(2+) )=124 to 130 kJ mol(-1) ] but its relative abundance is similar to that of the weakest bound BaAr(2+) (D0 =34 to 42 kJ mol(-1) ). The relative abundances of the various MAr(2+) ions are higher than those expected from an argon plasma at T=6000 K, indicating that collisions during ion extraction reduce the abundance of the MAr(2+) ions relative to the composition in the source. The corresponding singly charged MAr(+) ions are also observed but occur at about three orders of magnitude lower intensity than MAr(2+) . PMID:27252087

  9. Hyperpolarizabilities of alkaline-earth metal ions Be+, Mg+, and Ca+

    Science.gov (United States)

    Yin, Dong; Zhang, Yong-Hui; Li, Cheng-Bin; Gao, Ke-Lin; Shi, Ting-Yun

    2016-09-01

    The knowledge of the hyperpolarizabilities of atoms and ions is helpful for the analysis of the high order effects of the frequency shifts in precision spectroscopy experiments. Liu et al. [Phys. Rev. Lett. 114, 223001 (2015)] proposed to establish all-optical trapped ion clocks using laser at the magic wavelength for clock transition. To evaluate the high-order frequency shifts in this new scheme of optical clocks, hyperpolarizabilities are needed, but absent. Using the finite field method based on the B-spline basis set and model potentials, we calculated the electric-field-dependent energy shifts of the ground and low-lying excited states in Be+, Mg+, and Ca+ in the field strength range of 0.0-6×10-5 a.u.. The scalar and tensor polarizabilities ( α 0, α 2) and hyperpolarizabilities ( γ 0, γ 2, γ 4) were deduced. The results of the hyperpolarizabilities for Be+ showed good agreement with the values in literature, implying that the present method can be applied for the effective estimation of the atomic hyperpolarizabilities, which are rarely reported but needed in experiments. The feasibility of optical trapping of Ca+ is discussed, and the contributions of hyperpolarizabilities to the transition frequency shift for Ca+ in the optical dipole trap are estimated using quasi-electrostatic approximation.

  10. Chemical perspectives on alkali and earth alkaline nitrate and nitrite salts for concentrated solar power applications

    Energy Technology Data Exchange (ETDEWEB)

    Cordaro, Joseph G. [Sandia National Labsoratories, Livermore, CA (United States)

    2013-04-01

    Molten salts have been widely considered as the leading candidate heat transfer fluids (HTF) used in high temperature, concentrated solar power plants. Specifically, nitrate and nitrite based salts have been investigated as a HTF and even deployed in pilot plants generating up to 19.9 MW of electricity at operating temperatures above 500 C. New plant designs requiring higher operating temperatures for better efficiencies are pushing the stability limit of HTF. This paper presents an overview of the thermophysical properties of nitrate and nitrite salts and discusses thermodynamic and kinetic stability limitations as they relate to concentrated solar power generation. (orig.)

  11. Enzymatic Hydrolysis of Alkaline Pretreated Coconut Coir

    Directory of Open Access Journals (Sweden)

    Akbarningrum Fatmawati

    2013-06-01

    Full Text Available The purpose of this research is to study the effect of concentration and temperature on the cellulose and lignin content, and the reducing sugars produced in the enzymatic hydrolysis of coconut coir. In this research, the coconut coir is pretreated using 3%, 7%, and 11% NaOH solution at 60oC, 80oC, and 100oC. The pretreated coir were assayed by measuring the amount of cellulose and lignin and then hydrolysed using Celluclast and Novozyme 188 under various temperature (30oC, 40oC, 50oC and pH (3, 4, 5. The hydrolysis results were assayed for the reducing sugar content. The results showed that the alkaline delignification was effective to reduce lignin and to increase the cellulose content of the coir. The best delignification condition was observed at 11% NaOH solution and 100oC which removed 14,53% of lignin and increased the cellulose content up to 50,23%. The best condition of the enzymatic hydrolysis was obtained at 50oC and pH 4 which produced 7,57 gr/L reducing sugar. © 2013 BCREC UNDIP. All rights reservedReceived: 2nd October 2012; Revised: 31st January 2013; Accepted: 6th February 2013[How to Cite: Fatmawati, A., Agustriyanto, R., Liasari, Y. (2013. Enzymatic Hydrolysis of Alkaline Pre-treated Coconut Coir. Bulletin of Chemical Reaction Engineering & Catalysis, 8 (1: 34-39 (doi:10.9767/bcrec.8.1.4048.34-39[Permalink/DOI: http://dx.doi.org/10.9767/bcrec.8.1.4048.34-39] | View in  |

  12. An Overview on Metal Cations Extraction by Azocalixarenes

    Directory of Open Access Journals (Sweden)

    Hasalettin Deligöz

    2011-12-01

    Full Text Available In this overview, our main aim is to present the design, preparation, characterization, and extraction/sorption properties of chromogenic azocalix[4]arenes (substituted with different groups toward metal cations. Azocalixarenes, which contain a conjugated chromophore, i.e. azo (-N=N- group are synthesized in “one-pot” procedures in satisfactory yields. A wide variety of applications is expected by the functionalization of the side arms. Some of them are used to complex with metal ions. These macrocycles due to their bowl-shaped geometry are indeed used as hosts allowing ionic or organic guests to coordinate onto their cavity. The azocalixarene based ionophores are generally applied in various fields such as catalyst recovery, power plant, agriculture, metals finishing, microelectonics, biotechnology processes, rare earths speciation, and potable water purification. Besides these, they find applications in the area of selective ion extractions, receptors, optical devices, chemical sensor devices, the stationary phase for capillary chromatography, ion transport membranes, and luminescence probes etc. This survey is focused to provide overview an of the versatile nature of azocalix[n]arenes as highly efficient extractants for metal ions treated as pollutants.

  13. Nucleotide and amino acid sequences of human intestinal alkaline phosphatase: close homology to placental alkaline phosphatase

    International Nuclear Information System (INIS)

    A cDNA clone for human adult intestinal alkaline phosphatase (ALP) [orthophosphoric-monoester phosphohydrolase (alkaline optimum); EC 3.1.3.1] was isolated from a λgt11 expression library. The cDNA insert of this clone is 2513 base pairs in length and contains an open reading frame that encodes a 528-amino acid polypeptide. This deduced polypeptide contains the first 40 amino acids of human intestinal ALP, as determined by direct protein sequencing. Intestinal ALP shows 86.5% amino acid identity to placental (type 1) ALP and 56.6% amino acid identity to liver/bone/kidney ALP. In the 3'-untranslated regions, intestinal and placental ALP cDNAs are 73.5% identical (excluding gaps). The evolution of this multigene enzyme family is discussed

  14. Space-time variability of alkalinity in the Mediterranean Sea

    Directory of Open Access Journals (Sweden)

    G. Cossarini

    2014-09-01

    Full Text Available The paper provides a basin assessment of the spatial distribution of ocean alkalinity in the Mediterranean Sea. The assessment is made using a 3-D transport-biogeochemical-carbonate model to integrate the available experimental findings, which also constrains model output. The results indicate that the Mediterranean Sea shows alkalinity values that are much higher than those observed in the Atlantic Ocean on a basin-wide scale. A marked west-to-east surface gradient of alkalinity is reproduced as a response to the terrestrial discharges, the mixing effect with the Atlantic water entering from the Gibraltar Strait and the Black Sea water from Dardanelles, and the surface flux of evaporation minus precipitation. Dense water production in marginal seas (Adriatic and Aegean Seas, where alkaline inputs are relevant, and the Mediterranean thermohaline circulation sustains the west-to-east gradient along the entire water column. In the surface layers, alkalinity has a relevant seasonal cycle (up to 40 μmol kg−1 that is driven both by physical and biological processes. A comparison of alkalinity vs. salinity indicates that different regions present different relationships. In regions of freshwater influence, the two measures are negatively correlated due to riverine alkalinity input, whereas they are positively correlated in open seas. Alkalinity always is much higher than in the Atlantic waters, which might indicate a higher than usual buffering capacity towards ocean acidification, even at high concentrations of dissolved inorganic carbon.

  15. Increased river alkalinization in the Eastern U.S.

    Science.gov (United States)

    Kaushal, Sujay S; Likens, Gene E; Utz, Ryan M; Pace, Michael L; Grese, Melissa; Yepsen, Metthea

    2013-09-17

    The interaction between human activities and watershed geology is accelerating long-term changes in the carbon cycle of rivers. We evaluated changes in bicarbonate alkalinity, a product of chemical weathering, and tested for long-term trends at 97 sites in the eastern United States draining over 260,000 km(2). We observed statistically significant increasing trends in alkalinity at 62 of the 97 sites, while remaining sites exhibited no significant decreasing trends. Over 50% of study sites also had statistically significant increasing trends in concentrations of calcium (another product of chemical weathering) where data were available. River alkalinization rates were significantly related to watershed carbonate lithology, acid deposition, and topography. These three variables explained ~40% of variation in river alkalinization rates. The strongest predictor of river alkalinization rates was carbonate lithology. The most rapid rates of river alkalinization occurred at sites with highest inputs of acid deposition and highest elevation. The rise of alkalinity in many rivers throughout the Eastern U.S. suggests human-accelerated chemical weathering, in addition to previously documented impacts of mining and land use. Increased river alkalinization has major environmental implications including impacts on water hardness and salinization of drinking water, alterations of air-water exchange of CO2, coastal ocean acidification, and the influence of bicarbonate availability on primary production.

  16. Digital Earth – A sustainable Earth

    International Nuclear Information System (INIS)

    All life, particularly human, cannot be sustainable, unless complimented with shelter, poverty reduction, provision of basic infrastructure and services, equal opportunities and social justice. Yet, in the context of cities, it is believed that they can accommodate more and more people, endlessly, regardless to their carrying capacity and increasing ecological footprint. The 'inclusion', for bringing more and more people in the purview of development is often limited to social and economic inclusion rather than spatial and ecological inclusion. Economic investment decisions are also not always supported with spatial planning decisions. Most planning for a sustainable Earth, be at a level of rural settlement, city, region, national or Global, fail on the capacity and capability fronts. In India, for example, out of some 8,000 towns and cities, Master Plans exist for only about 1,800. A chapter on sustainability or environment is neither statutorily compulsory nor a norm for these Master Plans. Geospatial technologies including Remote Sensing, GIS, Indian National Spatial Data Infrastructure (NSDI), Indian National Urban Information Systems (NUIS), Indian Environmental Information System (ENVIS), and Indian National GIS (NGIS), etc. have potential to map, analyse, visualize and take sustainable developmental decisions based on participatory social, economic and social inclusion. Sustainable Earth, at all scales, is a logical and natural outcome of a digitally mapped, conceived and planned Earth. Digital Earth, in fact, itself offers a platform to dovetail the ecological, social and economic considerations in transforming it into a sustainable Earth

  17. [Oat growth and cation absorption characteristics under salt and alkali stress].

    Science.gov (United States)

    Fan, Yuan; Ren, Chang-Zhong; Li, Pin-Fang; Ren, Tu-Sheng

    2011-11-01

    This paper monitored the oat growth and cation absorption characteristics on a saline-alkali soil in the Baicheng region of Jilin Province under low, medium, and high levels of salt stress. No significant differences were observed in the shoot growth and yield components under the three levels of salt stress, but the root biomass and root/shoot ratio decreased significantly with increasing salt stress level. At maturing stage, the root/shoot ratio under medium and high salt stresses was 77.2% and 64.5% of that under low salt stress, respectively. Under the three levels of salt stress, the K+/Na+ and Ca2+/Na+ ratios in oat plant had significant differences at trefoil stage, but no significant differences at heading stage. With the increase of salt stress level, the cation absorption selectivity coefficient of oat at filling stage decreased significantly, but the transportation selectivity coefficient had no significant difference under the three levels of stress. It was concluded that oat could adapt to the salt and alkali stress of soda-alkaline soil to some extent, and the adaptation capability decreased with the increasing level of stress. The decrease of oat root biomass and the stronger ion selective absorption capacity at heading stage under salt and alkali stress could benefit the shoot growth and yield components of oat. PMID:22303664

  18. Inward Cationic Diffusion and Formation of Silica-Rich Surface Nanolayer of Glass

    DEFF Research Database (Denmark)

    Smedskjær, Morten Mattrup; Deubener, Joachim; Yue, Yuanzheng

    2009-01-01

    This paper reports a chemical approach for obtaining a silica-rich nanolayer on the surface of a vanadium-bearing silicate glass. The approach involves depletion of earth alkaline ions (Mg2+ and Ca2+) from the glass surface by means of inward diffusion of those ions, i.e., diffusion from the surf......This paper reports a chemical approach for obtaining a silica-rich nanolayer on the surface of a vanadium-bearing silicate glass. The approach involves depletion of earth alkaline ions (Mg2+ and Ca2+) from the glass surface by means of inward diffusion of those ions, i.e., diffusion from...... form and are incorporated into the glass structure. Both the V4+ and the hydroxyl contents increase with increasing ta and hydrogen partial pressure. The inward diffusion enhances the hardness of the glass surface. The mechanism of the inward diffusion is suggested on the basis of a model describing...... the outward diffusion. The new approach provides a possibility to create a silica-rich nanolayer on glass surfaces by means of the inward diffusion process....

  19. Phosphatidylinositol anchor of HeLa cell alkaline phosphatase

    International Nuclear Information System (INIS)

    Alkaline phosphatase from cancer cells, HeLa TCRC-1, was biosynthetically labeled with either 3H-fatty acids or [3H]ethanolamine as analyzed by sodium dodecyl sulfate-polyacrylamide gel electrophoresis and fluorography of immunoprecipitated material. Phosphatidylinositol-specific phospholipase C (PI-PLC) released a substantial proportion of the 3H-fatty acid label from immunoaffinity-purified alkaline phosphatase but had no effect on the radioactivity of [3H]ethanolamine-labeled material. PI-PLC also liberated catalytically active alkaline phosphatase from viable cells, and this could be selectively blocked by monoclonal antibodies to alkaline phosphatase. However, the alkaline phosphatase released from 3H-fatty acid labeled cells by PI-PLC was not radioactive. By contrast, treatment with bromelain removed both the 3H-fatty acid and the [3H]ethanolamine label from purified alkaline phosphatase. Subtilisin was also able to remove the [3H]ethanolamine label from the purified alkaline phosphatase. The 3H radioactivity in alkaline phosphatase purified from [3H]ethanolamine-labeled cells comigrated with authentic [3H]ethanolamine by anion-exchange chromatography after acid hydrolysis. The data suggest that the 3H-fatty acid and [3H]ethanolamine are covalently attached to the carboxyl-terminal segment since bromelain and subtilisin both release alkaline phosphatase from the membrane by cleavage at that end of the polypeptide chain. The data are consistent with findings for other proteins recently shown to be anchored in the membrane through a glycosylphosphatidylinositol structure and indicate that a similar structure contributes to the membrane anchoring of alkaline phosphatase

  20. Phosphatidylinositol anchor of HeLa cell alkaline phosphatase

    Energy Technology Data Exchange (ETDEWEB)

    Jemmerson, R.; Low, M.G.

    1987-09-08

    Alkaline phosphatase from cancer cells, HeLa TCRC-1, was biosynthetically labeled with either /sup 3/H-fatty acids or (/sup 3/H)ethanolamine as analyzed by sodium dodecyl sulfate-polyacrylamide gel electrophoresis and fluorography of immunoprecipitated material. Phosphatidylinositol-specific phospholipase C (PI-PLC) released a substantial proportion of the /sup 3/H-fatty acid label from immunoaffinity-purified alkaline phosphatase but had no effect on the radioactivity of (/sup 3/H)ethanolamine-labeled material. PI-PLC also liberated catalytically active alkaline phosphatase from viable cells, and this could be selectively blocked by monoclonal antibodies to alkaline phosphatase. However, the alkaline phosphatase released from /sup 3/H-fatty acid labeled cells by PI-PLC was not radioactive. By contrast, treatment with bromelain removed both the /sup 3/H-fatty acid and the (/sup 3/H)ethanolamine label from purified alkaline phosphatase. Subtilisin was also able to remove the (/sup 3/H)ethanolamine label from the purified alkaline phosphatase. The /sup 3/H radioactivity in alkaline phosphatase purified from (/sup 3/H)ethanolamine-labeled cells comigrated with authentic (/sup 3/H)ethanolamine by anion-exchange chromatography after acid hydrolysis. The data suggest that the /sup 3/H-fatty acid and (/sup 3/H)ethanolamine are covalently attached to the carboxyl-terminal segment since bromelain and subtilisin both release alkaline phosphatase from the membrane by cleavage at that end of the polypeptide chain. The data are consistent with findings for other proteins recently shown to be anchored in the membrane through a glycosylphosphatidylinositol structure and indicate that a similar structure contributes to the membrane anchoring of alkaline phosphatase.