WorldWideScience

Sample records for alkali metal concentrations

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

    International Nuclear Information System (INIS)

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

    2015-01-01

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

  2. Plasma assisted measurements of alkali metal concentrations in pressurized combustion processes

    International Nuclear Information System (INIS)

    Hernberg, R.; Haeyrinen, V.

    1995-01-01

    The plasma assisted method for continuous measurement of alkali metal concentrations in product gas flows of pressurized energy processes will be tested and applied at the 1.6 MW PFBC/G facility at Delft University of Technology in the Netherlands. Measurements will be performed during 1995 and 1996 at different stages of the research programme. The results are expected to give information about the influence of different process conditions on the generation of alkali metal vapours, the comparison of different methods for alkali measurement and the specific performance of our system. The project belongs to the Joule II extension program under contract JOU2-CT93-0431. (author)

  3. Purification of alkali metal nitrates

    Science.gov (United States)

    Fiorucci, Louis C.; Gregory, Kevin M.

    1985-05-14

    A process is disclosed for removing heavy metal contaminants from impure alkali metal nitrates containing them. The process comprises mixing the impure nitrates with sufficient water to form a concentrated aqueous solution of the impure nitrates, adjusting the pH of the resulting solution to within the range of between about 2 and about 7, adding sufficient reducing agent to react with heavy metal contaminants within said solution, adjusting the pH of the solution containing reducing agent to effect precipitation of heavy metal impurities and separating the solid impurities from the resulting purified aqueous solution of alkali metal nitrates. The resulting purified solution of alkali metal nitrates may be heated to evaporate water therefrom to produce purified molten alkali metal nitrate suitable for use as a heat transfer medium. If desired, the purified molten form may be granulated and cooled to form discrete solid particles of alkali metal nitrates.

  4. Process for the disposal of alkali metals

    International Nuclear Information System (INIS)

    Lewis, L.C.

    1979-01-01

    The invention describes a method of disposing of alkali metals by forming a solid waste for storage. The method comprises preparing an aqueous disposal solution of at least 55 weight percent alkali metal hydroxide, heating the alkali metal to melting temperature to form a feed solution, and spraying the molten feed solution into the disposal solution. The alkali metal reacts with the water in the disposal solution in a controlled reaction which produces alkali metal hydroxide, hydrogen and heat and thereby forms a solution of alkali metal hydroxides. Water is added to the solution in amounts sufficient to maintain the concentration of alkali metal hydroxides in the solution at 70 to 90 weight percent, and to maintain the temperature of the solution at about the boiling point. Removing and cooling the alkali metal hydroxide solution thereby forms a solid waste for storage. The method is particularly applicable to radioactive alkali metal reactor coolant. (auth)

  5. Alkali metal hydride formation

    International Nuclear Information System (INIS)

    1976-01-01

    The present invention relates to a method of producing alkali metal hydrides by absorbing hydrogen gas under pressure into a mixture of lower alkyl mono amines and alkali metal alkyl amides selected from sodium and potassium amides formed from said amines. The present invention also includes purification of a mixture of the amines and amides which contain impurities, such as is used as a catalytic exchange liquid in the enrichment of deuterium, involving the formation of the alkali metal hydride

  6. [On-line analysis and mass concentration characters of the alkali metal ions of PM10 in Beijing].

    Science.gov (United States)

    Zhang, Kai; Wang, Yue-Si; Wen, Tian-Xue; Liu, Guang-Ren; Hu, Bo; Zhao, Ya-Nan

    2008-01-01

    The mass concentration characters and the sources of water-soluble alkali metal ions in PM10 in 2004 and 2005 in Beijing were analyzed by using the system of rapid collection of particles. The result showed that the average concentration of Na+, K+, Mg2+ and Ca2+ was 0.5-1.4, 0.5-2.5, 0.1-0.5 and 0.6-5.8 microg/m3, respectively. The highest and lowest concentration appeared in different seasons for the alkali metal ions, which was related to the quality and source. The concentration of alkali metal ions was no difference between the heating period and no heating period, which meant the heating was not the main source. Sea salt and soil were the important sources of Na+. The source of K+ came from biomass burning and vegetation. Soil was the large source of Mg2+ and Ca2+. The alkali metal ions appeared different daily variation in different seasons. Precipitation could decrease the concentration of Na+, K+, Mg2+ and Ca2+, which was 10%-70%, 20%-80%, 10%-77%, 5%-80% respectively.

  7. Methods of recovering alkali metals

    Science.gov (United States)

    Krumhansl, James L; Rigali, Mark J

    2014-03-04

    Approaches for alkali metal extraction, sequestration and recovery are described. For example, a method of recovering alkali metals includes providing a CST or CST-like (e.g., small pore zeolite) material. The alkali metal species is scavenged from the liquid mixture by the CST or CST-like material. The alkali metal species is extracted from the CST or CST-like material.

  8. Alkali metal ion battery with bimetallic electrode

    Science.gov (United States)

    Boysen, Dane A; Bradwell, David J; Jiang, Kai; Kim, Hojong; Ortiz, Luis A; Sadoway, Donald R; Tomaszowska, Alina A; Wei, Weifeng; Wang, Kangli

    2015-04-07

    Electrochemical cells having molten electrodes having an alkali metal provide receipt and delivery of power by transporting atoms of the alkali metal between electrode environments of disparate chemical potentials through an electrochemical pathway comprising a salt of the alkali metal. The chemical potential of the alkali metal is decreased when combined with one or more non-alkali metals, thus producing a voltage between an electrode comprising the molten the alkali metal and the electrode comprising the combined alkali/non-alkali metals.

  9. Process for the disposal of alkali metals

    International Nuclear Information System (INIS)

    Lewis, L.C.

    1977-01-01

    Large quantities of alkali metals may be safely reacted for ultimate disposal by contact with a hot concentrated caustic solution. The alkali metals react with water in the caustic solution in a controlled reaction while steam dilutes the hydrogen formed by the reaction to a safe level. 6 claims

  10. Plasma assisted measurements of alkali metal concentrations in pressurized combustion processes

    Energy Technology Data Exchange (ETDEWEB)

    Hernberg, R.; Haeyrinen, V. [Tampere Univ. of Technology (Finland). Dept. of Physics

    1996-12-01

    The plasma assisted method for continuous measurement of alkali concentrations in product gas flows of pressurized energy processes will be tested and applied at the 1.6 MW PFBC/G facility at Delft University of Technology in the Netherlands. During the reporting period the alkali measuring device has been tested under pressurized conditions at VTT Energy, DMT, Foster-Wheeler Energia and ABB Carbon. Measurements in Delft will be performed during 1996 after installation of the hot gas filter. The original plan for measurements in Delft has been postponed due to schedule delays in Delft. The results are expected to give information about the influence of different process conditions on the generation of alkali vapours, the comparison of different methods for alkali measurement and the specific performance of our system. This will be the first test of the plasma assisted measurement method in a gasification process. The project belongs to the Joule II extension program under contract JOU2-CT93-0431. (author)

  11. Alkali metal hafnium oxide scintillators

    Science.gov (United States)

    Bourret-Courchesne, Edith; Derenzo, Stephen E.; Taylor, Scott Edward

    2018-05-08

    The present invention provides for a composition comprising an inorganic scintillator comprising an alkali metal hafnate, optionally cerium-doped, having the formula A2HfO3:Ce; wherein A is an alkali metal having a valence of 1, such as Li or Na; and the molar percent of cerium is 0% to 100%. The alkali metal hafnate are scintillators and produce a bright luminescence upon irradiation by a suitable radiation.

  12. Upgrading platform using alkali metals

    Science.gov (United States)

    Gordon, John Howard

    2014-09-09

    A process for removing sulfur, nitrogen or metals from an oil feedstock (such as heavy oil, bitumen, shale oil, etc.) The method involves reacting the oil feedstock with an alkali metal and a radical capping substance. The alkali metal reacts with the metal, sulfur or nitrogen content to form one or more inorganic products and the radical capping substance reacts with the carbon and hydrogen content to form a hydrocarbon phase. The inorganic products may then be separated out from the hydrocarbon phase.

  13. Alkali metal and alkali earth metal gadolinium halide scintillators

    Science.gov (United States)

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

    2016-08-02

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

  14. Plasma assisted measurements of alkali metal concentrations in pressurised combustion processes

    Energy Technology Data Exchange (ETDEWEB)

    Hernberg, R; Haeyrinen, V [Tampere Univ. of Technology (Finland)

    1997-10-01

    In this project the continuous alkali measurement method plasma excited alkali resonance line spectroscopy (PEARLS) was developed, tested and demonstrated in pressurised combustion facilities. The PEARLS method has been developed at Tampere University of Technology (TUT). During 1994-1996 the PEARLS method was developed from the laboratory level to an industrial prototype. The alkali measuring instrument has been tested and used for regular measurements in four different pressurised combustion installations ranging up to industrial pilot scale. The installations are: (1) a pressurised entrained flow reactor (PEFR) at VTT Energy in Jyvaeskylae, Finland (2) a pressurised fluidised bed combustion facility, called FRED, at DMT in Essen, Germany. (3) a 10 MW pressurised circulating fluidised bed combustion pilot plant at Foster Wheeler Energia Oy in Karhula, Finland (4) PFBC Research Facility at ABB Carbon in Finspaang, Sweden

  15. Alkali metals in fungi of forest soil

    International Nuclear Information System (INIS)

    Vinichuk, M.; Taylor, A.; Rosen, K.; Nikolova, I.; Johanson, K.J.

    2009-01-01

    The high affinity of forest soil fungi for alkali metals such as potassium, rubidium, caesium as well as radiocaesium is shown and discussed. Good positive correlation was found between K: Rb concentration ratios in soil and in fungi, when correlation between K: Cs concentration ratios was less pronounced. (LN)

  16. Alkali metals and group IIA metals

    International Nuclear Information System (INIS)

    Fenton, D.E.

    1987-01-01

    This chapter on the coordination complexes of the alkali metals of group IIA starts with a historical perspective of their chemistry, from simple monodentate ligands, metal-β-diketonates to the macrocyclic polyethers which act as ligands to the alkali and akaline earth metals. Other macrocyclic ligands include quarterenes, calixarenes, porphyrins, phthalocyanines and chlorophylls. A section on the naturally occurring ionophores and carboxylic ionophores is included. (UK)

  17. Method of making alkali metal hydrides

    Science.gov (United States)

    Pecharsky, Vitalij K.; Gupta, Shalabh; Pruski, Marek; Hlova, Ihor; Castle, Andra

    2017-05-30

    A method is provided for making alkali metal hydrides by mechanochemically reacting alkali metal and hydrogen gas under mild temperature (e.g room temperature) and hydrogen pressure conditions without the need for catalyst, solvent, and intentional heating or cooling.

  18. Alkali metal and alkali metal hydroxide intercalates of the layered transition metal disulfides

    International Nuclear Information System (INIS)

    Kanzaki, Y.; Konuma, M.; Matsumoto, O.

    1981-01-01

    The intercalation reaction of some layered transition metal disulfides with alkali metals, alkali metal hydroxides, and tetraalkylammonium hydroxides were investigated. The alkali metal intercalates were prepared in the respective metal-hexamethylphosphoric triamide solutions in vaccuo, and the hydroxide intercalates in aqueous hydroxide solutions. According to the intercalation reaction, the c-lattice parameter was increased, and the increase indicated the expansion of the interlayer distance. In the case of alkali metal intercalates, the expansion of the interlayer distance increased continuously, corresponding to the atomic radius of the alkali metal. On the other hand, the hydroxide intercalates showed discrete expansion corresponding to the effective ionic radius of the intercalated cation. All intercalates of TaS 2 amd NbS 2 were superconductors. The expansion of the interlayer distance tended to increase the superconducting transition temperature in the intercalates of TaS 2 and vice versa in those of NbS 2 . (orig.)

  19. The chemistry of the liquid alkali metals

    International Nuclear Information System (INIS)

    Addison, C.C.

    1984-01-01

    A study of liquid alkali metals. It encourages comparison with molecular solvents in chapter covering the nature and reactivity of dissolved species, solvation, solubility and electrical conductivity of solutions. It demonstrates lab techniques unique to liquid alkali metals. It discusses large-scale applications from storage batteries to sodium-cooled reactors and future fusion reactors, and associated technological problems. Contents: Some Basic Physical and Chemical Properties; Manipulation of the Liquids; The Chemistry of Purification Methods; Species Formed by Dissolved Elements; Solubilities and Analytical Methods; Alkali Metal Mixtures; Solvation in Liquid Metal; Reactions Between Liquid Alkali Metals and Water; Reactions of Nitrogen with Lithium and the Group II Metals in Liquid Sodium; The Formation, Dissociation and Stability of Heteronuclear Polyatomic Anions; Reactions of the Liquid Alkali Metals and Their Alloys with Simple Alipatic Hydrocarbons; Reactions of the Liquid Alkali Metals with Some Halogen Compounds; Hydrogen, Oxygen and Carbon Meters; Surface Chemistry and Wetting; Corrosion of Transition Metals by the Liquid Alkali Metals; Modern Applications of the Liquid Alkali Metals

  20. Method of handling radioactive alkali metal waste

    Science.gov (United States)

    Wolson, R.D.; McPheeters, C.C.

    Radioactive alkali metal is mixed with particulate silica in a rotary drum reactor in which the alkali metal is converted to the monoxide during rotation of the reactor to produce particulate silica coated with the alkali metal monoxide suitable as a feed material to make a glass for storing radioactive material. Silica particles, the majority of which pass through a 95 mesh screen or preferably through a 200 mesh screen, are employed in this process, and the preferred weight ratio of silica to alkali metal is 7 to 1 in order to produce a feed material for the final glass product having a silica to alkali metal monoxide ratio of about 5 to 1.

  1. Method of handling radioactive alkali metal waste

    International Nuclear Information System (INIS)

    Mcpheeters, C.C.; Wolson, R.D.

    1980-01-01

    Radioactive alkali metal is mixed with particulate silica in a rotary drum reactor in which the alkali metal is converted to the monoxide during rotation of the reactor to produce particulate silica coated with the alkali metal monoxide suitable as a feed material to make a glass for storing radioactive material. Silica particles, the majority of which pass through a 95 mesh screen or preferably through a 200 mesh screen, are employed in this process, and the preferred weight ratio of silica to alkali metal is 7 to 1 in order to produce a feed material for the final glass product having a silica to alkali metal monoxide ratio of about 5 to 1

  2. Process to separate alkali metal salts from alkali metal reacted hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Gordon, John Howard; Alvare, Javier; Larsen, Dennis; Killpack, Jeff

    2017-06-27

    A process to facilitate gravimetric separation of alkali metal salts, such as alkali metal sulfides and polysulfides, from alkali metal reacted hydrocarbons. The disclosed process is part of a method of upgrading a hydrocarbon feedstock by removing heteroatoms and/or one or more heavy metals from the hydrocarbon feedstock composition. This method reacts the oil feedstock with an alkali metal and an upgradant hydrocarbon. The alkali metal reacts with a portion of the heteroatoms and/or one or more heavy metals to form an inorganic phase containing alkali metal salts and reduced heavy metals, and an upgraded hydrocarbon feedstock. The inorganic phase may be gravimetrically separated from the upgraded hydrocarbon feedstock after mixing at a temperature between about 350.degree. C. to 400.degree. C. for a time period between about 15 minutes and 2 hours.

  3. Alkali metal for ultraviolet band-pass filter

    Science.gov (United States)

    Mardesich, Nick (Inventor); Fraschetti, George A. (Inventor); Mccann, Timothy A. (Inventor); Mayall, Sherwood D. (Inventor); Dunn, Donald E. (Inventor); Trauger, John T. (Inventor)

    1993-01-01

    An alkali metal filter having a layer of metallic bismuth deposited onto the alkali metal is provided. The metallic bismuth acts to stabilize the surface of the alkali metal to prevent substantial surface migration from occurring on the alkali metal, which may degrade optical characteristics of the filter. To this end, a layer of metallic bismuth is deposited by vapor deposition over the alkali metal to a depth of approximately 5 to 10 A. A complete alkali metal filter is described along with a method for fabricating the alkali metal filter.

  4. Corrosion and compatibility in liquid alkali metals

    International Nuclear Information System (INIS)

    Anon.

    1978-01-01

    The literature dealing with liquid alkali metal corrosion of vanadium and its alloys is reviewed in the following subsections. Attention is given to both lithium and sodium data. Preceding this review, a brief outline of the current state of understanding of liquid metal corrosion mechanisms is provided

  5. A procedure for preparing alkali metal hydrides

    International Nuclear Information System (INIS)

    Lemieux, R.U.; Sanford, C.E.; Prescott, J.F.

    1976-01-01

    A plain low cost, procedure for the continuous, low temperature preparation of sodium or potassium hydrides using cheap reagents is presented. Said invention is especially concerned with a process of purifying of a catalytic exchange liquid used for deuterium enrichment, in which an alkali metal hydride is produced as intermediate product. The procedure for producing the sodium and potassium hydrides consists in causing high pressure hydrogen to be absorbed by a mixture of at least a lower monoalkylamine and an alkylamide of an alkali metal from at least one of said amines [fr

  6. Salts of alkali metal anions and process of preparing same

    Science.gov (United States)

    Dye, James L.; Ceraso, Joseph M.; Tehan, Frederick J.; Lok, Mei Tak

    1978-01-01

    Compounds of alkali metal anion salts of alkali metal cations in bicyclic polyoxadiamines are disclosed. The salts are prepared by contacting an excess of alkali metal with an alkali metal dissolving solution consisting of a bicyclic polyoxadiamine in a suitable solvent, and recovered by precipitation. The salts have a gold-color crystalline appearance and are stable in a vacuum at -10.degree. C. and below.

  7. Liquid alkali metals and alkali-based alloys as electron-ion plasmas

    International Nuclear Information System (INIS)

    Tosi, M.P.

    1981-06-01

    The article reviews the theory of thermodynamic and structural properties of liquid alkali metals and alkali-based alloys, within the framework of linear screening theory for the electron-ion interactions. (author)

  8. 40 CFR 721.4740 - Alkali metal nitrites.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Alkali metal nitrites. 721.4740... Substances § 721.4740 Alkali metal nitrites. (a) Chemical substances and significant new use subject to reporting. (1) The category of chemical substances which are nitrites of the alkali metals (Group IA in the...

  9. 40 CFR 721.1878 - Alkali metal alkyl borohydride (generic).

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Alkali metal alkyl borohydride... Specific Chemical Substances § 721.1878 Alkali metal alkyl borohydride (generic). (a) Chemical substance... alkali metal alkyl borohydride (PMN P-00-1089) is subject to reporting under this section for the...

  10. Thermal investigation of alkali metal hexacyanoruthenate (2)

    International Nuclear Information System (INIS)

    Okorskaya, A.P.; Sergeeva, A.N.; Pavlenko, L.I.; Semenishin, D.I.

    1978-01-01

    Thermal stability of Li, Na, K, Rb and Cs hexacyanoruthenates has been investigated. It has been established, that thermal decomposition of complexes depends upon outer spherical cations; complex compound stability decreasing with the rize of cation ionization potential. According to their thermal stability, alkali metal hexacyanoruthenates can be placed in the following row: Li < Na < K < Rb < Cs. Decomposition of Na, Rb and Cs complexes is accompanied by formation of thermally stable cyanides of these metals

  11. Properties of solvated electrons, alkali anions and other species in metal solutions and kinetics of cation and electron exchange reactions. Final report

    International Nuclear Information System (INIS)

    Dye, J.L.

    1979-01-01

    The properties of solutions of alkali metals in amine solvents were studied by optical, ETR, NMR and electrochemical methods. Complexation of the alkali cations by crown ethers and cryptands permitted the preparation of concentrated solutions of alkali metals in amine and ether solvents. Extensive alkali metal NMR studies of the exchange of M + with crown-ethers and cryptands and of the alkali metal anion, M - , were made. The first crystalline salt of an alkali metal anion, Na + Cryptand [2.2.2]Na - was synthesized and characterized and led to the preparation of other alkali metal anion salts. This research provided the foundation for continuing studies of crystalline alkalide salts

  12. Complexes in polyvalent metal - Alkali halide melts

    International Nuclear Information System (INIS)

    Akdeniz, Z.; Tosi, M.P.

    1991-03-01

    Experimental evidence is available in the literature on the local coordination of divalent and trivalent metal ions by halogens in some 140 liquid mixtures of their halides with alkali halides. After brief reference to classification criteria for main types of local coordination, we focus on statistical mechanical models that we are developing for Al-alkali halide mixtures. Specifically, we discuss theoretically the equilibrium between (AlF 6 ) 3- and (AlF 4 ) - complexes in mixtures of AlF 3 and NaF as a function of composition in the NaF-rich region, the effect of the alkali counterion on this equilibrium, the possible role of (AlF 5 ) 2- as an intermediate species in molten cryolite, and the origin of the different complexing behaviours of Al-alkali fluorides and chlorides. We also present a theoretical scenario for processes of structure breaking and electron localization in molten cryolite under addition of sodium metal. (author). 26 refs, 2 tabs

  13. Alkali Metal Heat Pipe Life Issues

    International Nuclear Information System (INIS)

    Reid, Robert S.

    2004-01-01

    One approach to fission power system design uses alkali metal heat pipes for the core primary heat-transfer system. Heat pipes may also be used as radiator elements or auxiliary thermal control elements. This synopsis characterizes long-life core heat pipes. References are included where information that is more detailed can be found. Specifics shown here are for demonstration purposes and do not necessarily reflect current Nasa Project Prometheus point designs. (author)

  14. Alkali metal protective garment and composite material

    Science.gov (United States)

    Ballif, III, John L.; Yuan, Wei W.

    1980-01-01

    A protective garment and composite material providing satisfactory heat resistance and physical protection for articles and personnel exposed to hot molten alkali metals, such as sodium. Physical protection is provided by a continuous layer of nickel foil. Heat resistance is provided by an underlying backing layer of thermal insulation. Overlying outer layers of fireproof woven ceramic fibers are used to protect the foil during storage and handling.

  15. Method for the safe disposal of alkali metal

    International Nuclear Information System (INIS)

    Johnson, T.R.

    1977-01-01

    Alkali metals such as those employed in liquid metal coolant systems can be safely reacted to form hydroxides by first dissolving the alkali metal in relatively inert metals such as lead or bismuth. The alloy thus formed is contacted with a molten salt including the alkali metal hydroxide and possibly the alkali metal carbonate in the presence of oxygen. This oxidizes the alkali metal to an oxide which is soluble within the molten salt. The salt is separated and contacted with steam or steam--CO 2 mixture to convert the alkali metal oxide to the hydroxide. These reactions can be conducted with minimal hydrogen evolution and with the heat of reaction distributed between the several reaction steps. 5 claims, 1 figure

  16. The solvent extraction of alkali metal ions with β-diketones

    International Nuclear Information System (INIS)

    Munakata, Megumu; Niina, Syozo; Shimoji, Noboru

    1974-01-01

    This work was undertaken to investigate effects of solvent and chelating-agent on the solvent extraction of alkali metal ions by seven β-diketones, acetylacetone (Acac), benzoylacetone (BzA), dipivaloylmethane (DPM), dibenzoylmethane (DBM), thenoyltrifluoloacetone (TTA), benzoyltrifluoroacetone (BFA) and hexafluoroacetylacetone (HFA), and to separate lithium from alkali metals. The extraction of alkali metals increase with increasing donor power of the solvent: i.e., benzene Na>K>Rb>Cs, which is also the order in which the adduct formation of these β-diketone chelates with donor solvents increase. The adduct formations between β-diketone chelates of alkali metals and donor solvents markedly enhance the solubilities of the chelates in solvents and, consequently, the extractabilities of alkali metals with β-diketones. Lithium was extracted with TTA in ether at such a low base concentration that sodium, potassium, rubidium and cesium were hardly extracted, and this enabled to separate lithium from other metals by the use of rubidium hydroxide (0.02 M). An attempt has been made to isolate alkali metal β-diketone chelates and some chelates have been obtained as crystals. The infrared absorption bands arising from C=O and C.=C of TTA shift to lower frequencies in the alkali metal chelates with TTA, and consequently, β-diketones is suggested to coordinate to alkali metal as a bidentate ligand. (JPN)

  17. Metal induced gap states at alkali halide/metal interface

    International Nuclear Information System (INIS)

    Kiguchi, Manabu; Yoshikawa, Genki; Ikeda, Susumu; Saiki, Koichiro

    2004-01-01

    The electronic state of a KCl/Cu(0 0 1) interface was investigated using the Cl K-edge near-edge X-ray absorption fine structure (NEXAFS). A pre-peak observed on the bulk edge onset of thin KCl films has a similar feature to the peak at a LiCl/Cu(0 0 1) interface, which originates from the metal induced gap state (MIGS). The present result indicates that the MIGS is formed universally at alkali halide/metal interfaces. The decay length of MIGS to an insulator differs from each other, mainly due to the difference in the band gap energy of alkali halide

  18. Alkali and heavy metals emissions of the PCFB-process

    International Nuclear Information System (INIS)

    Kuivalainen, R.; Eriksson, T.; Koskinen, J.; Lehtonen, P.

    1995-01-01

    Pressurized Circulating Fluidized Bed (PCFB) combustion technology has been developed by A. Ahlstrom Corporation since 1986. As a part of the development, a 10 MV PCFB Test Facility was constructed at Hans Ahlstrom Laboratory in Karhula, Finland in 1989. The Test Facility has been used for performance testing with different coal types through the years 1990-1994 for obtaining data for design and commercialization of the high-efficiency low-emission PCFB combustion technology. The project Y44 'Alkali and heavy metal emissions of the PCFB-process' is part of national LIEKKI 2 research program and it continues the work started under alkali measurement project Y33 in 1994. The objective of the project is to measure vapor phase alkali and heavy metal concentrations in the PCFB flue gas after high-temperature high-pressure particulate filter and to investigate the effects of process conditions and sorbents on alkali release. The measured Na concentrations were between 0,03 and 0,21 ppm(w). The results of K were between 0,01 and 0,08 ppm(w). The accuracy of the results is about +-50 percent at this concentration range. The scatter of the data covers the effects of different process variables on the alkali emission. The measured emissions at 800-850 deg C are at the same order of magnitude as the guideline emission limits given by gas turbine manufacturers for flue gas at 1000-1200 deg C. The measurements and development of the analyses methods are planned to be continued during PCFB test runs in autumn 1995 in cooperation with laboratories of VTT Energy and Tampere University of Technology. (author)

  19. Density functional study of ferromagnetism in alkali metal thin films

    Indian Academy of Sciences (India)

    thickness uniform jellium model (UJM), and it is argued that within LSDA or GGA, alkali metal thin films cannot be claimed to have an FM ground state. Relevance of these results to the experiments on transition metal-doped alkali metal thin films ...

  20. Interaction of alkali metal nitrates with calcium carbonate and kyanite

    International Nuclear Information System (INIS)

    Protsyuk, A.P.; Malakhov, A.I.; Karabanov, V.P.; Lebedeva, L.P.

    1978-01-01

    Thermographic, thermodynamic and X-ray phase studies have been made into the interaction of alkali metal nitrates with calcium carbonate and kyanite. Examined among other things was the effect of water vapor and carbon dioxide on the interaction between alkali metal nitrates and kyanite. The chemical mechanism of the occurring processes has been established. The interaction with calcium carbonates results in the formation of alkali metal carbonates and calcium oxide with liberation of nitrogen oxide and oxygen. The products of the interaction with kyanite are shown to be identical with the compounds forming when alkali metal carbonates are used

  1. Coprecipitation of alkali metal ions with calcium carbonate

    International Nuclear Information System (INIS)

    Okumura, Minoru; Kitano, Yasushi

    1986-01-01

    The coprecipitation of alkali metal ions Li + , Na + , K + and Rb + with calcium carbonate has been studied experimentally and the following results have been obtained: (1) Alkali metal ions are more easily coprecipitated with aragonite than with calcite. (2) The relationship between the amounts of alkali metal ions coprecipitated with aragonite and their ionic radii shows a parabolic curve with a peak located at Na + which has approximately the same ionic radius as Ca 2+ . (3) However, the amounts of alkali metal ions coprecipitated with calcite decrease with increasing ionic radius of alkali metals. (4) Our results support the hypothesis that (a) alkali metals are in interstitial positions in the crystal structure of calcite and do not substitute for Ca 2+ in the lattice, but (b) in aragonite, alkali metals substitute for Ca 2+ in the crystal structure. (5) Magnesium ions in the parent solution increase the amounts of alkali metal ions (Li + , Na + , K + and Rb + ) coprecipitated with calcite but decrease those with aragonite. (6) Sodium-bearing aragonite decreases the incorporation of other alkali metal ions (Li + , K + and Rb + ) into the aragonite. (author)

  2. Vibrations of alkali metal overlayers on metal surfaces

    International Nuclear Information System (INIS)

    Rusina, G G; Eremeev, S V; Borisova, S D; Echenique, P M; Chulkov, E V; Benedek, G

    2008-01-01

    We review the current progress in the understanding of vibrations of alkalis adsorbed on metal surfaces. The analysis of alkali vibrations was made on the basis of available theoretical and experimental results. We also include in this discussion our recent calculations of vibrations in K/Pt(111) and Li(Na)/Cu(001) systems. The dependence of alkali adlayer localized modes on atomic mass, adsorption position and coverage as well as the dependence of vertical vibration frequency on the substrate orientation is discussed. The square root of atomic mass dependence of the vertical vibration energy has been confirmed by using computational data for alkalis on the Al(111) and Cu(001) substrates. We have confirmed that in a wide range of submonolayer coverages the stretch mode energy remains nearly constant while the energy of in-plane polarized modes increases with the increase of alkali coverage. It was shown that the spectrum of both stretch and in-plane vibrations can be very sensitive to the adsorption position of alkali atoms and substrate orientation

  3. Cathode architectures for alkali metal / oxygen batteries

    Science.gov (United States)

    Visco, Steven J; Nimon, Vitaliy; De Jonghe, Lutgard C; Volfkovich, Yury; Bograchev, Daniil

    2015-01-13

    Electrochemical energy storage devices, such as alkali metal-oxygen battery cells (e.g., non-aqueous lithium-air cells), have a cathode architecture with a porous structure and pore composition that is tailored to improve cell performance, especially as it pertains to one or more of the discharge/charge rate, cycle life, and delivered ampere-hour capacity. A porous cathode architecture having a pore volume that is derived from pores of varying radii wherein the pore size distribution is tailored as a function of the architecture thickness is one way to achieve one or more of the aforementioned cell performance improvements.

  4. 40 CFR 721.4660 - Alcohol, alkali metal salt.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Alcohol, alkali metal salt. 721.4660 Section 721.4660 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.4660 Alcohol, alkali metal sal...

  5. IRMPD Action Spectroscopy of Alkali Metal Cation-Cytosine Complexes: Effects of Alkali Metal Cation Size on Gas Phase Conformation

    NARCIS (Netherlands)

    Yang, B.; Wu, R.R.; Polfer, N.C.; Berden, G.; Oomens, J.; Rodgers, M.T.

    2013-01-01

    The gas-phase structures of alkali metal cation-cytosine complexes generated by electrospray ionization are probed via infrared multiple photon dissociation (IRMPD) action spectroscopy and theoretical calculations. IRMPD action spectra of five alkali metal cation-cytosine complexes exhibit both

  6. Existence of hexachlorocerates (4) of alkali metals

    Energy Technology Data Exchange (ETDEWEB)

    Kiselev, Yu.M.; Filatov, I.Yu.; Popov, A.I.; Goryachenkova, S.A.; Martynenko, L.I.; Spitsyn, V.I. (Moskovskij Gosudarstvennyj Univ. (USSR))

    1985-01-01

    A possibility has been studied to prepare alkali metal hexachlorocerates (4) of the composition M/sub 2/CeCl/sub 6/ (M=Li, Na, K, Rb) according to the reaction 2MX + fH/sub 2/CeCl/sub 6/'' ..-->.. 2HX + M/sub 2/CeCl/sub 6/ (X=Cl/sup -/, NO/sub 3//sup -/). Using X-ray phase analysis and low-temperature hTA it has been shown, that under experimental conditions (-65 deg C) the rubidium-cerium chlorocomplex is formed, in which Ce is present in the form of Ce(4). The complex is unstable at approximately 20 deg C and under the effect of moisture gets hydrolyzed with the formation of Ce(3) derivatives. Isomorphism of Rb and Cs hexachlorocerates (4) is established. According to the data of the low-temperature DTA, the authors failed to prepare Li, Na, K hexachlorocerates (4).

  7. Alkali metal-refractory metal biphase electrode for AMTEC

    Science.gov (United States)

    Williams, Roger M. (Inventor); Bankston, Clyde P. (Inventor); Cole, Terry (Inventor); Khanna, Satish K. (Inventor); Jeffries-Nakamura, Barbara (Inventor); Wheeler, Bob L. (Inventor)

    1989-01-01

    An electrode having increased output with slower degradation is formed of a film applied to a beta-alumina solid electrolyte (BASE). The film comprises a refractory first metal M.sup.1 such as a platinum group metal, suitably platinum or rhodium, capable of forming a liquid or a strong surface adsorption phase with sodium at the operating temperature of an alkali metal thermoelectric converter (AMTEC) and a second refractory metal insoluble in sodium or the NaM.sup.1 liquid phase such as a Group IVB, VB or VIB metal, suitably tungsten, molybdenum, tantalum or niobium. The liquid phase or surface film provides fast transport through the electrode while the insoluble refractory metal provides a structural matrix for the electrode during operation. A trilayer structure that is stable and not subject to deadhesion comprises a first, thin layer of tungsten, an intermediate co-deposited layer of tungsten-platinum and a thin surface layer of platinum.

  8. Charge transfer in gold--alkali-metal systems

    International Nuclear Information System (INIS)

    Watson, R.E.; Weinert, M.

    1994-01-01

    Based on conventional electronegativity arguments, gold--alkali-metal compounds are expected to be among the most ''ionic'' of metallic compounds. The concepts of ionicity and charge transfer are difficult to quantify. However, the changes in bonding in the 50/50 Au--alkali-metal systems between the elemental metals and the compounds are so severe that observations can readily be made concerning their character. The results, as obtained from self-consistent electronic-structure calculations, lead to the apparently odd observation that the electron density at the alkali-metal sites in the compound increases significantly and this involves high l componennts in the charge density. This increase, however, can be attributed to Au-like orbitals spatially overlapping the alkali-metal sites. In a chemical sense, it is reasonable to consider the alkali-metal transferring charge to these Au orbitals. While normally the difference in heats of formation between muffin-tin and full-potential calculations for transition-metal--transition-metal and transition-metal--main-group (e.g., Al) compounds having high site symmetry are small, for the gold--alkali-metal systems, the changes in bonding in the compounds cause differences of ∼0.5 eV/atom between the two classes of potential. Any serious estimate of the electronic structure in these systems must account for these aspherical bonding charges. The origin of the semiconducting behavior of the heavy-alkali-metal Au compounds is shown to arise from a combination of the Au-Au separations and the ionic character of the compounds; the light-alkali-metal Au compounds, with their smaller Au-Au separations, do not have a semiconducting gap. Core-level shifts and isomer shifts are also briefly discussed

  9. Controlled in-situ dissolution of an alkali metal

    Science.gov (United States)

    Jones, Jeffrey Donald; Dooley, Kirk John; Tolman, David Donald

    2012-09-11

    A method for the controllable dissolution of one or more alkali metals from a vessel containing a one or more alkali metals and/or one or more partially passivated alkali metals. The vessel preferably comprising a sodium, NaK or other alkali metal-cooled nuclear reactor that has been used. The alkali metal, preferably sodium, potassium or a combination thereof, in the vessel is exposed to a treatment liquid, preferably an acidic liquid, more preferably citric acid. Preferably, the treatment liquid is maintained in continuous motion relative to any surface of unreacted alkali metal with which the treatment liquid is in contact. The treatment liquid is preferably pumped into the vessel containing the one or more alkali metals and the resulting fluid is extracted and optionally further processed. Preferably, the resulting off-gases are processed by an off-gas treatment system and the resulting liquids are processed by a liquid disposal system. In one preferred embodiment, an inert gas is pumped into the vessel along with the treatment liquid.

  10. Metal analyses of ash derived alkalis from banana and plantain ...

    African Journals Online (AJOL)

    The objective of this work was to determine the metal content of plantain and banana peels ash derived alkali and the possibility of using it as alternate and cheap source of alkali in soap industry. This was done by ashing the peels and dissolving it in de-ionised water to achieve the corresponding hydroxides with pH above ...

  11. Recent materials compatibility studies in refractory metal-alkali metal systems for space power applications.

    Science.gov (United States)

    Harrison, R. W.; Hoffman, E. E.; Davies, R. L.

    1972-01-01

    Advanced Rankine and other proposed space power systems utilize refractory metals in contact with both single-phase and two-phase alkali metals at elevated temperatures. A number of recent compatibility experiments are described which emphasize the excellent compatibility of refractory metals with the alkali metals, lithium, sodium, and potassium, under a variety of environmental conditions. The alkali metal compatibilities of tantalum-, columbium-, molybdenum-, and tungsten-base alloys are discussed.

  12. Method for intercalating alkali metal ions into carbon electrodes

    Science.gov (United States)

    Doeff, Marca M.; Ma, Yanping; Visco, Steven J.; DeJonghe, Lutgard

    1995-01-01

    A low cost, relatively flexible, carbon electrode for use in a secondary battery is described. A method is provided for producing same, including intercalating alkali metal salts such as sodium and lithium into carbon.

  13. The 4843 Alkali Metal Storage Facility Closure Plan

    International Nuclear Information System (INIS)

    1991-06-01

    The 4843 AMSF has been used primarily to provide a centralized building to receive and store dangerous and mixed alkali metal waste, including sodium and lithium, which has been generated at the Fast Flux Test Facility and at various other Hanford Site operations that used alkali metals. Most of the dangerous and mixed alkali metal waste received consists of retired equipment from liquid sodium processes. The unit continues to store material. In general, only solid alkali metal waste that is water reactive is stored at the 4843 AMSF. The 4843 AMSF will be closed in a manner consistent with Ecology guidelines and regulations (WAC 173-303-610). The general closure procedure is detailed as follows

  14. Ternary alkali-metal and transition metal or metalloid acetylides as alkali-metal intercalation electrodes for batteries

    Science.gov (United States)

    Nemeth, Karoly; Srajer, George; Harkay, Katherine C; Terdik, Joseph Z

    2015-02-10

    Novel intercalation electrode materials including ternary acetylides of chemical formula: A.sub.nMC.sub.2 where A is alkali or alkaline-earth element; M is transition metal or metalloid element; C.sub.2 is reference to the acetylide ion; n is an integer that is 0, 1, 2, 3 or 4 when A is alkali element and 0, 1, or 2 when A is alkaline-earth element. The alkali elements are Lithium (Li), Sodium (Na), Potassium (K), Rubidium (Rb), Cesium (Cs) and Francium (Fr). The alkaline-earth elements are Berilium (Be), Magnesium (Mg), Calcium (Ca), Strontium (Sr), Barium (Ba), and Radium (Ra). M is a transition metal that is any element in groups 3 through 12 inclusive on the Periodic Table of Elements (elements 21 (Sc) to element 30 (Zn)). In another exemplary embodiment, M is a metalloid element.

  15. Thorium valency in molten alkali halides in equilibrium with metallic thorium

    International Nuclear Information System (INIS)

    Smirnov, M.V.; Kudyakov, V.Ya.

    1983-01-01

    Metallic thorium is shown to corrode in molten alkali halides even in the absence of external oxidizing agents, alkali cations acting as oxidizing agents. Its corrosion rate grows in the series of alkali chlorides from LiCl to CsCl at constant temperature. Substituting halide anions for one another exerts a smaller influence, the rate rising slightly in going from chlorides to bromides and iodides, having the same alkali cations. Thorium valency is determined coulometrically, the metal being dissolved anodically in molten alkali halides and their mixtures. In fluoride melts it is equal to 4 but in chloride, bromide and iodide ones, as a rule, it has non-integral values between 4 and 2 which diminish as the temperature is raised, as the thorium concentration is lowered, as the radii of alkali cations decrease and those of halide anions increase. The emf of cells Th/N ThHlsub(n) + (1-N) MHl/MHl/C, Hlsub(2(g)) where Hl is Cl, Br or I, M is Li, Na, K, Cs or Na + K, and N < 0.05, is measured as a function of concentration at several temperatures. Expressions are obtained for its concentration dependence. The emf grows in the series of alkali chlorides from LiCl to CsCl, other conditions being equal. (author)

  16. Two-phase alkali-metal experiments in reduced gravity

    International Nuclear Information System (INIS)

    Antoniak, Z.I.

    1986-06-01

    Future space missions envision the use of large nuclear reactors utilizing either a single or a two-phase alkali-metal working fluid. The design and analysis of such reactors require state-of-the-art computer codes that can properly treat alkali-metal flow and heat transfer in a reduced-gravity environment. A literature search of relevant experiments in reduced gravity is reported on here, and reveals a paucity of data for such correlations. The few ongoing experiments in reduced gravity are noted. General plans are put forth for the reduced-gravity experiments which will have to be performed, at NASA facilities, with benign fluids. A similar situation exists regarding two-phase alkali-metal flow and heat transfer, even in normal gravity. Existing data are conflicting and indequate for the task of modeling a space reactor using a two-phase alkali-metal coolant. The major features of past experiments are described here. Data from the reduced-gravity experiments with innocuous fluids are to be combined with normal gravity data from the two-phase alkali-metal experiments. Analyses undertaken here give every expectation that the correlations developed from this data base will provide a valid representation of alkali-metal heat transfer and pressure drop in reduced gravity

  17. Fate of alkali and trace metals in biomass gasification

    International Nuclear Information System (INIS)

    Salo, K.; Mojtahedi, W.

    1998-01-01

    The fate of alkali metals (Na, K) and eleven toxic trace elements (Hg, Cd, Be, Se, Sb, As, Pb, Zn, Cr, Co, Ni) in biomass gasification have been extensively investigated in Finland in the past ten years. The former due to the gas turbine requirements and the latter to comply with environmental regulations. In this paper the results of several experimental studies to measure Na and K in the vapor phase after the gas cooler of a simplified (air-blown) Integrated Gasification Combined-Cycle (IGCC) system are reported. Also, trace element emissions from an IGCC plant using alfalfa as the feedstock are discussed and the concentration of a few toxic trace metals in the vapor phase in the gasifier product gas are reported. (author)

  18. On-chip fabrication of alkali-metal vapor cells utilizing an alkali-metal source tablet

    International Nuclear Information System (INIS)

    Tsujimoto, K; Hirai, Y; Sugano, K; Tsuchiya, T; Tabata, O; Ban, K; Mizutani, N

    2013-01-01

    We describe a novel on-chip microfabrication technique for the alkali-metal vapor cell of an optically pumped atomic magnetometer (OPAM), utilizing an alkali-metal source tablet (AMST). The newly proposed AMST is a millimeter-sized piece of porous alumina whose considerable surface area holds deposited alkali-metal chloride (KCl) and barium azide (BaN 6 ), source materials that effectively produce alkali-metal vapor at less than 400 °C. Our experiments indicated that the most effective pore size of the AMST is between 60 and 170 µm. The thickness of an insulating glass spacer holding the AMST was designed to confine generated alkali metal to the interior of the vapor cell during its production, and an integrated silicon heater was designed to seal the device using a glass frit, melted at an optimum temperature range of 460–490 °C that was determined by finite element method thermal simulation. The proposed design and AMST were used to successfully fabricate a K cell that was then operated as an OPAM with a measured sensitivity of 50 pT. These results demonstrate that the proposed concept for on-chip microfabrication of alkali-metal vapor cells may lead to effective replacement of conventional glassworking approaches. (paper)

  19. Upgrading of petroleum oil feedstocks using alkali metals and hydrocarbons

    Science.gov (United States)

    Gordon, John Howard

    2014-09-09

    A method of upgrading an oil feedstock by removing heteroatoms and/or one or more heavy metals from the oil feedstock composition. This method reacts the oil feedstock with an alkali metal and an upgradant hydrocarbon. The alkali metal reacts with a portion of the heteroatoms and/or one or more heavy metals to form an inorganic phase separable from the organic oil feedstock material. The upgradant hydrocarbon bonds to the oil feedstock material and increases the number of carbon atoms in the product. This increase in the number of carbon atoms of the product increases the energy value of the resulting oil feedstock.

  20. Device for removing alkali metal residues from heat exchanger

    International Nuclear Information System (INIS)

    Matal, O.

    1987-01-01

    The main parts of the facility consists of a condensing vessel and a vacuum pump unit interconnected via a vacuum pipe. The heat exchanger is heated to a temperature at which the alkali metal residues evaporate. Metal vapors are collected in the condensing vessel where they condense. The removal of the alkali metal residues from the heat exchanger pipes allows thorough inspection of the pipe inside during scheduled nuclear power plant shutdowns. The facility can be used especially with reverse steam generators. (E.S.). 1 fig

  1. Exploration of the catalytic use of alkali metal bases

    OpenAIRE

    Bao, Wei

    2017-01-01

    This PhD thesis project was concerned with the use of alkali metal amide Brønsted bases and alkali metal alkoxide Lewis bases in (asymmetric) catalysis. The first chapter deals with formal allylic C(sp3)–H bond activation of aromatic and functionalized alkenes for subsequent C–C and C–H bond formations. The second chapter is focused on C(sp3)–Si bond activation of fluorinated pro-nucleophiles in view of C–C bond formations. In the first chapter, a screening of various metal amides...

  2. Survival probability in small angle scattering of low energy alkali ions from alkali covered metal surfaces

    International Nuclear Information System (INIS)

    Neskovic, N.; Ciric, D.; Perovic, B.

    1982-01-01

    The survival probability in small angle scattering of low energy alkali ions from alkali covered metal surfaces is considered. The model is based on the momentum approximation. The projectiles are K + ions and the target is the (001)Ni+K surface. The incident energy is 100 eV and the incident angle 5 0 . The interaction potential of the projectile and the target consists of the Born-Mayer, the dipole and the image charge potentials. The transition probability function corresponds to the resonant electron transition to the 4s projectile energy level. (orig.)

  3. Molybdenum/alkali metal/ethylene glycol complexes useful as epoxidation catalysts

    International Nuclear Information System (INIS)

    Marquis, E.T.; Sanderson, J.R.; Keating, K.P.

    1987-01-01

    This patent describes a clear, storage stable solution of a molybdenum/alkali metal/ethylene glycol complex in ethylene glycol made by the process comprising: reacting at an elevated temperature between about 25 0 and 150 0 C a solid ammonium molybdate or a hydrate thereof and a solid alkali metal molybdate or a hydrate thereof with ethylene glycol, such that the ratio of moles of ethylene glycol to total gram atoms of molybdenum in the molybdates ranges from about 7:10 to 10:1, and the ratio of gram atoms of molybdenum in the ammonium molybdate or hydrate thereof to gram atoms of molybdenum in the alkali metal molybdate is from about 1:1 to about 20:1 to thereby provide a reaction product composed of a solution of an alkali metal-containing complex of molybdenum, alkali metal and ethylene glycol and by-products, including water, in the ethylene glycol and subsequently stripping the solution at a reduced pressure to remove from about 5 to about 25% of the reaction product, as distillate, to thereby provide a storage stable solution of the complex in the ethylene glycol having a molybdenum content of about 6 wt. % to about 20 wt. %, a water concentration of about 0.1 wt. % to about 6 wt. % and an acid number of more than about 60

  4. Neuropsychiatric manifestations of alkali metal deficiency and excess

    Energy Technology Data Exchange (ETDEWEB)

    Yung, C.Y.

    1984-01-01

    The alkali metals from the Group IA of the periodic table (lithium, sodium, potassium, rubidium, cesium and francium) are reviewed. The neuropsychiatric aspects of alkali metal deficiencies and excesses (intoxications) are described. Emphasis was placed on lithium due to its clinical uses. The signs and symptoms of these conditions are characterized by features of an organic brain syndrome with delirium and encephalopathy prevailing. There are no clinically distinctive features that could be reliably used for diagnoses. Sodium and potassium are two essential alkali metals in man. Lithium is used as therapeutic agent in bipolar affective disorders. Rubidium has been investigated for its antidepressant effect in a group of psychiatric disorders. Cesium is under laboratory investigation for its role in carcinogenesis and in depressive illness. Very little is known of francium due to its great instability for experimental study.

  5. Dissolution of metallic uranium in alkalis

    International Nuclear Information System (INIS)

    Mondino, Angel V.; Wilkinson, Maria V.; Manzini, Alberto C.

    1999-01-01

    The dissolution of U metallic foils has been studied in the framework of the development of an improved 99 Mo-production process. The best conditions for the dissolution of uranium foils of approximately 150 μm are the following: a) NaClO concentrations of 0.20 and 0.23 M with NaOH of 0.27 and 0.31 M respectively; b) temperature of the solution, 70 C degrees; c) volume of the solution, 15 ml / cm 2 of uranium foil; d) dissolution time, 30 minutes. (author)

  6. Saturated vapor pressure over molten mixtures of GaCl3 and alkali metal chlorides

    International Nuclear Information System (INIS)

    Salyulev, A.B.; Smolenskij, V.V.; Moskalenko, N.I.

    2004-01-01

    Volatilities of GaCl 3 and alkali metal chlorides over diluted (up to 3 mol %) solutions of GaCl 3 in LiCl, NaCl, KCl, RbCl, and CsCl were measured at 1100 K by dynamic and indirect static methods. Chemical composition of saturated vapor over the mixed melts was determined. Partial pressures of the components were calculated. Their values depend essentially on specific alkali metal cation and on concentration of GaCl 3 ; their variation permits altering parameters of GaCl 3 distillation from the salt melt in a wide range [ru

  7. Ionic conductivity of polymer gels deriving from alkali metal ionic liquids and negatively charged polyelectrolytes

    International Nuclear Information System (INIS)

    Ogihara, Wataru; Sun Jiazeng; Forsyth, Maria; MacFarlane, Douglas R.; Yoshizawa, Masahiro; Ohno, Hiroyuki

    2004-01-01

    We have prepared polymer gel electrolytes with alkali metal ionic liquids (AMILs) that inherently contain alkali metal ions. The AMIL consisted of sulfate anion, imidazolium cation, and alkali metal cation. AMILs were mixed directly with poly(3-sulfopropyl acrylate) lithium salt or poly(2-acrylamido-2-methylpropanesulfonic acid) lithium salt to form polymer gels. The ionic conductivity of these gels decreased with increasing polymer fraction, as in general ionic liquid/polymer mixed systems. At low polymer concentrations, these gels displayed excellent ionic conductivity of 10 -4 to 10 -3 S cm -1 at room temperature. Gelation was found to cause little change in the 7 Li diffusion coefficient of the ionic liquid, as measured by pulse-field-gradient NMR. These data strongly suggest that the lithium cation migrates in successive pathways provided by the ionic liquids

  8. Long-range interactions among three alkali-metal atoms

    International Nuclear Information System (INIS)

    Marinescu, M.; Starace, A.F.

    1996-01-01

    The long-range asymptotic form of the interaction potential surface for three neutral alkali-metal atoms in their ground states may be expressed as an expansion in inverse powers of inter-nuclear distances. The first leading powers are proportional to the dispersion coefficients for pairwise atomic interactions. They are followed by a term responsible for a three body dipole interaction. The authors results consist in evaluation of the three body dipole interaction coefficient between three alkali-metal atoms. The generalization to long-range n atom interaction terms will be discussed qualitatively

  9. Heat transfer characteristics of alkali metals flowing across tube banks

    International Nuclear Information System (INIS)

    Sugiyama, K.; Ishiguro, R.; Kojima, Y.; Kanaoka, H.

    2004-01-01

    For the purpose of getting heat transfer coefficients of alkali metals flowing across tube banks at an acceptable level, we propose to use an inviscid-irrotational flow model, which is based on our flow visualization experiment. We show that the heat transfer coefficients obtained for the condition where only the test rod is heated in tube banks considerably differ from those obtained for the condition where all the rods are heated, because of interference between thick thermal boundary layers of alkali metals. We also confirm that the analytical values obtained by this flow model are in a reasonable agreement with experimental values. (author)

  10. Recent progress in rechargeable alkali metalâair batteries

    OpenAIRE

    Xin Zhang; Xin-Gai Wang; Zhaojun Xie; Zhen Zhou

    2016-01-01

    Rechargeable alkali metalâair batteries are considered as the most promising candidate for the power source of electric vehicles (EVs) due to their high energy density. However, the practical application of metalâair batteries is still challenging. In the past decade, many strategies have been purposed and explored, which promoted the development of metalâair batteries. The reaction mechanisms have been gradually clarified and catalysts have been rationally designed for air cathodes. In this ...

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

    International Nuclear Information System (INIS)

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

    2008-01-01

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

  12. Development and testing of on-line analytical instrumentation for alkali and heavy metal release in pressurised conversion processes

    Energy Technology Data Exchange (ETDEWEB)

    Hernberg, R; Haeyrinen, V; Oikari, R [Tampere Univ. of Technology (Finland)

    1997-10-01

    The purpose of the project is to demonstrate in industrial conditions and further develop the continuous alkali measurement method plasma excited alkali resonance line spectroscopy (PEARLS) developed at Tampere University of Technology (TUT). The demonstration takes place in joint measuring campaigns, where two other continuous alkali measurement methods, ELIF and surface ionisation, are being simultaneously demonstrated. A modification of PEARLS will also be developed for the continuous measurement of heavy metal concentrations. A market study of continuous measuring techniques for alkali and heavy metals is further part of the project. The method will be demonstrated in two pressurised fluidised bed combustion facilities. One of these is the 10 MW PCFB of Foster Wheeler Energia Oy in Karhula. The second one is yet to be decided. The first measuring campaign is scheduled for the spring of 1997 in Karhula. In 1996 the group at TUT participated in the performance of a market study regarding continuous measuring techniques for alkali and heavy metal concentrations. A draft report was submitted to and approved by the EC. Development work on PEARLS in 1996 has centered around the construction of a calibration device for alkali measurements. The device can be used by all three measuring techniques in the project to check readings against a known alkali concentration at controlled and known conditions. In 1996 PEARLS was applied for alkali measurement at several pressurised combustion installations of laboratory and industrial pilot scale

  13. Influence of alkali metal hydroxides on corrosion of Zr-based alloys

    International Nuclear Information System (INIS)

    Jeong, Y.H.; Ruhmann, H.; Garzarolli, F.

    1997-01-01

    In this study the influence of group-1 alkali hydroxides on different zirconium based alloys has been evaluated. The experiments have been carried out in small stainless steel autoclaves at 350 deg. C in pressurized 17 MPa water, with in low (0.32 mmol), medium (4.3 mmol) and high (31.5 mmol) equimolar concentrations of Li-, Na-, K-, Rb- and Cs-Hydroxides. Two types of alloys have been investigated: Zr-Sn-(Transition metal) and Zr-Sn-Nb-(Transition metal). The corrosion behaviour was evaluated from weight gain measurements. From the experiments the cation could be identified as the responsible species for zirconium alloy corrosion in alkalized water. The radius of the cation governs the corrosion behaviour in the pre accelerated region of zircaloy corrosion. Incorporating of alkali cations into the zirconium oxide lattice is probably the mechanism which allows the corrosion enhancement for Li and Na and the significantly lower effect for the other bases. Nb containing alloys show lower corrosion resistance than alloys from the Zr-Sn-TRM system in all alkali solutions. Both types of alloys corrode significantly more in LiOH and NaOH than in the other alkali environments. Lowest corrosive aggressiveness has been found for CsOH followed by KOH. Concluding from the corrosion behaviour in the different alkali environments and taking into account the tendency to promote accelerate corrosion, CsOH and KOH are possible alternate alkalis for PWR application. (author). 17 refs, 15 figs, 5 tabs

  14. Influence of alkali metal hydroxides on corrosion of Zr-based alloys

    Energy Technology Data Exchange (ETDEWEB)

    Jeong, Y H [Korea Atomic Energy Research Inst., Dae Jun (Korea, Republic of); Ruhmann, H; Garzarolli, F [Siemens-KWU, Power Generation Group, Erlangen (Germany)

    1997-02-01

    In this study the influence of group-1 alkali hydroxides on different zirconium based alloys has been evaluated. The experiments have been carried out in small stainless steel autoclaves at 350 deg. C in pressurized 17 MPa water, with in low (0.32 mmol), medium (4.3 mmol) and high (31.5 mmol) equimolar concentrations of Li-, Na-, K-, Rb- and Cs-Hydroxides. Two types of alloys have been investigated: Zr-Sn-(Transition metal) and Zr-Sn-Nb-(Transition metal). The corrosion behaviour was evaluated from weight gain measurements. From the experiments the cation could be identified as the responsible species for zirconium alloy corrosion in alkalized water. The radius of the cation governs the corrosion behaviour in the pre accelerated region of zircaloy corrosion. Incorporating of alkali cations into the zirconium oxide lattice is probably the mechanism which allows the corrosion enhancement for Li and Na and the significantly lower effect for the other bases. Nb containing alloys show lower corrosion resistance than alloys from the Zr-Sn-TRM system in all alkali solutions. Both types of alloys corrode significantly more in LiOH and NaOH than in the other alkali environments. Lowest corrosive aggressiveness has been found for CsOH followed by KOH. Concluding from the corrosion behaviour in the different alkali environments and taking into account the tendency to promote accelerate corrosion, CsOH and KOH are possible alternate alkalis for PWR application. (author). 17 refs, 15 figs, 5 tabs.

  15. Influence of alkali metal hydroxides on corrosion of Zr-base alloys

    International Nuclear Information System (INIS)

    Jeong, Yong Hwan

    1996-01-01

    The influence of group-1 alkali hydroxides on different Zr-based alloys have been carried out in static autoclaves at 350 deg C in pressurized water, conditioned in low(0.32 mmol), medium(4.3 mmol) and high(31.5 mmol) equimolar concentration of Li-, Na-, K-, Rb- and Cs-hydroxide. Two types of alloys have been investigated: Zr-Sn-(TRM, Transition metal) and Zr-Sn-Nb-(TRM, Transition metal). From the experiments the cation could be identified as the responsible species for corrosion of Zr alloy in alkalized water. The radius of the cation governs the accelerated corrosion in the pre-transition region of Zr alloy. Incorporation of alkali cation into the zirconium oxide lattice is probably the mechanism which allows the corrosion enhancement for Li and Na and the significant lower effect for the other bases. Nb containing alloys showed lower corrosion resistance than Zr-Sn-TRM alloys in all alkali solutions. Both types of alloys were corroded significantly more in LiOH and NaOH than in the other alkali environments. Lowest corrosive aggressiveness has been found for CsOH followed by KOH. Concluding from the corrosion behavior in the different alkali environments and taking into account the tendency to accelerate the corrosion of Zr alloys, CsOH and KOH are possible alternate alkali for PWR (Pressurized Water Reactor) application. (author)

  16. Synthesis and structural characterization of alkali metal arsinoamides.

    Science.gov (United States)

    Chen, Xiao; Gamer, Michael T; Roesky, Peter W

    2017-12-20

    The aminoarsane Mes 2 AsN(H)Ph was prepared from Mes 2 AsCl and aniline in good yields. Deprotonation of Mes 2 AsN(H)Ph with suitable alkali metal bases resulted in the corresponding alkali metal derivatives. Thus, reaction of Mes 2 AsN(H)Ph with nBuLi, NaN(SiMe 3 ) 2 , or KH gave the metal complexes [(Mes 2 AsNPh){Li(OEt 2 ) 2 }], [(Mes 2 AsNPh){Na(OEt 2 )}] 2 , and [(Mes 2 AsNPh){K(THF)}] 2 . These are the first metal complexes ligated by an arsinoamide. All solid-state structures were established by single crystal X-ray diffraction. The lithium compounds form a monomer in the solid-state, whereas the sodium and the potassium derivatives are dimers. In the dimeric compounds intra- and intermolecular π-interaction of the aromatic rings with the metal atoms is observed.

  17. 40 CFR 721.5452 - Alkali metal salt of halogenated organoborate (generic).

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Alkali metal salt of halogenated... Specific Chemical Substances § 721.5452 Alkali metal salt of halogenated organoborate (generic). (a... generically as alkali metal salt of halogenated organoborate (PMN P-00-0638) is subject to reporting under...

  18. 40 CFR 721.5985 - Fatty alkyl phosphate, alkali metal salt (generic).

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Fatty alkyl phosphate, alkali metal... Specific Chemical Substances § 721.5985 Fatty alkyl phosphate, alkali metal salt (generic). (a) Chemical... as a fatty alkyl phosphate, alkali metal salt (PMN P-99-0385) is subject to reporting under this...

  19. Interaction of calcium oxide with molten alkali metal chlorides

    International Nuclear Information System (INIS)

    Volkovich, A.V.; Zhuravlev, V.I.; Ermakov, D.S.; Magurina, M.V.

    1999-01-01

    Calcium oxide solubility in molten lithium, sodium, potassium, cesium chlorides and their binary mixtures is determined in a temperature range of 973-1173 K by the method of isothermal saturation. Mechanisms of calcium oxide interaction with molten alkali metal chlorides are proposed

  20. Structure of liquid alkali metals as electron-ion plasmas

    International Nuclear Information System (INIS)

    Chaturvedi, D.K.; Senatore, G.; Tosi, M.P.

    1980-08-01

    The static structure factor of liquid alkali metals near freezing, and its dependence on temperature and pressure, are evaluated in an electron-ion plasma model from an accurate theoretical determination of the structure factor of the one-component classical plasma and electron-screening theory. Very good agreement is obtained with the available experimental data. (author)

  1. Structural properties of low-density liquid alkali metals

    Indian Academy of Sciences (India)

    The static structure factors of liquid alkali metals have been modelled at temperatures close to their melting points and a few higher temperatures using the reverse Monte Carlo (RMC) method. The positions of 5000 atoms in a box, with full periodicity, were altered until the experimental diffraction data of the structure factor ...

  2. Ion conducting fluoropolymer carbonates for alkali metal ion batteries

    Science.gov (United States)

    DeSimone, Joseph M.; Pandya, Ashish; Wong, Dominica; Balsara, Nitash P.; Thelen, Jacob; Devaux, Didier

    2017-09-05

    Liquid or solid electrolyte compositions are described that comprise a homogeneous solvent system and an alkali metal salt dissolved in said solvent system. The solvent system may comprise a fluoropolymer, having one or two terminal carbonate groups covalently coupled thereto. Batteries containing such electrolyte compositions are also described.

  3. Momentum densities and Compton profiles of alkali-metal atoms

    Indian Academy of Sciences (India)

    Abstract. It is assumed that the dynamics of valence electrons of alkali-metal atoms can be well accounted for by a quantum-defect theoretic model while the core electrons may be supposed to move in a self-consistent field. This model is used to study the momentum properties of atoms from. 3Li to 37Rb. The numerical ...

  4. Selectivity in stripping of alkali-metal cations from crown ether carboxylate complexes

    International Nuclear Information System (INIS)

    Bartsch, R.A.; Walkowiak, W.; Robison, T.W.

    1992-01-01

    To probe the effect of structural variations within the ionophore upon the efficiency and selectivity of solvent extraction, a variety of crown ether carboxylic acids and phosphonic acid monoesters have been synthesized. In other studies the influence of the organic diluent upon extraction efficiency and selectivity has been probed for such proton-ionizable crown ethers. In the present investigation, attention is focused upon selectivity in the stripping step. Although the efficiency of metal ion stripping is often examined in solvent extraction studies, the selectivity of competitive metal ion release under different conditions is much less frequently considered. In this study, competitive stripping of metal ions from chloroform solutions of five-alkali-metal crown ether carboxylates by varying concentrations of aqueous hydrochloric acid is examined. Alkali metals used were Li, Na, K, Rb, and Cs

  5. Effect of alkali metal cations on anodic dissolution of gold in cyanide solutions. Potentiodynamic measurement

    International Nuclear Information System (INIS)

    Bek, R.Yu.; Rogozhnikov, N.A.; Kosolapov, G.V.

    1998-01-01

    It is shown that gold dissolution rate in cyanic solutions in Li + , Na + , K + , Cs + cation series increases basically and decreases under cation concentration increasing. Cation effect on current value is caused by cations drawing in dense layer. A model of dense part of double layer with two Helmholtz planes (anion and cation) is suggested. Effect of nature and concentration of alkali metal cations on gold dissolution rate is explained on the base of the model [ru

  6. 40 CFR 721.4663 - Fluorinated carboxylic acid alkali metal salts.

    Science.gov (United States)

    2010-07-01

    ... Specific Chemical Substances § 721.4663 Fluorinated carboxylic acid alkali metal salts. (a) Chemical... fluorinated carboxylic acid alkali metal salts (PMNs P-95-979/980/981) are subject to reporting under this... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Fluorinated carboxylic acid alkali...

  7. 40 CFR 721.10098 - Disubstituted benzoic acid, alkali metal salt (generic).

    Science.gov (United States)

    2010-07-01

    ... New Uses for Specific Chemical Substances § 721.10098 Disubstituted benzoic acid, alkali metal salt... identified generically as disubstituted benzoic acid, alkali metal salt (PMN P-03-643) is subject to... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Disubstituted benzoic acid, alkali...

  8. Alkali Metal Coolants. Proceedings of the Symposium on Alkali Metal Coolants - Corrosion Studies and System Operating Experience

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1967-06-15

    Proceedings of a Symposium organized by the IAEA and held in Vienna, 28 November - 2 December 1966. The meeting was attended by 107 participants from 16 countries and two international organizations. Contents: Review papers (2 papers); Corrosion of steels and metal alloys (6 papers); Mass transfer in alkali metal systems, behaviour of carbon (5 papers); Effects of sodium environment on mechanical properties of materials (3 papers); Effect of water leakage into sodium systems (2 papers); Design-and operation of testing apparatus (6 papers); Control, measurements and removal of impurities (13 papers); Corrosion by other alkali metals: NaK, K, Li, Cs (6 papers); Behaviour of fission products (3 papers). Each paper is in its original language (32 English, 6 French and 8 Russian) and is preceded by an abstract in English and one in the original language if this is not English. Discussions are in English. (author)

  9. Alkali Metal Coolants. Proceedings of the Symposium on Alkali Metal Coolants - Corrosion Studies and System Operating Experience

    International Nuclear Information System (INIS)

    1967-01-01

    Proceedings of a Symposium organized by the IAEA and held in Vienna, 28 November - 2 December 1966. The meeting was attended by 107 participants from 16 countries and two international organizations. Contents: Review papers (2 papers); Corrosion of steels and metal alloys (6 papers); Mass transfer in alkali metal systems, behaviour of carbon (5 papers); Effects of sodium environment on mechanical properties of materials (3 papers); Effect of water leakage into sodium systems (2 papers); Design-and operation of testing apparatus (6 papers); Control, measurements and removal of impurities (13 papers); Corrosion by other alkali metals: NaK, K, Li, Cs (6 papers); Behaviour of fission products (3 papers). Each paper is in its original language (32 English, 6 French and 8 Russian) and is preceded by an abstract in English and one in the original language if this is not English. Discussions are in English. (author)

  10. Chemical compatibility of structural materials in alkali metals

    International Nuclear Information System (INIS)

    Natesan, K.; Rink, D.L.; Haglund, R.

    1995-01-01

    The objectives of this task are to (a) evaluate the chemical compatibility of structural alloys such as V-5 wt.%Cr-5 wt.%Ti alloy and Type 316 stainless steel for application in liquid alkali metals such as lithium and sodium-78 wt.% potassium (NaK) at temperatures in the range that are of interest for International Thermonuclear Experimental Reactor (ITER); (b) evaluate the transfer of nonmetallic elements such as oxygen, nitrogen, carbon, and hydrogen between structural materials and liquid metals; and (c) evaluate the effects of such transfers on the mechanical and microstructural characteristics of the materials for long-term service in liquid-metal-environments

  11. Reaction of cerium dioxide with alkali metal alkoxides

    International Nuclear Information System (INIS)

    Sato, Nobuaki; Fujino, Takeo

    1992-01-01

    The gas-solid reaction process using volatile alkali metal alkoxides has many advantages in producing the uranates (plutonates) which are expected to improve the dissolution behavior of the fuel into nitric acid. In this work, the reactions of CeO 2 , which was used as a non-radioactive stand-in of PuO 2 , with MOBu t (M = Li, K) under several conditions were examined. In the case of the M y Ce 1-y O 2-x synthesized by an aqueous method, the lattice parameter was slightly increased with increasing M concentration, y, up to 0.20. When the LiOBu t vapor reacted with CeO 2 , a new fluorite phase having a = 5.4935 A, y = 0.044, x = 0.30 was formed over 973 K. A similar compound (a = 5.4797 A, y = 0.035, x = 0.22) was observed by the reaction of CeO 2 with KOBu t . (author)

  12. Polarizabilities and hyperpolarizabilities of the alkali metal atoms

    Energy Technology Data Exchange (ETDEWEB)

    Fuentealba, P. (Chile Univ., Santiago (Chile). Departamento de Fisica and Centro de Mecanica Cuantica Aplicada (CMCA)); Reyes, O. (Chile Univ., Santiago (Chile). Dept. de Fisica)

    1993-08-14

    The electric static dipole polarizability [alpha], quadrupole polarizability C, dipole-quadrupole polarizability B, and the second dipole hyperpolarizability [gamma] have been calculated for the alkali metal atoms in the ground state. The results are based on a pseudopotential which is able to incorporate the very important core-valence correlation effect through a core polarization potential, and, in an empirical way, the main relativistic effects. The calculated properties compare very well with more elaborated calculations for the Li atom, excepting the second hyperpolarizability [gamma]. For the other atoms, there is neither theoretical nor experimental information about most of the higher polarizabilities. Hence, the results of this paper should be seen as a first attempt to give a complete account of the series expansion of the interaction energy of an alkali metal atom and a static electric field. (author).

  13. Polarizabilities and hyperpolarizabilities of the alkali metal atoms

    International Nuclear Information System (INIS)

    Fuentealba, P.; Reyes, O.

    1993-01-01

    The electric static dipole polarizability α, quadrupole polarizability C, dipole-quadrupole polarizability B, and the second dipole hyperpolarizability γ have been calculated for the alkali metal atoms in the ground state. The results are based on a pseudopotential which is able to incorporate the very important core-valence correlation effect through a core polarization potential, and, in an empirical way, the main relativistic effects. The calculated properties compare very well with more elaborated calculations for the Li atom, excepting the second hyperpolarizability γ. For the other atoms, there is neither theoretical nor experimental information about most of the higher polarizabilities. Hence, the results of this paper should be seen as a first attempt to give a complete account of the series expansion of the interaction energy of an alkali metal atom and a static electric field. (author)

  14. Momentum densities and Compton profiles of alkali-metal atoms

    Indian Academy of Sciences (India)

    It is assumed that the dynamics of valence electrons of alkali-metal atoms can be well accounted for by a quantum-defect theoretic model while the core electrons may be supposed to move in a self-consistent field. This model is used to study the momentum properties of atoms from 3Li to 37Rb. The numerical results ...

  15. Inner-shell excitation of alkali-metal atoms

    International Nuclear Information System (INIS)

    Tiwary, S.N.

    1987-06-01

    Inner-shell excitation of alkali-metal atoms, which leads to auto-ionization, is reviewed. The validity of quantum mechanical approximation is analyzed and the importance of exchange and correlation is demonstrated. Basic difficulties in making accurate calculations for inner-shell excitation process are discussed. Suggestions are made for further study of inner-shell process in atoms and ions. (author). 26 refs, 4 figs, 1 tab

  16. Thermal Coefficient of Redox Potential of Alkali Metals

    Science.gov (United States)

    Fukuzumi, Yuya; Hinuma, Yoyo; Moritomo, Yutaka

    2018-05-01

    The thermal coefficient (α) of redox potential (V) is a significant physical quantity that converts the thermal energy into electric energy. In this short note, we carefully determined α of alkali metals (A = Li and Na) against electrolyte solution. The obtained α is much larger than that expected from the specific heat (CpA) of solid A and depends on electrolyte solution. These observations indicate that the solvent has significant effect on α.

  17. Collective excitations in deformed alkali metal clusters

    International Nuclear Information System (INIS)

    Lipparini, E.; Stringari, S.; Istituto Nazionale di Fisica Nucleare, Povo

    1991-01-01

    A theoretical study of collective excitations in deformed metal clusters is presented. Sum rules are used to study the splittings of the dipole surface plasma resonance originating from the cluster deformation. The vibrating potential model is developed and used to predict the occurrence of a low lying collective mode of orbital magnetic nature. (orig.)

  18. Determination of a various ions such as alkali metals in leaves, stems, roots and seeds of the radish and their distribution

    International Nuclear Information System (INIS)

    Fujino, Osamu; Matsui, Masakazu.

    1995-01-01

    Determination, uptake and distribution of various ions such as alkali metals in three different parts (leaf, stem and root) and seeds of radish (Kaiware daikon) were examined using flame emission spectrometry and ICP-AES. In order to examine the influence of concentration alkali metal ion concentration in the radish culture solution on the uptake and distribution of these metals, the radish was grown at pH 5.6 in solutions containing alkali metal chloride at concentrations ranging from 10 -5 to 10 -1 mol dm -3 . When the radish were grown in culture solution with alkali metal ions of low concentrations (10 -5 and 10 -4 mol dm -3 ), Na, K, Rb and trace Li were detected in leaves, stems and roots while Cs was scarcely detected. However, the contents of Na, K, Li in these organs were the same as those in radish cultivated in pure water. An increase of Rb uptake was observed with an increased Rb concentration. In the case of high concentrations (10 -3 and 10 -2 mol dm -3 ) of alkali metals in culture solution, the all alkali ions uptake of all alkali ions suddenly accelerated. Moreover, at concentrations higher than 0.1 mol dm -3 , the radish germinated poorly and did not completely mature. (author)

  19. Highly reproducible alkali metal doping system for organic crystals through enhanced diffusion of alkali metal by secondary thermal activation.

    Science.gov (United States)

    Lee, Jinho; Park, Chibeom; Song, Intek; Koo, Jin Young; Yoon, Taekyung; Kim, Jun Sung; Choi, Hee Cheul

    2018-05-16

    In this paper, we report an efficient alkali metal doping system for organic single crystals. Our system employs an enhanced diffusion method for the introduction of alkali metal into organic single crystals by controlling the sample temperature to induce secondary thermal activation. Using this system, we achieved intercalation of potassium into picene single crystals with closed packed crystal structures. Using optical microscopy and Raman spectroscopy, we confirmed that the resulting samples were uniformly doped and became K 2 picene single crystal, while only parts of the crystal are doped and transformed into K 2 picene without secondary thermal activation. Moreover, using a customized electrical measurement system, the insulator-to-semiconductor transition of picene single crystals upon doping was confirmed by in situ electrical conductivity and ex situ temperature-dependent resistivity measurements. X-ray diffraction studies showed that potassium atoms were intercalated between molecular layers of picene, and doped samples did not show any KH- nor KOH-related peaks, indicating that picene molecules are retained without structural decomposition. During recent decades, tremendous efforts have been exerted to develop high-performance organic semiconductors and superconductors, whereas as little attention has been devoted to doped organic crystals. Our method will enable efficient alkali metal doping of organic crystals and will be a resource for future systematic studies on the electrical property changes of these organic crystals upon doping.

  20. Alkali and heavy metal emissions of the PCFB-process; Alkali- ja raskasmetallipaeaestoet PCFB-prosessista

    Energy Technology Data Exchange (ETDEWEB)

    Kuivalainen, R; Eriksson, T; Lehtonen, P [Foster Wheeler Energia Oy, Karhula (Finland)

    1997-10-01

    Pressurized Circulating Fluidized Bed (PCFB) combustion technology has been developed in Karhula R and D Center since 1986. As part of the development, 10 MW PCFB test facility was built in 1989. The test facility has been used for performance testing with different coal types through the years 1990-1995 in order to gain data for design and commercialization of the high-efficiency low-emission PCFB combustion technology. The main object of the project was to measure vapor phase Na and K concentrations in the PCFB flue gas after hot gas filter and investigate the effects of process conditions and sorbents on alkali release. The measurements were performed using plasma assisted method of TUT Laboratory of Plasma Technology and wet absorption method of VTT Energy. The measurements were carried out during three test campaigns at PCFB Test Facility in Karhula. In autumn 1995 both VTT and TUT methods were used. The measurements of the following test period in spring 1996 were performed by VTT, and during the last test segment in autumn 1996 TUT method was in use. During the last test period, the TUT instrument was used as semi-continuous (3 values/minute) alkali analyzer for part of the time. The measured Na concentrations were below 30 ppb(w) in all measured data points. The results of K were below 10 ppb(w). The accuracies of the both methods are about +50 % at this concentration range. The scatter of the data covers the effects of different process variables on the alkali emission. The measured emissions are at the same order of magnitude as the guideline emission limits estimated by gas turbine manufacturers

  1. Distributions of alkali metals, alkaline earth metals and halogens in cabbage leaves

    International Nuclear Information System (INIS)

    Tsukada, Hirofumi; Takeda, Akira; Hasegawa, Hidenao

    2007-01-01

    The distributions of stable elements in plant components provide useful information for understanding the behavior of radionuclides in plants. An entire cabbage plant sample was collected from an experimental field, and the distributions of alkali metals (K, Rb and Cs), alkaline earth metals (Ca, Sr and Ba) and halogens (Cl and I) were determined for cabbage leaves at different positions. The concentration of Cs in outer (older) cabbage leaves was higher than that in inner (younger) leaves, but the distributions of K and Rb concentrations were relatively similar in cabbage leaves, independent of leaf positions. The concentration of Sr in older cabbage leaves was one order of magnitude higher than that in younger leaves. The distributions of Ca, Ba and Sr concentrations in the plant followed a similar pattern. The concentrations of halogens were also very rich in the outer leaves. The percentage distributions of Cs, Sr, Cl and I in the inedible (extreme outer) leaves were 77, 91, 93 and 96% of the total content in the leaf part, respectively. These results show that the inedible plant components are important for understanding the transfer of the radioactive Cs, Sr Cl and I in soil-plant systems. (author)

  2. Method for preparation of melts of alkali metal chlorides with highly volatile polyvalent metal chlorides

    International Nuclear Information System (INIS)

    Salyulev, A.B.; Kudyakov, V.Ya.

    1990-01-01

    A method for production of alkali metal (Cs, Rb, K) chloride melts with highly volatile polyvalent metal chlorides is suggested. The method consists, in saturation of alkali metal chlorides, preheated to the melting point, by volatile component vapours (titanium tetrachloride, molybdenum or tantalum pentachloride) in proportion, corresponding to the composition reguired. The saturation is realized in an evacuated vessel with two heating areas for 1-1.5 h. After gradual levelling of temperature in both areas the product is rapidly cooled. 1 fig.; 1 tab

  3. Corrosion resistance of metals and alloys in molten alkalies

    International Nuclear Information System (INIS)

    Zarubitskij, O.G.; Dmitruk, B.F.; Minets, L.A.

    1979-01-01

    Literature data on the corrosion of non-ferrous and noble metals, iron and steels in the molten alkalis and mixtures of their base are presented. It is shown that zirconium, niobium and tantalum are characterized by high corrosion stability in the molten NaOH. Additions of NaOH and KOH to the alkali chloride melts result in a 1000 time decrease of zirconium corrosion rate at 850 deg. The data testify to the characteristic passivating properties of OH - ions; Mo and W do not possess an ability to selfpassivation in hydroxide melts. Corrosion resistance of carbon and chromium-nickel steels in hydroxide melts depends considerably on the temperature, electrolyte composition and atmosphere over them. At the temperatures up to 600 deg C chromium-nickel steel is corrosion resistant in the molten alkali only in the inert atmosphere. Corrosion rate of chromium-nickel alloy is the lower the less chromium and the more nickel it contains. For the small installations the 4Kh18N25S2 and Kh23N28M3D3T steels can be recommended

  4. Nuclear alkali metal Rankine power systems for space applications

    International Nuclear Information System (INIS)

    Moyers, J.C.; Holcomb, R.S.

    1986-08-01

    Nucler power systems utilizing alkali metal Rankine power conversion cycles offer the potential for high efficiency, lightweight space power plants. Conceptual design studies are being carried out for both direct and indirect cycle systems for steady state space power applications. A computational model has been developed for calculating the performance, size, and weight of these systems over a wide range of design parameters. The model is described briefly and results from parametric design studies, with descriptions of typical point designs, are presented in this paper

  5. Temperatures and enthalpies of melting of alkali-metal perrhenates

    International Nuclear Information System (INIS)

    Lukas, W.; Gaune-Escard, M.

    1982-01-01

    Melting temperatures and enthalpies of melting were determined for alkali-metal perrhenates by differential enthalpic analysis using a high-temperature Calvet microcalorimeter. The following values were obtained: for LiReO 4 : 692 K and 24.9 kJ.mol -1 ; for NaReO 4 : 693 K and 33 kJ.mol -1 ; for KReO 4 : 828 K and 36 kJ.mol -1 ; for RbReO 4 : 878 K and 34 kJ.mol -1 ; for CsReO 4 : 893 K and 34 kJ.mol -1 . (author)

  6. Integrated oil production and upgrading using molten alkali metal

    Science.gov (United States)

    Gordon, John Howard

    2016-10-04

    A method that combines the oil retorting process (or other process needed to obtain/extract heavy oil or bitumen) with the process for upgrading these materials using sodium or other alkali metals. Specifically, the shale gas or other gases that are obtained from the retorting/extraction process may be introduced into the upgrading reactor and used to upgrade the oil feedstock. Also, the solid materials obtained from the reactor may be used as a fuel source, thereby providing the heat necessary for the retorting/extraction process. Other forms of integration are also disclosed.

  7. Separation of alkali metals by extraction chromatography using polyethers

    International Nuclear Information System (INIS)

    Smulek, W.; Lada, W.

    1977-01-01

    Separation of alkali metals by means of acyclic polyether 1,13 bis(8-chinolinyl)1, 4, 7, 10, 13 pentaoxatridecane (CPOD) and cyclic polyether dibenzo-18-crown-6 (DBC) using extraction chromatography is described. Solutions of NaSCN were used as eluting agents. The separation ability of the polyether columns strongly depends on pH and temperature. The following radioisotopes were used in the experiments: Na-22, K-42, Rb-86 and Cs-137. The radionuclide purity of the tracers was examined by γ-ray spectrometry using a Ge(Li) detector and a multichannel γ-ray spectrometer. (T.I.)

  8. Conductometric determination of solvation numbers of alkali metal cations

    International Nuclear Information System (INIS)

    Fialkov, Yu.Ya.; Gorbachev, V.Yu.; Chumak, V.L.

    1997-01-01

    Theories describing the interrelation of ion mobility with their effective radii in solutions are considered. Possibility of using these theories for determination the solvation numbers n s of some ions is estimated. According to conductometric data values of n s are calculated for alkali metal ions in propylene carbonate. The data obtained are compared with solvation numbers determined with the use of entropies of ions solvation. Change of n s values within temperature range 273.15-323.15 K is considered. Using literature data the effect of crystallographic radii of cations and medium permittivity on the the values of solvation numbers of cations are analyzed. (author)

  9. Nuclear alkali metal Rankine power systems for space applications

    International Nuclear Information System (INIS)

    Moyers, J.C.; Holcomb, R.S.

    1986-01-01

    Nuclear power systems utilizing alkali metal Rankine power conversion cycles offer the potential for high efficiency, lightweight space power plants. Conceptual design studies are being carried out for both direct and indirect cycle systems for steady state space power applications. A computational model has been developed for calculating the performance, size, and weight of these systems over a wide range of design parameters. The model is described briefly and results from parametric design studies, with descriptions of typical point designs, are presented in this paper

  10. The removal of alkali metals from hot gas

    Energy Technology Data Exchange (ETDEWEB)

    Orjala, M.; Haukka, P. (Valtion Teknillinen Tutkimuskeskus, Jyvaeskylae (Finland). Polttoaine- ja Polttotekniikan Lab.)

    1990-01-01

    In investigations in progress at the Fuel and Combustion Laboratory of the Technical Research Centre of Finland, we have been studying in co-operation with A. Ahlstrom Boiler Works, the removal of alkali metals from flue gases of ash-rich fuel with a dense suspension particle cooler. The applications of the particle cooler can be found in combined cycles and in industrial gas cleaning and heat recovery. We have also developed a general mathematical model of heat and mass transfer as well as chemical and physical reactions in multiphase systems.

  11. Pair potentials and structure factors of liquid alkali metals

    International Nuclear Information System (INIS)

    Kumaravadivel, R.; Tosi, M.P.

    1984-03-01

    Measured structure factors of liquid alkali metals are examined in the framework of screened-pair-potentials theory. Information on the main attractive well in the effective pair potential is obtained from the structural data by an approximate method stemming from an optimized random phase treatment of the indirect ion-ion attraction. The results are compared with a variety of theoretical pair potentials in the cases of sodium and potassium, after a test of the method against computer simulation data on a model for rubidium. Results for the other alkali metals are also given and discussed. The small-angle scattering region is then examined in considerable detail, with special attention to the possibility of a linear term in a series expansion of the structure factor at very small momentum transfer. Although sensitivity to both the bare electron-ion coupling and the local field factor in the screening function is demonstrated and analyzed, no linear term of the magnitude reported in recent X-ray diffraction experiments is found in the present theoretical framework. (author)

  12. 3718-F Alkali Metal Treatment and Storage Facility Closure Plan

    International Nuclear Information System (INIS)

    1992-11-01

    The Hanford Site, located northwest of the city of Richland, Washington, houses reactors, chemical-separation systems, and related facilities used for the production of special nuclear materials, as well as for activities associated with nuclear energy development. The 300 Area of the Hanford Site contains reactor fuel manufacturing facilities and several research and development laboratories. The 3718-F Alkali Metal Treatment and Storage Facility (3718-F Facility), located in the 300 Area, was used to store and treat alkali metal wastes. Therefore, it is subject to the regulatory requirements for the storage and treatment of dangerous wastes. Closure will be conducted pursuant to the requirements of the Washington Administrative Code (WAC) 173-303-610 (Ecology 1989) and 40 CFR 270.1. Closure also will satisfy the thermal treatment facility closure requirements of 40 CFR 265.381. This closure plan presents a description of the 3718-F Facility, the history of wastes managed, and the approach that will be followed to close the facility. Only hazardous constituents derived from 3718-F Facility operations will be addressed

  13. Freezing of liquid alkali metals as screened ionic plasmas

    International Nuclear Information System (INIS)

    Badirkhan, Z.; Rovere, M.; Tosi, M.P.

    1990-08-01

    The relationship between Wigner crystallization of the classical ionic plasma and the liquid-solid transition of alkali metals is examined within the density wave theory of freezing. Freezing of the classical plasma on a rigid neutralizing background into the bcc structure is first re-evaluated, in view of recent progress in the determination of its thermodynamic functions by simulation and of the known difficulties of the theory relating to the order parameter at the (200) star of reciprocal lattice vectors. Freezing into the fcc structure is also considered in this context and found to be unfavoured. On allowing for long-wavelength deformability of the background, the ensuing appearance of a volume change on freezing into the bcc structure is accompanied by reduced stability of the fluid phase and by an increase in the entropy of melting. Freezing of alkali metals into the bcc structure is next evaluated, taking their ionic pair structure as that of an ionic plasma reference fluid screened by conduction electrons and asking that the correct ionic coupling strength at liquid-solid coexistence should be approximately reproduced. The ensuring values of the volume and entropy changes across the phase transition, as estimated from the theory by two alternative routes, are in reasonable agreement with experiment. The order parameters of the phase transition, excepting the (200) one, conform rather closely to a Gaussian behaviour and yield a Lindemann ratio in reasonable agreement with the empirical value for melting of bcc crystals. It is suggested that ionic ordering at the (200) star in the metal may be (i) assisted by medium range ordering in the conduction electrons, as indicated by differences in X-ray and neutron diffraction intensities from the liquid, and/or (ii) quite small in the hot bcc solid. Such a possible premelting behaviour of bcc metals should be worth testing experimentally by diffraction. (author). 48 refs, 1 fig., 1 tab

  14. 50 years of superbases made from organolithium compounds and heavier alkali metal alkoxides

    Czech Academy of Sciences Publication Activity Database

    Lochmann, Lubomír; Janata, Miroslav

    2014-01-01

    Roč. 12, č. 5 (2014), s. 537-548 ISSN 1895-1066 R&D Projects: GA ČR GAP106/12/0844 Institutional support: RVO:61389013 Keywords : superbases * heavier alkali metal compounds * lithium -heavier alkali metal interchange Subject RIV: CD - Macromolecular Chemistry Impact factor: 1.329, year: 2013

  15. 40 CFR 721.10097 - Disubstituted benzenesulfonic acid, alkali metal salt (generic).

    Science.gov (United States)

    2010-07-01

    ... chemical substance identified generically as disubstituted benzenesulfonic acid, alkali metal salt (PMN P... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Disubstituted benzenesulfonic acid, alkali metal salt (generic). 721.10097 Section 721.10097 Protection of Environment ENVIRONMENTAL...

  16. Alkali solution extraction of rice residue protein isolates: Influence of alkali concentration on protein functional, structural properties and lysinoalanine formation.

    Science.gov (United States)

    Hou, Furong; Ding, Wenhui; Qu, Wenjuan; Oladejo, Ayobami Olayemi; Xiong, Feng; Zhang, Weiwei; He, Ronghai; Ma, Haile

    2017-03-01

    This study evaluated the nutrient property and safety of the rice residue protein isolates (RRPI) product (extracted by different alkali concentrations) by exploring the protein functional, structural properties and lysinoalanine (LAL) formation. The results showed that with the rising of alkali concentration from 0.03M to 0.15M, the solubility, emulsifying and foaming properties of RRPI increased at first and then descended. When the alkali concentration was greater than 0.03M, the RRPI surface hydrophobicity decreased and the content of thiol and disulfide bond, Lys and Cys significantly reduced. By the analysis of HPLC, the content of LAL rose up from 276.08 to 15,198.07mg/kg and decreased to 1340.98mg/kg crude protein when the alkali concentration increased from 0.03 to 0.09M and until to 0.15M. These results indicated that RRPI alkaline extraction concentration above 0.03M may cause severe nutrient or safety problems of protein. Copyright © 2016 Elsevier Ltd. All rights reserved.

  17. Post-harvest processing methods for reduction of silica and alkali metals in wheat straw.

    Science.gov (United States)

    Thompson, David N; Shaw, Peter G; Lacey, Jeffrey A

    2003-01-01

    Silica and alkali metals in wheat straw limit its use for bioenergy and gasification. Slag deposits occur via the eutectic melting of SiO2 with K2O, trapping chlorides at surfaces and causing corrosion. A minimum melting point of 950 degrees C is desirable, corresponding to an SiO2:K2O weight ratio of about 3:1. Mild chemical treatments were used to reduce Si, K, and Cl, while varying temperature, concentration, % solids, and time. Dilute acid was more effective at removing K and Cl, while dilute alkali was more effective for Si. Reduction of minerals in this manner may prove economical for increasing utilization of the straw for combustion or gasification.

  18. Post-Harvest Processing Methods for Reduction of Silica and Alkali Metals in Wheat Straw

    Energy Technology Data Exchange (ETDEWEB)

    Thompson, David Neal; Lacey, Jeffrey Alan; Shaw, Peter Gordon

    2002-04-01

    Silica and alkali metals in wheat straw limit its use for bioenergy and gasification. Slag deposits occur via the eutectic melting of SiO2 with K2O, trapping chlorides at surfaces and causing corrosion. A minimum melting point of 950°C is desirable, corresponding to SiO2:K2O of about 3:1. Mild chemical treatments were used to reduce Si, K, and Cl, while varying temperature, concentration, %-solids, and time. Dilute acid was more effective at removing K and Cl, while dilute alkali was more effective for Si. Reduction of minerals in this manner may prove economical for increasing utilization of the straw for combustion or gasification.

  19. Alkali and heavy metal emissions of the PCFB-process; Alkalipaeaestoet PCFB-prosessissa

    Energy Technology Data Exchange (ETDEWEB)

    Kuivalainen, R.; Eriksson, T.; Lehtonen, P. [Foster Wheeler Energia Oy, Karhula (Finland)

    1996-12-01

    Pressurized Circulating Fluidized Bed (PCFB) combustion technology has been developed in Karhula R and D Center since 1986. As a part of the development, 10 MW PCFB Test Facility was built in 1989. The Test Facility has been used for performance testing with different coal types through the years 1990-1995 in order to gain data for design and commercialization of the high-efficiency low-emission PCFB combustion technology. The project Y44 `Alkali and heavy metal emissions of the PCFB-process` was part of national LIEKKI 2 research program. The main object of the project was to measure vapor phase Na and K concentrations in the PCFB flue gas after hot gas filter and investigate the effects of process conditions and sorbents on alkali release. The measurements were performed using plasma assisted method by TUT Laboratory of Plasma Technology and wet absorption method of VTT Energy. The measured Na concentrations were below 30 ppb(w) in all measured data points. The results of K were below 10 ppb(w). The accuracies of the both methods are about + 50 % at this concentration range. The scatter of the data covers the effects of different process variables on the alkali emission. The measured emissions are at the same order of magnitude as the guideline emission limits estimated by gas turbine manufacturers. The measurements and development of the analyses methods are planned to be continued during PCFB test runs in spring 1996 for example within Joule II research program. (author)

  20. Assessment of alkali metal coolants for the ITER blanket

    International Nuclear Information System (INIS)

    Natesan, K.; Reed, C.B.; Mattas, R.F.

    1994-01-01

    The blanket system is one of the most important components of a fusion reactor because it has a major impact on both the economics and safety of fusion energy. The primary functions of the blanket in a deuterium/tritium-fueled fusion reactor are to convert the fusion energy into sensible heat and to breed tritium for the fuel cycle. The Blanket Comparison and Selection Study, conducted earlier, described the overall comparative performance of different blanket concepts, including liquid metal, molten salt, water, and helium. This paper will discuss the ITER requirements for a self-cooled blanket concept with liquid lithium and for indirectly cooled concepts that use other alkali metals such as NaK. The paper will address the thermodynamics of interactions between the liquid metals (i.e., lithium and NaK) and structural materials (e.g., V-base alloys), together with associated corrosion/compatibility issues. Available experimental data will be used to assess the long-term performance of the first wall in a liquid metal environment

  1. An alternative picture of alkali-metal-mediated metallation: cleave and capture chemistry.

    Science.gov (United States)

    Mulvey, Robert E

    2013-05-21

    This perspective article takes an alternative look at alkali-metal-mediated chemistry (exchange of a relatively inert C-H bond for a more reactive C-metal bond by a multicomponent reagent usually containing an alkali metal and a less electropositive metal such as magnesium or zinc). It pictures that the cleavage of selected C-H bonds can be accompanied by the capturing of the generated anion by the multi (Lewis acid)-(Lewis base) character of the residue of the bimetallic base. In this way small atoms or molecules (hydrides, oxygen-based anions) as well as sensitive organic anions (of substituted aromatic compounds, ethers or alkenes) can be captured. Cleave and capture reactions which occur in special positions on the organic substrate are also included.

  2. A study of fluid alkali metals in the critical region

    International Nuclear Information System (INIS)

    Balasubramanian, R.

    2006-01-01

    On the basis of the generalised van der Waals equation of state, Riedel's thermodynamic similarity parameter, a measure of the temperature dependence of vapour pressure in the critical region is determined for caesium, rubidium and potassium. This generalised equation differs from the known van der Waals equation of state by the modified expression for molecular pressure. The results of determination of Riedel's thermodynamic similarity parameter of caesium, rubidium and potassium are in good agreement with experimental data. Moreover, the given generalised van der Waals equation of state yields a better fit with experimental data on Riedel's thermodynamic similarity parameter for fluid alkali metals when compared with other correlations such as Van Ness and Abbott equation, Pitzer expansion, Pitzer acentric factor correlation, modified Rackett technique, Lee-Kesler vapour pressure relation and Clausius-Clayperon equation

  3. Effective interionic pair potentials in liquid alkali metals

    International Nuclear Information System (INIS)

    Kumaravadivel, R.

    1984-06-01

    Information on the effective pair potential of liquid alkali metals is obtained from liquid structure factor data by the combination of two approximate methods in the theory of liquids. One method stems from treating the indirect ion-ion interaction in the optimised random phase approximation (ORPA) and the other uses the modified hypernetted chain (MHNC) equation. It is shown that, in the region of the main attractive well, the effective pair potential is bracketed by the results obtained from these two methods. The MHNC inversion scheme does not fare well in providing information on the potential in the region of interionic distance in the tail of the interionic potential. A cross-over from the hard-sphere bridge function to the mean spherical approximation (MSA) bridge function for the long range behaviour of the bridge term in the MHNC equation does not provide appreciable improvement. (author)

  4. 3718-F Alkali Metal Treatment and Storage Facility Closure Plan

    International Nuclear Information System (INIS)

    1991-12-01

    Since 1987, Westinghouse Hanford Company has been a major contractor to the U.S. Department of Energy-Richland Operations Office and has served as co-operator of the 3718-F Alkali Metal Treatment and Storage Facility, the waste management unit addressed in this closure plan. The closure plan consists of a Part A Dangerous waste Permit Application and a RCRA Closure Plan. An explanation of the Part A Revision (Revision 1) submitted with this document is provided at the beginning of the Part A section. The closure plan consists of 9 chapters and 5 appendices. The chapters cover: introduction; facility description; process information; waste characteristics; groundwater; closure strategy and performance standards; closure activities; postclosure; and references

  5. Studying thermal dehydration of double nickel alkali metal pyrophosphates

    International Nuclear Information System (INIS)

    Bykanova, T.A.; Lavrov, A.V.; AN SSSR, Moscow. Inst. Obshchej i Neorganicheskoj Khimii)

    1978-01-01

    The methods of thermogravimetry, paper chromatography, infrared spectroscopy and X-ray phase analysis were used in studying the process of thermal dehydration of pyrophosphates of the M 2 Ni 3 (P 2 O 7 ) 2 xnH 2 O type (where n=6, 10; M=Na, K, Rb, Cs, NH 4 ). The dehydration of Cs 2 Ni 3 (P 2 O 7 ) 2 x10H 2 O proceeds in a single stage (endothermal effect at 210 deg C). The exothermal effects at 730 and 690 deg C correspond to the crystallization of the amorphous dehydration products. It has been established that binary pyrophosphates of nickel with alkali metals decompose when heated into Ni 3 (PO 4 ) 2 +MPO 4

  6. A study of fluid alkali metals in the critical region

    Energy Technology Data Exchange (ETDEWEB)

    Balasubramanian, R. [Department of Physics, Kongu Engineering College, Perundurai, Erode 638 052, Tamil Nadu (India)]. E-mail: drrbala@yahoo.com

    2006-05-31

    On the basis of the generalised van der Waals equation of state, Riedel's thermodynamic similarity parameter, a measure of the temperature dependence of vapour pressure in the critical region is determined for caesium, rubidium and potassium. This generalised equation differs from the known van der Waals equation of state by the modified expression for molecular pressure. The results of determination of Riedel's thermodynamic similarity parameter of caesium, rubidium and potassium are in good agreement with experimental data. Moreover, the given generalised van der Waals equation of state yields a better fit with experimental data on Riedel's thermodynamic similarity parameter for fluid alkali metals when compared with other correlations such as Van Ness and Abbott equation, Pitzer expansion, Pitzer acentric factor correlation, modified Rackett technique, Lee-Kesler vapour pressure relation and Clausius-Clayperon equation.

  7. 3718-F Alkali Metal Treatment and Storage Facility Closure Plan

    Energy Technology Data Exchange (ETDEWEB)

    None

    1991-12-01

    Since 1987, Westinghouse Hanford Company has been a major contractor to the U.S. Department of Energy-Richland Operations Office and has served as co-operator of the 3718-F Alkali Metal Treatment and Storage Facility, the waste management unit addressed in this closure plan. The closure plan consists of a Part A Dangerous waste Permit Application and a RCRA Closure Plan. An explanation of the Part A Revision (Revision 1) submitted with this document is provided at the beginning of the Part A section. The closure plan consists of 9 chapters and 5 appendices. The chapters cover: introduction; facility description; process information; waste characteristics; groundwater; closure strategy and performance standards; closure activities; postclosure; and references.

  8. Density dependence of the diffusion coefficient of alkali metals

    International Nuclear Information System (INIS)

    Adebayo, G.A.; Anusionwu, B.C.; Njah, A.N.; Mathew, B.; Fabamise, O.A.T.

    2004-06-01

    The effect of density on transport coefficients of liquid Li, Na and K at high temperatures using the method of Molecular Dynamics simulation has been studied. Simulation of these liquid alkali metals were carried out with 800 particles in simulation boxes with periodic boundary conditions imposed. In order to test the reliability of the interatomic potential used in the calculations, experimental data on the structural properties were compared with calculated results. The calculations showed a linear relationship between the density and the diffusion coefficient in all the systems investigated except in lithium, where, due to the small size of the atom, standard molecular dynamics simulation method may not be appropriate for calculating the properties of interest. (author)

  9. Surface free energy of alkali and transition metal nanoparticles

    International Nuclear Information System (INIS)

    Aqra, Fathi; Ayyad, Ahmed

    2014-01-01

    Graphical abstract: Size dependent surface free energy of spherical, cubic and disk Au nanoparticles. - Highlights: • A model to account for the surface free energy of metallic nanoparticles is described. • The model requires only the cohesive energy of the nanoparticle. • The surface free energy of a number of metallic nanoparticles has been calculated, and the obtained values agree well with existing data. • Surface energy falls down very fast when the number of atoms is less than hundred. • The model is applicable to any metallic nanoparticle. - Abstract: This paper addresses an interesting issue on the surface free energy of metallic nanoparticles as compared to the bulk material. Starting from a previously reported equation, a theoretical model, that involves a specific term for calculating the cohesive energy of nanoparticle, is established in a view to describe the behavior of surface free energy of metallic nanoparticles (using different shapes of particle: sphere, cube and disc). The results indicate that the behavior of surface energy is very appropriate for spherical nanoparticle, and thus, it is the most realistic shape of a nanoparticle. The surface energy of copper, silver, gold, platinum, tungsten, molybdenum, tantalum, paladium and alkali metallic nanoparticles is only prominent in the nanoscale size, and it decreases with the decrease of nanoparticle size. Thus, the surface free energy plays a more important role in determining the properties of nanoparticles than in bulk materials. It differs from shape to another, and falls down as the number of atoms (nanoparticle size) decreases. In the case of spherical nanoparticles, the onset of the sharp decrease in surface energy is observed at about 110 atom. A decrease of 16% and 45% in surface energy is found by moving from bulk to 110 atom and from bulk to 5 atom, respectively. The predictions are consistent with the reported data

  10. Dansyl - Substituted Aza Crown Ethers: Complexation with Alkali, Alkaline Earth Metal Ions and Ammonium

    Science.gov (United States)

    Deiab, Shihab; Archibong, Edikan; Tasheva, Donka; Mochona, Bereket; Gangapuram, Madhavi; Redda, Kinfe

    2011-01-01

    The present study investigates the binding properties of four dansyl substituted aza-crown ethers with alkali, alkaline earth metal ions and ammonium. The influence of the solvent polarity and protonation on the photophysical properties of the compounds was studied by UV/Vis and fluorescence methods. The host species caused only slight changes on the absorption spectra of the ligands. The fluorescence changes were more pronounced and concentration dependent thus allowing to calculate the binding constants of the process. The most stable complex under our working conditions was the one between Ba2+ and DNS18C6. PMID:21738561

  11. Process for the recovery of alkali metal salts from aqueous solutions thereof

    International Nuclear Information System (INIS)

    Vitner, J.

    1984-01-01

    In an integrated process for the recovery of alkakli metal phenates and carboxylates from aqueous solutions thereof, the aqueous solution is spray dried and the drying gas stream is contacted with an aqueous alkali metal salt solution which dissolves the particles of the alkali metal salt that were entrained in the drying gas stream. The salt-free inert gas stream is then dried, heated, and returned to the spray dryer

  12. Mechanisms and kinetics of electrodeposition of alkali metals on solid and liquid mercury electrodes

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Wenzhe.

    1993-01-01

    Electroreduction of alkali metal ions at mercury is an important area in electrochemistry related to the battery industry. In this work, four major topics were considered: alkali metal/mercury interactions; electrosorption of alkali metal ions on solid mercury; electroreduction of alkali metal/crown ether complexes; and ammonium amalgam formation. The formation of alkali metal-mercury intermetallic compounds was studied on liquid and frozen thin layer mercury electrodes. The stoichiometry of the compounds produced under these conditions was determined using cyclic voltammetry. As expected, formation of a new phase was preceded by nucleation phenomena, which were particularly easy to monitor at solid Hg electrodes. The nucleation kinetics were studied using the chronoamperometric method. At very low temperatures, when the mobility of mercury atoms was restricted, the electrosorption of alkali metal ions on solid mercury electrodes was noted. Subsequent study allowed determination of the electrosorption parameters. The free energy of electrosorption is discussed in terms of interactions between alkali metals and mercury. The effect of crown ethers on the kinetics of alkali metal ion reduction was studied at both standard size and ultramicro-mercury electrodes in nonaqueous solutions using ultrafast cyclic voltammetry and ac voltammetry. The usefulness of ultrafast cyclic voltammetry with ultramicroelectrodes in measurements of the kinetics of amalgam formation was verified in a brief study of cadmium ion reduction. The mechanism of the complex reduction at mercury was analyzed based on the free energy changes before and after the activation state. In addition, the stoichiometry and formation constants of the crown ether/alkali metal complexes were determined using cyclic voltammetry. The mechanism of electroreduction of ammonium ions at mercury electrodes in non-aqueous media was analyzed.

  13. Tuning the electronic structure of graphene through alkali metal and halogen atom intercalation

    Science.gov (United States)

    Ahmad, Sohail; Miró, Pere; Audiffred, Martha; Heine, Thomas

    2018-04-01

    The deposition, intercalation and co-intercalation of heavy alkali metals and light halogens atoms in graphene mono- and bilayers have been studied using first principles density-functional calculations. Both the deposition and the intercalation of alkali metals gives rise to n-type doping due to the formation of M+-C- pairs. The co-intercalation of a 1:1 ratio of alkali metals and halogens derives into the formation of ionic pairs among the intercalated species, unaltering the electronic structure of the layered material.

  14. Effect of thermal annealing on the redistribution of alkali metals in Cu(In,Ga)Se2 solar cells on glass substrate

    Science.gov (United States)

    Kamikawa, Yukiko; Nishinaga, Jiro; Ishizuka, Shogo; Tayagaki, Takeshi; Guthrey, Harvey; Shibata, Hajime; Matsubara, Koji; Niki, Shigeru

    2018-03-01

    The precise control of alkali-metal concentrations in Cu(In,Ga)Se2 (CIGS) solar cells via post deposition treatment (PDT) has recently attracted attention. When PDT is performed at an elevated temperature, an accompanying annealing effect is expected. Here, we investigate how thermal annealing affects the redistribution of alkali metals in CIGS solar cells on glass substrates and the properties of the solar cells. In addition, we investigate the origin of non-homogeneous alkali-metal depth profiles that are typical of CIGS grown using a three-stage process. In particular, we use secondary-ion mass spectrometry measurements of the ion concentration as a function of distance from the CIGS surface to investigate the impact of thermal annealing on the distribution of alkali metals (Na, Ka, and Rb) and constituent elements (Ga and In) in the CIGS absorbers. We find that the depth profiles of the alkali metals strongly reflect the density of sites that tend to accommodate alkali metals, i.e., vacancies. Annealing at elevated temperature caused a redistribution of the alkali metals. The thermal-diffusion kinetics of alkali metals depends strongly on the species involved. We introduced low flux potassium fluoride (KF) to study a side effect of KF-PDT, i.e., Na removal from CIGS, separately from its predominant effects such as surface modification. When sufficient amounts of Na are supplied from the soda lime glass via annealing at an elevated temperature, the negative effect was not apparent. Conversely, when the Na supply was not sufficient, it caused a deterioration of the photovoltaic properties.

  15. Effect of Thermal Annealing on the Redistribution of Alkali Metals in Cu(In,Ga)Se2 Solar Cells on Glass Substrate

    Energy Technology Data Exchange (ETDEWEB)

    Guthrey, Harvey L [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Kamikawa, Yukiko [National Institute of Advanced Industrial Science and Technology (AIST); Nishinaga, Jiro [National Institute of Advanced Industrial Science and Technology (AIST); Ishizuka, Shogo [National Institute of Advanced Industrial Science and Technology (AIST); Tayagaki, Takeshi [National Institute of Advanced Industrial Science and Technology (AIST); Shibata, Hajime [National Institute of Advanced Industrial Science and Technology (AIST); Matsubara, Koji [National Institute of Advanced Industrial Science and Technology (AIST); Niki, Shigeru [National Institute of Advanced Industrial Science and Technology (AIST)

    2018-03-02

    The precise control of alkali-metal concentrations in Cu(In,Ga)Se2 (CIGS) solar cells via post deposition treatment (PDT) has recently attracted attention. When PDT is performed at an elevated temperature, an accompanying annealing effect is expected. Here, we investigate how thermal annealing affects the redistribution of alkali metals in CIGS solar cells on glass substrates and the properties of the solar cells. In addition, we investigate the origin of non-homogeneous alkali-metal depth profiles that are typical of CIGS grown using a three-stage process. In particular, we use secondary-ion mass spectrometry measurements of the ion concentration as a function of distance from the CIGS surface to investigate the impact of thermal annealing on the distribution of alkali metals (Na, Ka, and Rb) and constituent elements (Ga and In) in the CIGS absorbers. We find that the depth profiles of the alkali metals strongly reflect the density of sites that tend to accommodate alkali metals, i.e., vacancies. Annealing at elevated temperature caused a redistribution of the alkali metals. The thermal-diffusion kinetics of alkali metals depends strongly on the species involved. We introduced low flux potassium fluoride (KF) to study a side effect of KF-PDT, i.e., Na removal from CIGS, separately from its predominant effects such as surface modification. When sufficient amounts of Na are supplied from the soda lime glass via annealing at an elevated temperature, the negative effect was not apparent. Conversely, when the Na supply was not sufficient, it caused a deterioration of the photovoltaic properties.

  16. Method and composition for testing for the presence of an alkali metal

    International Nuclear Information System (INIS)

    Guon, J.

    1981-01-01

    A method and composition for detecting the presence of an alkali metal on the surface of a body such as a metal plate, tank, pipe or the like is provided. The method comprises contacting the surface with a thin film of a liquid composition comprising a light-colored pigment, an acid-base indicator, and a nonionic wetting agent dispersed in a liquid carrier comprising a minor amount of water and a major amount of an organic solvent selected from the group consisting of the lower aliphatic alcohols, ketones and ethers. Any alkali metal present on the surface in elemental form or as an alkali metal hydroxide or alkali metal carbonate will react with the acid-base indicator to produce a contrasting color change in the thin film, which is readily discernible by visual observation or automatic techniques

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

    International Nuclear Information System (INIS)

    Peyghan, Ali Ahmadi; Noei, Maziar

    2014-01-01

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

  18. Screen-printed electrode for alkali-metal thermoelectric converter

    Energy Technology Data Exchange (ETDEWEB)

    Hashimoto, T.; Shibata, K.; Tsuchida, K.; Kato, A. (Kyushu Univ., Fukuoka (Japan). Faculty of Engineering)

    1992-06-01

    An alkali-metal thermoelectric converter (AMTEC) is a device for the direct conversion of thermal to electric energy. An AMTEC contains sodium as working fluid and is divided into a high-temperature region (900-1300 K) and a low-temperature region (400-800 K) by [beta]''-alumina solid electrolyte. A high-performance electrode for an AMTEC must have good electrical conductivity, make a strong physical bond with low contact resistance to [beta]''-alumina, be highly permeable to sodium vapour, resist corrosion by sodium and have a low rate of evaporation at the operating temperature of the AMTEC. We have previously investigated the interaction of nitrides and carbides of some transition-metals (groups IV, V and VI) with [beta],[beta]''-alumina or liquid sodium (about 700degC) with the objective of finding a better electrode material for an AMTEC. The results showed that TiN, TiC, NbN and NbC were good candidates for AMTEC electrodes. We also showed that porous TiN film with low resistance can be prepared by the screen-printing method. In the present work the porous NbN film was prepared by the screen-printing method and the performance as the electrode of an AMTEC was examined. For comparison, the performance of TiN and Mo electrodes prepared by the screen-printing method was also examined. (author).

  19. Electron core ionization in compressed alkali metal cesium

    Science.gov (United States)

    Degtyareva, V. F.

    2018-01-01

    Elements of groups I and II in the periodic table have valence electrons of s-type and are usually considered as simple metals. Crystal structures of these elements at ambient pressure are close-packed and high-symmetry of bcc and fcc-types, defined by electrostatic (Madelung) energy. Diverse structures were found under high pressure with decrease of the coordination number, packing fraction and symmetry. Formation of complex structures can be understood within the model of Fermi sphere-Brillouin zone interactions and supported by Hume-Rothery arguments. With the volume decrease there is a gain of band structure energy accompanied by a formation of many-faced Brillouin zone polyhedra. Under compression to less than a half of the initial volume the interatomic distances become close to or smaller than the ionic radius which should lead to the electron core ionization. At strong compression it is necessary to assume that for alkali metals the valence electron band overlaps with the upper core electrons, which increases the valence electron count under compression.

  20. Effect of charging on silicene with alkali metal atom adsorption

    Science.gov (United States)

    Li, Manman; Li, Zhongyao; Gong, Shi-Jing

    2018-02-01

    Based on first-principles calculations, we studied the effects of charging on the structure, binding energy and electronic properties of silicene with alkali metal (AM) atom (Li, Na or K) adsorption. In AMSi2, electron doping enlarges the lattice constant of silicene, while the influence of hole doping is non-monotonic. In AMSi8, the lattice constant increases/decreases almost linearly with the increase in electron/hole doping. In addition, the AM-Si vertical distance can be greatly enlarged by excessive hole doping in both AMSi2 and AMSi8 systems. When the hole doping is as large as  +e per unit cell, both AMSi2 and AMSi8 can be transformed from metal to semiconductor. However, the binding energy would be negative in the AM+ Si2 semiconductor. It suggests AM+ Si2 is unstable in this case. In addition, the electron doping and the AM-Si vertical distance would greatly influence the band gap of silicene in LiSi8 and NaSi8, while the band gap in KSi8 is relatively stable. Therefore, KSi8 may be a more practicable material in nanotechnology.

  1. (abstract) Experimental and Modeling Studies of the Exchange Current at the Alkali Beta'-Alumina/Porous Electrode/Alkali Metal Vapor Three Phase Boundary

    Science.gov (United States)

    Williams, R. M.; Jeffries-Nakamura, B.; Ryan, M. A.; Underwood, M. L.; O'Connor, D.; Kikkert, S.

    1993-01-01

    The microscopic mechanism of the alkali ion-electron recombination reaction at the three phase boundary zone formed by a porous metal electrode in the alkali vapor on the surface of an alkali beta'-alumina solid electrolyte (BASE) ceramic has been studied by comparison of the expected rates for the three simplest reaction mechanisms with known temperature dependent rate data; and the physical parameters of typical porous metal electrode/BASE/alkali metal vapor reaction zones. The three simplest reactions are tunneling of electrons from the alkali coated electrode to a surface bound alkali metal ion; emission of an electron from the electrode with subsequent capture by a surface bound alkali metal ion; and thermal emission of an alkali cation from the BASE and its capture on the porous metal electrode surface where it may recombine with an electron. Only the first reaction adequately accounts for both the high observed rate and its temperature dependence. New results include crude modeling of simple, one step, three phase, solid/solid/gas electrochemical reaction.

  2. Is Electronegativity a Useful Descriptor for the 'Pseudo-Alkali-Metal' NH4?

    International Nuclear Information System (INIS)

    Whiteside, Alexander; Xantheas, Sotiris S.; Gutowski, Maciej S.

    2011-01-01

    Molecular ions in the form of 'pseudo-atoms' are common structural motifs in chemistry, with properties that are transferrable between different compounds. We have determined the electronegativity of the 'pseudo-alkali metal' ammonium (NH4) and evaluated its reliability as a descriptor in comparison to the electronegativities of the alkali metals. The computed properties of its binary complexes with astatine and of selected borohydrides confirm the similarity of NH4 to the alkali metal atoms, although the electronegativity of NH4 is relatively large in comparison to its cationic radius. We paid particular attention to the molecular properties of ammonium (angular anisotropy, geometric relaxation, and reactivity), which can cause deviations from the behaviour expected of a conceptual 'true alkali metal' with this electronegativity. These deviations allow for the discrimination of effects associated with the polyatomic nature of NH4.

  3. Chemistry and physics at liquid alkali metal/solid metal interfaces

    International Nuclear Information System (INIS)

    Barker, M.G.

    1977-01-01

    This paper describes the chemistry of processes which take place at the interface between liquid alkali metals and solid metal surfaces. A brief review of wetting data for liquid sodium is given and the significance of critical wetting temperatures discussed on the basis of an oxide-film reduction mechanism. The reactions of metal oxides with liquid metals are outlined and a correlation with wetting data established. The transfer of dissolved species from the liquid metal across the interface to form solid phases on the solid metal surface is well recognised. The principal features of such processes are described and a simple thermodynamic explanation is outlined. The reverse process, the removal of solid material into solution, is also considered. (author)

  4. Solution enthalpies of alkali metal halides in water and heavy water mixtures with dimethyl sulfoxide

    International Nuclear Information System (INIS)

    Egorov, G.I.

    1994-01-01

    Solution enthalpies of CsF, LiCl, NaI, CsI and some other halides of alkali metals and tetrabutylammonium have been measured by the method of calorimetry. Standard solution enthalpies of all alkali metals (except rubidium) halides in water and heavy water mixtures with dimethylsulfoxide at 298.15 K have been calculated. Isotopic effects in solvation enthalpy of the electrolytes mentioned in aqueous solutions of dimethylsulfoxide have been discussed. 29 refs., 2 figs., 4 tabs

  5. Volume dependence of the melting temperature for alkali metals with Debye's model

    International Nuclear Information System (INIS)

    Soma, T.; Kagaya, H.M.; Nishigaki, M.

    1983-01-01

    Using the volume dependence of the Grueneisen constant at higher temperatures, the volume effect on the melting temperature of alkali metals is studied by Lindeman's melting law and Debye's model. The obtained melting curve increases as a function of the compressed volume and shows the maximum of the melting point at the characteristic volume. The resultant data are qualitatively in agreement with the observed tendency for alkali metals. (author)

  6. Wigner Distribution Functions as a Tool for Studying Gas Phase Alkali Metal Plus Noble Gas Collisions

    Science.gov (United States)

    2014-03-27

    WIGNER DISTRIBUTION FUNCTIONS AS A TOOL FOR STUDYING GAS PHASE ALKALI METAL PLUS NOBLE GAS COLLISIONS THESIS Keith A. Wyman, Second Lieutenant, USAF...the U.S. Government and is not subject to copyright protection in the United States. AFIT-ENP-14-M-39 WIGNER DISTRIBUTION FUNCTIONS AS A TOOL FOR...APPROVED FOR PUBLIC RELEASE; DISTRIBUTION UNLIMITED AFIT-ENP-14-M-39 WIGNER DISTRIBUTION FUNCTIONS AS A TOOL FOR STUDYING GAS PHASE ALKALI METAL PLUS

  7. In situ formation of coal gasification catalysts from low cost alkali metal salts

    Science.gov (United States)

    Wood, Bernard J.; Brittain, Robert D.; Sancier, Kenneth M.

    1985-01-01

    A carbonaceous material, such as crushed coal, is admixed or impregnated with an inexpensive alkali metal compound, such as sodium chloride, and then pretreated with a stream containing steam at a temperature of 350.degree. to 650.degree. C. to enhance the catalytic activity of the mixture in a subsequent gasification of the mixture. The treatment may result in the transformation of the alkali metal compound into another, more catalytically active, form.

  8. An assessment of the melting, boiling, and critical point data of the alkali metals

    International Nuclear Information System (INIS)

    Ohse, R.W.; Babelot, J.-F.; Magill, J.

    1985-01-01

    The paper reviews the measured melting, boiling and critical point data of alkali metals. A survey of the static heat generation methods for density and pressure-volume-temperature measurements is given. Measured data on the melting and boiling temperatures of lithium, sodium, potassium, rubidium and caesium are summarised. Also measured critical point data for the same five alkali metals are presented, and discussed. (U.K.)

  9. Long-range interactions between excited helium and alkali-metal atoms

    KAUST Repository

    Zhang, J.-Y.; Schwingenschlö gl, Udo; Shi, T.-Y.; Tang, L.-Y.; Yan, Z.-C.

    2012-01-01

    –5% in the coefficient C6, and 1–10% in the coefficients C8 and C10. The dispersion coefficients Cn for the interaction of He(2 1,3S) and He(2 1,3P) with the ground-state alkali-metal atoms and for the interaction of He(2 1,3S) with the alkali-metal atoms in their first

  10. Enhancing Skin Permeation of Biphenylacetic Acid (BPA) Using Salt Formation with Organic and Alkali Metal Bases

    OpenAIRE

    PAWAR, Vijay; NAIK, Prashant; GIRIDHAR, Rajani; YADAV, Mange Ram

    2014-01-01

    In the present study, a series of organic and alkali metal salts of biphenylacetic acid (BPA) have been prepared and evaluated in vitro for percutaneous drug delivery. The physicochemical properties of BPA salts were determined using solubility measurements, DSC, and IR. The DSC thermogram and FTIR spectra confirmed the salt formation with organic and alkali metal bases. Among the series, salts with organic amines (ethanolamine, diethanolamine, triethanol-amine, and diethylamine) had lowered ...

  11. Structural and energetic characteristics of alkali metal hexachlorouranates (5)

    International Nuclear Information System (INIS)

    Kudryashov, V.L.; Suglobova, I.G.; Chirkst, D.Eh.

    1978-01-01

    Structure types and lattice parameters of alkali metal hexachlorouranates (5) have been determined by indicating the X-ray diffraction patterns of polycrystals. α-NaVCl 6 has a cubic structure of the Csub(s)PFsub(6) type; β-NaVCl 6 -trigonal lattice of the LiSbF 6 type; KVCl 6 and RbVCl 6 crystallize in the RbPaF 6 structure type; CsVCl 6 is isomorphous to CsPF 6 . Enthalpy values of hexachlorouranates (5) dissolution in 0.5% FeCl 3 solution and in 2% HCl have been measured and the standard enthalpy values of their formation have been calculated. The energies of crystal lattices and of the uranium-uranium-chlorine bonds have been calculated. When uranium coordination number is 6 the energy of the uranium-chlorine bond is 99.6+-0.5; when this number is 8 the energy equals 101.9+-0.5 kcal/mol

  12. Removal of oxides from alkali metal melts by reductive titration to electrical resistance-change end points

    Science.gov (United States)

    Tsang, Floris Y.

    1980-01-01

    Alkali metal oxides dissolved in alkali metal melts are reduced with soluble metals which are converted to insoluble oxides. The end points of the reduction is detected as an increase in electrical resistance across an alkali metal ion-conductive membrane interposed between the oxide-containing melt and a material capable of accepting the alkali metal ions from the membrane when a difference in electrical potential, of the appropriate polarity, is established across it. The resistance increase results from blocking of the membrane face by ions of the excess reductant metal, to which the membrane is essentially non-conductive.

  13. Alkali Metal Variation and Twisting of the FeNNFe Core in Bridging Diiron Dinitrogen Complexes.

    Science.gov (United States)

    McWilliams, Sean F; Rodgers, Kenton R; Lukat-Rodgers, Gudrun; Mercado, Brandon Q; Grubel, Katarzyna; Holland, Patrick L

    2016-03-21

    Alkali metal cations can interact with Fe-N2 complexes, potentially enhancing back-bonding or influencing the geometry of the iron atom. These influences are relevant to large-scale N2 reduction by iron, such as in the FeMoco of nitrogenase and the alkali-promoted Haber-Bosch process. However, to our knowledge there have been no systematic studies of a large range of alkali metals regarding their influence on transition metal-dinitrogen complexes. In this work, we varied the alkali metal in [alkali cation]2[LFeNNFeL] complexes (L = bulky β-diketiminate ligand) through the size range from Na(+) to K(+), Rb(+), and Cs(+). The FeNNFe cores have similar Fe-N and N-N distances and N-N stretching frequencies despite the drastic change in alkali metal cation size. The two diketiminates twist relative to one another, with larger dihedral angles accommodating the larger cations. In order to explain why the twisting has so little influence on the core, we performed density functional theory calculations on a simplified LFeNNFeL model, which show that the two metals surprisingly do not compete for back-bonding to the same π* orbital of N2, even when the ligand planes are parallel. This diiron system can tolerate distortion of the ligand planes through compensating orbital energy changes, and thus, a range of ligand orientations can give very similar energies.

  14. On the origin of alkali metals in Europa exosphere

    Science.gov (United States)

    Ozgurel, Ozge; Pauzat, Françoise; Ellinger, Yves; Markovits, Alexis; Mousis, Olivier; LCT, LAM

    2016-10-01

    At a time when Europa is considered as a plausible habitat for the development of an early form of life, of particular concern is the origin of neutral sodium and potassium atoms already detected in its exosphere (together with magnesium though in smaller abundance), since these atoms are known to be crucial for building the necessary bricks of prebiotic species. However their origin and history are still poorly understood. The most likely sources could be exogenous and result from the contamination produced by Io's intense volcanism and/or by meteoritic bombardment. These sources could also be endogenous if these volatile elements originate directly from Europa's icy mantle. Here we explore the possibility that neutral sodium and potassium atoms were delivered to the satellite's surface via the upwelling of ices formed in contact with the hidden ocean. These metallic elements would have been transferred as ions to the ocean at early epochs after Europa's formation, by direct contact of water with the rocky core. During Europa's subsequent cooling, the icy layers formed at the top of the ocean would have kept trapped the sodium and potassium, allowing their future progression to the surface and final identification in the exosphere of the satellite. To support this scenario, we have used chemistry numerical models based on first principle periodic density functional theory (DFT). These models are shown to be well adapted to the description of compact ice and are capable to describe the trapping and neutralization of the initial ions in the ice matrix. The process is found relevant for all the elements considered, alkali metals like Na and K, as well as for Mg and probably for Ca, their respective abundances depending essentially of their solubility and chemical capabilities to blend with water ices.

  15. Poly(vinyl chloride) membrane alkali metal ion-selective electrodes based on crystalline synthetic zeolite of the Faujasite type

    International Nuclear Information System (INIS)

    Aghai, H.; Giahi, M.; Arvand Barmehi, M.

    2002-01-01

    Potentiometric electrodes based on the incorporation of zeolite particle in to poly (vinyl chloride) (pvc) membranes are described. The electrodes characteristics are evaluated regarding the response towards alkali ions. Pvc membranes plasticised with dibutyl phthalate and without lipophilic additives (co-exchanger) were used throughout this study. The electrode exhibits a Nernst ion response over the alkali metal cations concentration a range of 1.0x10 - 4 - 1.0 x 10 1 M with a slop of 57.0 ± 0.9 mV per decade of concentration a working ph range (3.0- 9.0) and a fast response time (≤15 c). The selective coefficients for cesium ion as test species with respect to alkaline earth, ammonium and some heavy metal ions were determined. Zeolite-PVC electrodes were applied to the determination of ionic surfactant

  16. DFT study of the interaction between DOTA chelator and competitive alkali metal ions.

    Science.gov (United States)

    Frimpong, E; Skelton, A A; Honarparvar, B

    2017-09-01

    1, 4, 7, 10-tetraazacyclododecane-1, 4, 7, 10-tetracetic acid (DOTA) is an important chelator for radiolabeling of pharmaceuticals. The ability of alkali metals found in the body to complex with DOTA and compete with radio metal ions can alter the radiolabeling process. Non-covalent interactions between DOTA complexed with alkali metals Li + , Na + , K + and Rb + , are investigated with density functional theory using B3LYP and ωB97XD functionals. Conformational possibilities of DOTA were explored with a varying number of carboxylic pendant arms of DOTA in close proximity to the ions. It is found that the case in which four arms of DOTA are interacting with ions is more stable than other conformations. The objective of this study is to explore the electronic structure properties upon complexation of alkali metals Li + Na + , K + and Rb + with a DOTA chelator. Interaction energies, relaxation energies, entropies, Gibbs free energies and enthalpies show that the stability of DOTA, complexed with alkali metals decreases down the group of the periodic table. Implicit water solvation affects the complexation of DOTA-ions leading to decreases in the stability of the complexes. NBO analysis through the natural population charges and the second order perturbation theory, revealed a charge transfer between DOTA and alkali metals. Conceptual DFT-based properties such as HOMO/LUMO energies, ΔE HOMO-LUMO and chemical hardness and softness indicated a decrease in the chemical stability of DOTA-alkali metal complexes down the alkali metal series. This study serves as a guide to researchers in the field of organometallic chelators, particularly, radiopharmaceuticals in finding the efficient optimal match between chelators and various metal ions. Copyright © 2017 Elsevier Inc. All rights reserved.

  17. Steam Gasification of Sawdust Biochar Influenced by Chemical Speciation of Alkali and Alkaline Earth Metallic Species

    Directory of Open Access Journals (Sweden)

    Dongdong Feng

    2018-01-01

    Full Text Available The effect of chemical speciation (H2O/NH4Ac/HCl-soluble and insoluble of alkali and alkaline earth metallic species on the steam gasification of sawdust biochar was investigated in a lab-scale, fixed-bed reactor, with the method of chemical fractionation analysis. The changes in biochar structures and the evolution of biochar reactivity are discussed, with a focus on the contributions of the chemical speciation of alkali and alkaline earth metallic species (AAEMs on the steam gasification of biochar. The results indicate that H2O/NH4Ac/HCl-soluble AAEMs have a significant effect on biochar gasification rates. The release of K occurs mainly in the form of inorganic salts and hydrated ions, while that of Ca occurs mainly as organic ones. The sp3-rich or sp2-sp3 structures and different chemical-speciation AAEMs function together as the preferred active sites during steam gasification. H2O/HCl-soluble AAEMs could promote the transformation of biochar surface functional groups, from ether/alkene C-O-C to carboxylate COO− in biochar, while they may both be improved by NH4Ac-soluble AAEMs. H2O-soluble AAEMs play a crucial catalytic role in biochar reactivity. The effect of NH4Ac-soluble AAEMs is mainly concentrated in the high-conversion stage (biochar conversion >30%, while that of HCl-soluble AAEMs is reflected in the whole activity-testing stage.

  18. Magnetic properties of free alkali and transition metal clusters

    International Nuclear Information System (INIS)

    Heer, W. de; Milani, P.; Chatelain, A.

    1991-01-01

    The Stern-Gerlach deflections of small alkali clusters (N<6) and iron clusters (10< N<500) show that the paramagnetic alkali clusters always have a nondeflecting component, while the iron clusters always deflect in the high field direction. Both of these effects appear to be related to spin relaxation however in the case of alkali clusters it is shown that they are in fact caused by avoided level crossing in the Zeeman diagram. For alkali clusters the relatively weak couplings cause reduced magnetic moments where levels cross. For iron clusters however the total spin is strongly coupled to the molecular framework. Consequently this coupling is responsible for avoided level crossing which ultimately cause the total energy of the cluster to decrease with increasing magnetic field so that the iron clusters will deflect in one direction when introduced in an inhomogeneous magnetic field. Experiment and theory are discussed for both cases. (orig.)

  19. Review of alkali metal and refractory alloy compatibility for Rankine cycle applications

    International Nuclear Information System (INIS)

    DiStefano, J.R.

    1989-01-01

    The principal corrosion mechanisms in refractory metal-alkali systems are dissolution, mass transfer, and impurity reactions. In general, niobium, tantalum, molybdenum, and tungsten have low solubilities in the alkali metals, even to very high temperatures, and static corrosion studies have verified that the systems are basically compatible. Loop studies with niobium and tantalum based alloys do not indicate any serious problems due to temperature gradient mass transfer. Above 1000 K, dissimilar metal mass transfer is noted between the refractory metals and iron or nickel based alloys. The most serious corrosion problems encountered are related to impurity reactions associated with oxygen

  20. Infrared multiple photon dissociation action spectroscopy of alkali metal cation-cyclen complexes: Effects of alkali metal cation size on gas-phase conformation

    NARCIS (Netherlands)

    Austin, C.A.; Chen, Y.; Kaczan, C.M.; Berden, G.; Oomens, J.; Rodgers, M.T.

    2013-01-01

    The gas-phase structures of alkali metal cationized complexes of cyclen (1,4,7,10-tetraazacyclododecane) are examined via infrared multiple photon dissociation (IRMPD) action spectroscopy and electronic structure theory calculations. The measured IRMPD action spectra of four M+(cyclen) complexes are

  1. Alkali Metal Ion Complexes with Phosphates, Nucleotides, Amino Acids, and Related Ligands of Biological Relevance. Their Properties in Solution.

    Science.gov (United States)

    Crea, Francesco; De Stefano, Concetta; Foti, Claudia; Lando, Gabriele; Milea, Demetrio; Sammartano, Silvio

    2016-01-01

    Alkali metal ions play very important roles in all biological systems, some of them are essential for life. Their concentration depends on several physiological factors and is very variable. For example, sodium concentrations in human fluids vary from quite low (e.g., 8.2 mmol dm(-3) in mature maternal milk) to high values (0.14 mol dm(-3) in blood plasma). While many data on the concentration of Na(+) and K(+) in various fluids are available, the information on other alkali metal cations is scarce. Since many vital functions depend on the network of interactions occurring in various biofluids, this chapter reviews their complex formation with phosphates, nucleotides, amino acids, and related ligands of biological relevance. Literature data on this topic are quite rare if compared to other cations. Generally, the stability of alkali metal ion complexes of organic and inorganic ligands is rather low (usually log K  Na(+) > K(+) > Rb(+) > Cs(+). For example, for citrate it is: log K ML = 0.88, 0.80, 0.48, 0.38, and 0.13 at 25 °C and infinite dilution. Some considerations are made on the main aspects related to the difficulties in the determination of weak complexes. The importance of the alkali metal ion complexes was also studied in the light of modelling natural fluids and in the use of these cations as probes for different processes. Some empirical relationships are proposed for the dependence of the stability constants of Na(+) complexes on the ligand charge, as well as for correlations among log K values of NaL, KL or LiL species (L = generic ligand).

  2. Coordination chemistry insights into the role of alkali metal promoters in dinitrogen reduction.

    Science.gov (United States)

    Connor, Gannon P; Holland, Patrick L

    2017-05-15

    The Haber-Bosch process is a major contributor to fixed nitrogen that supports the world's nutritional needs and is one of the largest-scale industrial processes known. It has also served as a testing ground for chemists' understanding of surface chemistry. Thus, it is significant that the most thoroughly developed catalysts for N 2 reduction use potassium as an electronic promoter. In this review, we discuss the literature on alkali metal cations as promoters for N 2 reduction, in the context of the growing knowledge about cooperative interactions between N 2 , transition metals, and alkali metals in coordination compounds. Because the structures and properties are easier to characterize in these compounds, they give useful information on alkali metal interactions with N 2 . Here, we review a variety of interactions, with emphasis on recent work on iron complexes by the authors. Finally, we draw conclusions about the nature of these interactions and areas for future research.

  3. Separation of alkali and alkaline earth metals by polyethers using extraction chromatography

    International Nuclear Information System (INIS)

    Smulek, W.; Lada, W.A.

    1979-01-01

    The separation of alkali and alkaline earth metals by means of an acyclic polyether, 1,13-bis(8-chinolinyl)-1, 4, 7, 10, 13-pentaoxatridecane (CPOD), and cyclic polyethers, benzo-15-crown-5 (BC), dibenzo-18-crown-6 (DBC) and dicyclohexyl-18-crown-6 (DCHC), using extraction chromatography has been studied. The alkali metals can be effectively separated using SCN - as the accompanying ion. For alkaline earth metals, the best results were obtained with ClO 4 - ions. Different elution sequences for these groups were observed using chloroform and/meen=/ sitylene as diluents for the polyethers. (author)

  4. Fluconazole affects the alkali-metal-cation homeostasis and susceptibility to cationic toxic compounds of Candida glabrata.

    Science.gov (United States)

    Elicharova, Hana; Sychrova, Hana

    2014-08-01

    Candida glabrata is a salt-tolerant and fluconazole (FLC)-resistant yeast species. Here, we analyse the contribution of plasma-membrane alkali-metal-cation exporters, a cation/proton antiporter and a cation ATPase to cation homeostasis and the maintenance of membrane potential (ΔΨ). Using a series of single and double mutants lacking CNH1 and/or ENA1 genes we show that the inability to export potassium and toxic alkali-metal cations leads to a slight hyperpolarization of the plasma membrane of C. glabrata cells; this hyperpolarization drives more cations into the cells and affects cation homeostasis. Surprisingly, a much higher hyperpolarization of C. glabrata plasma membrane was produced by incubating cells with subinhibitory concentrations of FLC. FLC treatment resulted in a substantially increased sensitivity of cells to various cationic drugs and toxic cations that are driven into the cell by negative-inside plasma-membrane potential. The effect of the combination of FLC plus cationic drug treatment was enhanced by the malfunction of alkali-metal-cation transporters that contribute to the regulation of membrane potential and cation homeostasis. In summary, we show that the combination of subinhibitory concentrations of FLC and cationic drugs strongly affects the growth of C. glabrata cells. © 2014 The Authors.

  5. Effects of Alkali Concentration and Conching Temperature on Flavour, Hardness and Colour of Chocolate

    Directory of Open Access Journals (Sweden)

    Misnawi Jati

    2006-05-01

    Full Text Available Alkalization is an addition of alkali into cocoa mass to improve product quality in terms of flavour and colour appearance. Sodium bicarbonate and potassium bicarbonate are usual to be added into cocoa cotyledon prior to roasting. A study has been carried out to evaluate the effects of alkalization proceeded upon conching on chocolate sensory properties, hardness and colour. Re sponse Surface Methodology design at alkali concentrations of 1—15 g kg -1 and conching temperature of 40—80 oC have been used in the study. Parameters evaluated were sensory properties, particle size, hardness and colour. Results of the study showed that alkali concentration significantly influenced aroma, overall preference, particle size and hardness; meanwhile, conching temperature showed significant influence on aroma, taste, appearance, overall preference and texture of chocolate. Alkali concentration and conching temperature showed interactively influence on aroma and overall preference. A good quality of chocolate could be found at the alkali concentration of 8—15 g kg -1 and conching temperature of 74—80 oC. Key words: cocoa bean, chocolate, flavour, conching, alkalization, colour, particle size, texture.

  6. THE DISTRIBUTION OF COMMERCIAL CROWN ETHER DC18C6 AND THE EXTRACTION STUDY OF ALKALI AND EARTH ALKALI METALS

    Directory of Open Access Journals (Sweden)

    Bambang Rusdiarso

    2010-06-01

    Full Text Available Distribution of A and B isomers of crown-ether DC18C6 on their organic and water phases (chloride, nitrate and sulphocyanide salts and extraction of alkali and earth alkali metals has been studied. In LiCl 0.1 M environment, lithium extraction could be ignored. The presence of extracted potassium metal may affect the crown ether DC18C6 distribution albeit only a little. In KNO3 0.1 M environment, the distribution coefficient values (d were 6.1 and 10.3 for A and B isomers, respectively ; while in KCl  0.1 M environment the values were 4.9 and 11.8, respectively. In KSCN 0.1 M, d values for A and B isomers were 40.4 and 36.6, respectively, which were higher than the value obtained from both KNO3 and KCl  0.1 M environments. Caesium metal extraction using DC18C6 occurred weakly, up to only 5%. Strontium extraction using DC18C6 achieved better yield than the caesium extraction. The percentage of extraction increased under organic solvent according to the following: toluene (4% < chloroform (28% < TBP (35%.   Keywords: distribution, crown-ether DC18C6, extraction.

  7. Study of defectiveness in orthosilicates of alkali earth metals by the method of radiospectroscopy

    International Nuclear Information System (INIS)

    Bikbau, M.Ya.; Akramov, R.

    1978-01-01

    With a view to investigating the defectiveness of the orthosilicates of alkali-earth metals, the spectra of the electronic paramagnetic resonance of γ-irradiated orthosilicates of Be, Mg, Ca, Sr and Ba have been examined. The spectra are obtained at 77 and 298 K. The maximum concentration and stability of paramagnetic centers is observed on the defects of the crystalline-optical structure of orthosilicates of Sr and Ba, as well as of β-Ca 2 SiO 4 . This is attributed to a great defectiveness of those compounds. On the basis of an analysis of the possible nature of electron and hole paramagnetic centers that are formed in the compounds examined by means of γ-irradiation, it has been suggested to form the electron centers of [M 2+ ]sub(n)sup(e) type. The formation of hole centers has been shown in aluminium used as addition

  8. Separation of hafnium from zirconium in their tetrachloride solution in molten alkali metal chlorides

    Energy Technology Data Exchange (ETDEWEB)

    Salyulev, A B; Kudyakov, V Ya; Smirnov, M V; Moskalenko, N I [AN SSSR, Sverdlovsk. Inst. Ehlektrokhimii

    1984-08-01

    The coefficient of HfCl/sub 4/ and ZrCl/sub 4/ separation in the process of vapour sublimation from their solutions in molten NaCl, KCl, CsCl, NaCl-KCl and NaCl-CsCl equimolar mixtures is found to vary in the series from approximately 1.10 to approximately 1.22 and practically not to depend on the temperature (in the 600-910 deg) range and concentration (2-25 mol.% ZrCl/sub 4/+HfCl/sub 4/). HfCl/sub 4/ and ZrCl/sub 4/ are shown to form almost perfect solutions with each other, which in their turn form imperfect solutions with molten alkali metal chlorides, with the strength of hafnium complex chloride anions increasing higher than that of zirconium in the series from NaCl to CsCl.

  9. Separation of hafnium from zirconium in their tetrachloride solution in molten alkali metal chlorides

    International Nuclear Information System (INIS)

    Salyulev, A.B.; Kudyakov, V.Ya.; Smirnov, M.V.; Moskalenko, N.I.

    1984-01-01

    The coefficient of HfCl 4 and ZrCl 4 separation in the process of vapour sublimation from their solutions in molten NaCl, KCl, CsCl, NaCl-KCl and NaCl-CsCl equimolar mixtures is found to vary in the series from approximately 1.10 to approximately 1.22 and practically not to depend on the temperature (in the 600-910 deg) range and concentration (2-25 mol.% ZrCl 4 +HfCl 4 ). HfCl 4 and ZrCl 4 are shown to form almost perfect solutions with each other, which in their turn form imperfect solutions with molten alkali metal chlorides, with the strength of hafnium complex chloride anions increasing higher than that of zirconium in the series from NaCl to CsCl

  10. Alkali Metal Backup Cooling for Stirling Systems - Experimental Results

    Science.gov (United States)

    Schwendeman, Carl; Tarau, Calin; Anderson, William G.; Cornell, Peggy A.

    2013-01-01

    In a Stirling Radioisotope Power System (RPS), heat must be continuously removed from the General Purpose Heat Source (GPHS) modules to maintain the modules and surrounding insulation at acceptable temperatures. The Stirling convertor normally provides this cooling. If the Stirling convertor stops in the current system, the insulation is designed to spoil, preventing damage to the GPHS at the cost of an early termination of the mission. An alkali-metal Variable Conductance Heat Pipe (VCHP) can be used to passively allow multiple stops and restarts of the Stirling convertor. In a previous NASA SBIR Program, Advanced Cooling Technologies, Inc. (ACT) developed a series of sodium VCHPs as backup cooling systems for Stirling RPS. The operation of these VCHPs was demonstrated using Stirling heater head simulators and GPHS simulators. In the most recent effort, a sodium VCHP with a stainless steel envelope was designed, fabricated and tested at NASA Glenn Research Center (GRC) with a Stirling convertor for two concepts; one for the Advanced Stirling Radioisotope Generator (ASRG) back up cooling system and one for the Long-lived Venus Lander thermal management system. The VCHP is designed to activate and remove heat from the stopped convertor at a 19 degC temperature increase from the nominal vapor temperature. The 19 degC temperature increase from nominal is low enough to avoid risking standard ASRG operation and spoiling of the Multi-Layer Insulation (MLI). In addition, the same backup cooling system can be applied to the Stirling convertor used for the refrigeration system of the Long-lived Venus Lander. The VCHP will allow the refrigeration system to: 1) rest during transit at a lower temperature than nominal; 2) pre-cool the modules to an even lower temperature before the entry in Venus atmosphere; 3) work at nominal temperature on Venus surface; 4) briefly stop multiple times on the Venus surface to allow scientific measurements. This paper presents the experimental

  11. Superconductivity and electrical resistivity in alkali metal doped ...

    Indian Academy of Sciences (India)

    We consider a two-peak model for the phonon density of states to investigate the nature of electron pairing mechanism for superconducting state in fullerides. We first study the intercage interactions between the adjacent C60 cages and expansion of lattice due to the intercalation of alkali atoms based on the spring model to ...

  12. Energy loss spectroscopy study of Si(111)--alkali metal interfaces at low temperatures

    International Nuclear Information System (INIS)

    Avci, R.

    1986-01-01

    Studies are made at approx.150 K under ultrahigh vacuum conditions on a wide range of alkali metal coverages on Si(111)-7 x 7. Negative second-derivative backscattered electron energy loss spectroscopy is used with 100 eV primary electrons. The interaction of the alkali metals with the silicon substrate goes through two stages as a function of alkali coverage: In the initial coverages, for less than approx.0.3 monolayer of alkali atoms, the basic reaction is that of charge transfer from the alkali atoms to the Si surface with a loss peak at approx.3.3 eV associated with the charge transfer states. The second stage of reaction: starting after the depletion of all the Si surface states: falls in a coverage range between approx.0.3 and approx.1 monolayer, in which the formation of a metallic layer with a coverage-dependent loss feature at about 2 eV is observed. At still higher coverages, multiple surface and bulk plasmon excitations and their combinations are dominant. In the overall scattering processes most of the parallel momentum (approx.3 A -1 ) is transferred to the sample during the elastic backscattering from the surface, and all the losses are essentially attributed to the forward inelastic scattering before and/or after the elastic process takes place near the metal/Si interface

  13. A brief history of residual alkali metal destruction development in the UK

    International Nuclear Information System (INIS)

    Fletcher, Brian

    2014-01-01

    The reactors at Dounreay are being decommissioned and there is a need to remove all the residual alkali metal before they can be dismantled. When the Prototype Fast Reactor was shut down work was started to remove the bulk sodium and development of the Water Vapour Nitrogen (WVN) process for the destruction of the residual alkali metal commenced. This development has been ongoing to the present day. Trials began with small amounts of sodium and NaK before moving to larger scale experiments. The development raised a number of issues. As knowledge was built up, the development was expanded to deal with NaK pools in the DFR. Differences in the behaviour of NaK and sodium led to various different processes being developed. This paper presents a brief history of the alkali metal destruction process development within the UK and highlights some of the lessons learnt for future application during reactor decommissioning (authors)

  14. Enhancing Skin Permeation of Biphenylacetic Acid (BPA) Using Salt Formation with Organic and Alkali Metal Bases.

    Science.gov (United States)

    Pawar, Vijay; Naik, Prashant; Giridhar, Rajani; Yadav, Mange Ram

    2015-01-01

    In the present study, a series of organic and alkali metal salts of biphenylacetic acid (BPA) have been prepared and evaluated in vitro for percutaneous drug delivery. The physicochemical properties of BPA salts were determined using solubility measurements, DSC, and IR. The DSC thermogram and FTIR spectra confirmed the salt formation with organic and alkali metal bases. Among the series, salts with organic amines (ethanolamine, diethanolamine, triethanolamine, and diethylamine) had lowered melting points while the alkali metal salt (sodium) had a higher melting point than BPA. The in vitro study showed that salt formation improves the physicochemical properties of BPA, leading to improved permeability through the skin. Amongst all the prepared salts, ethanolamine salt (1b) showed 7.2- and 5.4-fold higher skin permeation than the parent drug at pH 7.4 and 5.0, respectively, using rat skin.

  15. Structural Diversity in Alkali Metal and Alkali Metal Magnesiate Chemistry of the Bulky 2,6-Diisopropyl-N-(trimethylsilyl)anilino Ligand.

    Science.gov (United States)

    Fuentes, M Ángeles; Zabala, Andoni; Kennedy, Alan R; Mulvey, Robert E

    2016-10-10

    Bulky amido ligands are precious in s-block chemistry, since they can implant complementary strong basic and weak nucleophilic properties within compounds. Recent work has shown the pivotal importance of the base structure with enhancement of basicity and extraordinary regioselectivities possible for cyclic alkali metal magnesiates containing mixed n-butyl/amido ligand sets. This work advances alkali metal and alkali metal magnesiate chemistry of the bulky arylsilyl amido ligand [N(SiMe 3 )(Dipp)] - (Dipp=2,6-iPr 2 -C 6 H 3 ). Infinite chain structures of the parent sodium and potassium amides are disclosed, adding to the few known crystallographically characterised unsolvated s-block metal amides. Solvation by N,N,N',N'',N''-pentamethyldiethylenetriamine (PMDETA) or N,N,N',N'-tetramethylethylenediamine (TMEDA) gives molecular variants of the lithium and sodium amides; whereas for potassium, PMDETA gives a molecular structure, TMEDA affords a novel, hemi-solvated infinite chain. Crystal structures of the first magnesiate examples of this amide in [MMg{N(SiMe 3 )(Dipp)} 2 (μ-nBu)] ∞ (M=Na or K) are also revealed, though these breakdown to their homometallic components in donor solvents as revealed through NMR and DOSY studies. © 2016 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

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

    International Nuclear Information System (INIS)

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

    2015-01-01

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

  17. In Situ Measurement of Alkali Metals in an MSW Incinerator Using a Spontaneous Emission Spectrum

    Directory of Open Access Journals (Sweden)

    Weijie Yan

    2017-03-01

    Full Text Available This paper presents experimental investigations of the in situ diagnosis of the alkali metals in the municipal solid waste (MSW flame of an industrial grade incinerator using flame emission spectroscopy. The spectral radiation intensities of the MSW flame were obtained using a spectrometer. A linear polynomial fitting method is proposed to uncouple the continuous spectrum and the characteristic line. Based on spectra processing and a non-gray emissivity model, the flame temperature, emissivity, and intensities of the emission of alkali metals were calculated by means of measuring the spectral radiation intensities of the MSW flame. Experimental results indicate that the MSW flame contains alkali metals, including Na, K, and even Rb, and it demonstrates non-gray characteristics in a wavelength range from 500 nm to 900 nm. Peak intensities of the emission of the alkali metals were found to increase when the primary air was high, and the measured temperature varied in the same way as the primary air. The temperature and peak intensities of the lines of emission of the alkali metals may be used to adjust the primary airflow and to manage the feeding of the MSW to control the alkali metals in the MSW flame. It was found that the peak intensity of the K emission line had a linear relationship with the peak intensity of the Na emission line; this correlation may be attributed to their similar physicochemical characteristics in the MSW. The variation trend of the emissivity of the MSW flame and the oxygen content in the flue gas were almost opposite because the increased oxygen content suppressed soot formation and decreased soot emissivity. These results prove that the flame emission spectroscopy technique is feasible for monitoring combustion in the MSW incinerator in situ.

  18. Ternary Amides Containing Transition Metals for Hydrogen Storage: A Case Study with Alkali Metal Amidozincates.

    Science.gov (United States)

    Cao, Hujun; Richter, Theresia M M; Pistidda, Claudio; Chaudhary, Anna-Lisa; Santoru, Antonio; Gizer, Gökhan; Niewa, Rainer; Chen, Ping; Klassen, Thomas; Dornheim, Martin

    2015-11-01

    The alkali metal amidozincates Li4 [Zn(NH2)4](NH2)2 and K2[Zn(NH2)4] were, to the best of our knowledge, studied for the first time as hydrogen storage media. Compared with the LiNH2-2 LiH system, both Li4 [Zn(NH2)4](NH2)2-12 LiH and K2[Zn(NH2)4]-8 LiH systems showed improved rehydrogenation performance, especially K2[Zn(NH2)4]-8 LiH, which can be fully hydrogenated within 30 s at approximately 230 °C. The absorption properties are stable upon cycling. This work shows that ternary amides containing transition metals have great potential as hydrogen storage materials. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Corrosion-electrochemical behavior of metals in alkali solutions

    International Nuclear Information System (INIS)

    Levin, V.A.; Levina, E.Eh.

    1995-01-01

    Results of an investigation into corrosion-electrochemical behaviour of 12Kh18N10T, 10Kh17N13M2T, 08Kh21N6M2T and 15Kh25T steels, 06KhN28MDT and KhN78T alloys as well as NP-2 nickel in sodium, potassium and lithium hydroxide solutions at 95-180 deg C temperatures are considered. It is ascertained, that anode polarization curves of all metals irrespective of hydroxide nature, concentration, temperature, presence of chloride and chlorate additions, are of identic character. The movement of anode polarization curves in the direction of lower current of hydroxide type in NaOH-KOH-LiOH series, temperature and solution concentration reduction at other equal terms. 12 refs.; 6 figs

  20. Thermochemistry of uranium(VI), arsenic, and alkali metal triple oxides

    International Nuclear Information System (INIS)

    Karyakin, N.V.; Chernorukov, G.N.

    1994-01-01

    The standard enthalpies of reactions of stoichiometric mixtures of potassium dyhydrogen orthoarsenate, uranium(VI) oxide, alkali metal nitrates, and of mixtures of triple oxides with the general formula M I AsUO 6 (M I =Li, Na, K, Rb, and Cs) and potassium nitrate with aqueous solution of hydrofluoric acid were determined an an adiabatic calorimeter at 298.15 K. The standard enthalpies of formation of uranium(VI), arsenic, and alkali metal triple oxides at 298.15 K were calculated form the data obtained. 8 refs., 1 tab

  1. Spin-rotation interaction of alkali-metal endash He-atom pairs

    International Nuclear Information System (INIS)

    Walker, T.G.; Thywissen, J.H.; Happer, W.

    1997-01-01

    A treatment of the spin-rotation coupling between alkali-metal atoms and He atoms is presented. Rotational distortions are accounted for in the wave function using a Coriolis interaction in the rotating frame. The expectation value of the spin-orbit interaction gives values of the spin-rotation coupling that explain previous experimental results. For spin-exchange optical pumping, the results suggest that lighter alkali-metal atoms would be preferred spin-exchange partners, other factors being equal. copyright 1997 The American Physical Society

  2. Ion conducting polymers and polymer blends for alkali metal ion batteries

    Science.gov (United States)

    DeSimone, Joseph M.; Pandya, Ashish; Wong, Dominica; Vitale, Alessandra

    2017-08-29

    Electrolyte compositions for batteries such as lithium ion and lithium air batteries are described. In some embodiments the compositions are liquid compositions comprising (a) a homogeneous solvent system, said solvent system comprising a perfluropolyether (PFPE) and polyethylene oxide (PEO); and (b) an alkali metal salt dissolved in said solvent system. In other embodiments the compositions are solid electrolyte compositions comprising: (a) a solid polymer, said polymer comprising a crosslinked product of a crosslinkable perfluropolyether (PFPE) and a crosslinkable polyethylene oxide (PEO); and (b) an alkali metal ion salt dissolved in said polymer. Batteries containing such compositions as electrolytes are also described.

  3. Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project

    DEFF Research Database (Denmark)

    Hummelshøj, Jens Strabo; Landis, David; Voss, Johannes

    2009-01-01

    We present a computational screening study of ternary metal borohydrides for reversible hydrogen storage based on density functional theory. We investigate the stability and decomposition of alloys containing 1 alkali metal atom, Li, Na, or K (M1); and 1 alkali, alkaline earth or 3d/4d transition...

  4. Thermal behavior of heat-pipe-assisted alkali-metal thermoelectric converters

    Science.gov (United States)

    Lee, Ji-Su; Lee, Wook-Hyun; Chi, Ri-Guang; Chung, Won-Sik; Lee, Kye-Bock; Rhi, Seok-Ho; Jeong, Seon-Yong; Park, Jong-Chan

    2017-11-01

    The alkali-metal thermal-to-electric converter (AMTEC) changes thermal energy directly into electrical energy using alkali metals, such as sodium and potassium, as the working fluid. The AMTEC system primarily consists of beta-alumina solid electrolyte (BASE) tubes, low and high-pressure chambers, an evaporator, and a condenser and work through continuous sodium circulation, similar to conventional heat pipes. When the sodium ions pass through the BASE tubes with ion conductivity, this ion transfer generates electricity. The efficiency of the AMTEC directly depends on the temperature difference between the top and bottom of the system. The optimum design of components of the AMTEC, including the condenser, evaporator, BASE tubes, and artery wick, can improve power output and efficiency. Here, a radiation shield was installed in the low-pressure chamber of the AMTEC and was investigated experimentally and numerically to determine an optimum design for preventing radiation heat loss through the condenser and the wall of AMTEC container. A computational fluid dynamics (CFD) simulation was carried out to decide the optimum size of the low-pressure chamber. The most suitable height and diameter of the chamber were 270 mm and 180 mm, respectively, with eight BASE tubes, which were 150 mm high, 25 mm in diameter, and 105 mm in concentric diameter. Increasing the temperature ratio ( T Cond /T B ) led to high power output. The minimum dimensionless value (0.4611) for temperature ( T Cond /T B ) appeared when the radiation shield was made of 500-mesh nickel. Simulation results for the best position and shape for the radiation shield, revealed that maximum power was generated when a stainless steel shield was installed in between the BASE tubes and condenser.

  5. Secondary cell with orthorhombic alkali metal/manganese oxide phase active cathode material

    Science.gov (United States)

    Doeff, Marca M.; Peng, Marcus Y.; Ma, Yanping; Visco, Steven J.; DeJonghe, Lutgard C.

    1996-01-01

    An alkali metal manganese oxide secondary cell is disclosed which can provide a high rate of discharge, good cycling capabilities, good stability of the cathode material, high specific energy (energy per unit of weight) and high energy density (energy per unit volume). The active material in the anode is an alkali metal and the active material in the cathode comprises an orthorhombic alkali metal manganese oxide which undergoes intercalation and deintercalation without a change in phase, resulting in a substantially linear change in voltage with change in the state of charge of the cell. The active material in the cathode is an orthorhombic structure having the formula M.sub.x Z.sub.y Mn.sub.(1-y) O.sub.2, where M is an alkali metal; Z is a metal capable of substituting for manganese in the orthorhombic structure such as iron, cobalt or titanium; x ranges from about 0.2 in the fully charged state to about 0.75 in the fully discharged state, and y ranges from 0 to 60 atomic %. Preferably, the cell is constructed with a solid electrolyte, but a liquid or gelatinous electrolyte may also be used in the cell.

  6. Graphite-based detectors of alkali metals for nuclear power plants

    International Nuclear Information System (INIS)

    Kalandarishvili, A.G.; Kuchukhidze, V.A.; Sordiya, T.D.; Shartava, Sh.Sh.; Stepennov, B.S.

    1993-01-01

    The coolants most commonly used in today's fast reactors are alkali metals or their alloys. A major problem in nuclear plant design is leakproofing of the liquid-metal cooling system, and many leak detection methods and safety specifications have been developed as a result. Whatever the safety standards adopted for nuclear plants in different countries, they all rely on the basic fact that control of the contamination and radiation hazards involved requires reliable monitoring equipment. Results are presented of trials with some leak detectors for the alkali-metal circuits of nuclear reactors. The principal component affecting the detector performance is the sensing element. In the detectors graphite was employed, whose laminar structure enables it to absorb efficiently alkali-metal vapors at high temperatures (320--500 K). This produces a continuous series of alkali-metal-graphite solid solutions with distinct electrical, thermal, and other physical properties. The principle of operation of the detectors resides in the characteristic reactions of the metal-graphite system. One detector type uses the change of electrical conductivity of the graphite-film sensor when it is exposed to alkali-metal vapor. In order to minimize the effect of temperature on the resistance the authors prepared composite layers of graphite intercalated with a donor impurity (cesium or barium), and a graphite-nickel material. The addition of a small percentage of cesium, barium, or nickel produces a material whose temperature coefficient of resistance is nearly zero. Used as a sensing element, such a material can eliminate the need for thermostatic control of the detector

  7. Thermodynamic and kinetic analysis of solid-phase interaction of alkali metal carbonates with arsenic pentoxide

    International Nuclear Information System (INIS)

    Pashinkin, A.S.; Buketov, E.A.; Isabaeva, S.M.; Kasenov, B.K.

    1985-01-01

    The thermodynamic analysis of solid-phase reactions of alkali metal carbonates with arsenic pentoxide showing the possibility of formation of all arsenates at a higher than the room temperature is performed. Energetically most advantageous is formation of meta-arsenates. It is shown that temperature increase favours the reaction process. By Gibbs standard energy decrease the reactions form the Li>Na>K>Rb>Cs series. On the base of calculation data linear dependence of Gibbs standard energy in reactions on the atomic number of alkali metalis established. By the continuous weighing method the kinetics of interaction of alkali metal carbonates with arsenic pentoxide under isothermal conditions in the 450-500 deg C range is studied. Studies is the dependence of apparent energy of interaction of carbonates wih As 2 0 5 an atomic parameters of al

  8. Effect of Alkali Concentration on Fly Ash Geopolymers

    Science.gov (United States)

    Fatimah Azzahran Abdullah, Siti; Yun-Ming, Liew; Bakri, Mohd Mustafa Al; Cheng-Yong, Heah; Zulkifly, Khairunnisa; Hussin, Kamarudin

    2018-03-01

    This paper presents the effect of NaOH concentration on fly ash geopolymers with compressive up to 56 MPa at 12M. The physical and mechanical on fly ash geopolymer are investigated. Test results show that the compressive strength result complied with bulk density result whereby the higher the bulk density, the higher the strength. Thus, the lower water absorption and porosity due to the increasing of NaOH concentration.

  9. Thermochemistry of the complex oxides of uranium, vanadium, and alkali metals

    International Nuclear Information System (INIS)

    Karyakin, N.V.; Chernorukov, N.G.; Suleimanov, E.V.; Kharyushina, E.A.

    1992-01-01

    The standard enthalpies of the formation at T 298.15 K of complex oxides of uranium(VI), vanadium(V) and alkali metals with the general formula M 1 VUO 6 where M 1 = Na, K, Rb, and Cs, were calculated from the results of calorimetric experiments and from published data. 8 refs., 1 tab

  10. Neutron scattering investigation of layer-bending modes in alkali-metal--graphite intercalation compounds

    International Nuclear Information System (INIS)

    Zabel, H.; Kamitakahara, W.A.; Nicklow, R.M.

    1982-01-01

    Phonon dispersion curves for low-frequency transverse modes propagating in the basal plane have been measured in the alkali-metal--graphite intercalation compounds KC 8 , CsC 8 , KC 24 , and RbC 24 by means of neutron spectroscopy. The acoustic branches show an almost quadratic dispersion relation at small q, characteristic of strongly layered materials. The optical branches of stage-1 compounds can be classified as either graphitelike branches showing dispersion, or as almost dispersionless alkali-metal-like modes. Macroscopic shear constants C 44 and layer-bending moduli have been obtained for the intercalation compounds by analyzing the data in terms of a simple semicontinuum model. In stage-2 compounds, a dramatic softening of the shear constant by about a factor of 8 compared with pure graphite has been observed. Low-temperature results on KC 24 indicate the opening of a frequency gap near the alkali-metal Brillouin-zone boundary, possibly due to the formation of the alkali-metal superstructure

  11. Analysis of the Alkali Metal Diatomic Spectra; Using molecular beams and ultracold molecules

    Science.gov (United States)

    Kim, Jin-Tae

    2014-12-01

    This ebook illustrates the complementarity of molecular beam (MB) spectra and ultracold molecule (UM) spectra in unraveling the complex electronic spectra of diatomic alkali metal molecules, using KRb as a prime example. Researchers interested in molecular spectroscopy, whether physicist, chemist, or engineer, may find this ebook helpful and may be able to apply similar ideas to their molecules of interest.

  12. Oxygen production by molten alkali metal salts using multiple absorption-desorption cycles

    Science.gov (United States)

    Cassano, Anthony A.

    1985-01-01

    A continuous chemical air separation is performed wherein oxygen is recovered with a molten alkali metal salt oxygen acceptor in a series of absorption zones which are connected to a plurality of desorption zones operated in separate parallel cycles with the absorption zones. A greater recovery of high pressure oxygen is achieved at reduced power requirements and capital costs.

  13. Long-range interactions between excited helium and alkali-metal atoms

    KAUST Repository

    Zhang, J.-Y.

    2012-12-03

    The dispersion coefficients for the long-range interaction of the first four excited states of He, i.e., He(2 1,3S) and He(2 1,3P), with the low-lying states of the alkali-metal atoms Li, Na, K, and Rb are calculated by summing over the reduced matrix elements of the multipole transition operators. For the interaction between He and Li the uncertainty of the calculations is 0.1–0.5%. For interactions with other alkali-metal atoms the uncertainty is 1–3% in the coefficient C5, 1–5% in the coefficient C6, and 1–10% in the coefficients C8 and C10. The dispersion coefficients Cn for the interaction of He(2 1,3S) and He(2 1,3P) with the ground-state alkali-metal atoms and for the interaction of He(2 1,3S) with the alkali-metal atoms in their first 2P states are presented in this Brief Report. The coefficients for other pairs of atomic states are listed in the Supplemental Material.

  14. Oxygen production by molten alkali metal salts using multiple absorption-desorption cycles

    Science.gov (United States)

    Cassano, A.A.

    1985-07-02

    A continuous chemical air separation is performed wherein oxygen is recovered with a molten alkali metal salt oxygen acceptor in a series of absorption zones which are connected to a plurality of desorption zones operated in separate parallel cycles with the absorption zones. A greater recovery of high pressure oxygen is achieved at reduced power requirements and capital costs. 3 figs.

  15. Theoretical evaluation on selective adsorption characteristics of alkali metal-based sorbents for gaseous oxidized mercury.

    Science.gov (United States)

    Tang, Hongjian; Duan, Yufeng; Zhu, Chun; Cai, Tianyi; Li, Chunfeng; Cai, Liang

    2017-10-01

    Alkali metal-based sorbents are potential for oxidized mercury (Hg 2+ ) selective adsorption but show hardly effect to elemental mercury (Hg 0 ) in flue gas. Density functional theory (DFT) was employed to investigate the Hg 0 and HgCl 2 adsorption mechanism over alkali metal-based sorbents, including calcium oxide (CaO), magnesium oxide (MgO), potassium chloride (KCl) and sodium chloride (NaCl). Hg 0 was found to weakly interact with CaO (001), MgO (001), KCl (001) and NaCl (001) surfaces while HgCl 2 was effectively adsorbed on top-O and top-Cl sites. Charge transfer and bond population were calculated to discuss the covalency and ionicity of HgCl 2 bonding with the adsorption sites. The partial density of states (PDOS) analysis manifests that HgCl 2 strongly interacts with surface sites through the orbital hybridizations between Hg and top O or Cl. Frontier molecular orbital (FMO) energy and Mulliken electronegativity are introduced as the quantitative criteria to evaluate the reactivity of mercury species and alkali metal-based sorbents. HgCl 2 is identified as a Lewis acid and more reactive than Hg 0 . The Lewis basicity of the four alkali metal-based sorbents is predicted as the increasing order: NaCl < MgO < KCl < CaO, in consistence with the trend of HgCl 2 adsorption energies. Copyright © 2017 Elsevier Ltd. All rights reserved.

  16. An assessment of the melting, boiling, and critical point data of the alkali metals

    International Nuclear Information System (INIS)

    Ohse, R.W.; Babelot, J.F.; Magill, J.

    1985-01-01

    The measured melting, boiling and critical point data of the alkali metals are reviewed. Emphasis has been given to the assessment of the critical point data. The main experimental techniques for measurements in the critical region are described. The selected data are given. Best estimates of the critical constants of lithium are given. (author)

  17. Electric conductivity of alkali metal vapors in the region of critical point

    International Nuclear Information System (INIS)

    Likal'ter, A.A.

    1982-01-01

    A behaviour of alkali metal conductivity in the vicinity of a critical point has been analyzed on the base of deVeloped representations on a vapor state. A phenomenological conductivity theory has been developed, which is in a good agreement with experimental data obtained

  18. Alkali Metal Cation Affinities of Anionic Main Group-Element Hydrides Across the Periodic Table

    NARCIS (Netherlands)

    Boughlala, Zakaria; Fonseca Guerra, Célia; Bickelhaupt, F. Matthias

    2017-01-01

    We have carried out an extensive exploration of gas-phase alkali metal cation affinities (AMCA) of archetypal anionic bases across the periodic system using relativistic density functional theory at ZORA-BP86/QZ4P//ZORA-BP86/TZ2P. AMCA values of all bases were computed for the lithium, sodium,

  19. Van der Waals coefficients for alkali metal clusters and their size

    Indian Academy of Sciences (India)

    In this paper we employ the hydrodynamic formulation of time-dependent density functional theory to obtain the van der Waals coefficients 6 and 8 of alkali metal clusters of various sizes including very large clusters. Such calculations become computationally very demanding in the orbital-based Kohn-Sham formalism, ...

  20. Ultrafast electron dynamics at alkali/ice structures adsorbed on a metal surface

    International Nuclear Information System (INIS)

    Meyer, Michael

    2011-01-01

    The goal of this work is to study the interaction between excess electrons in water ice structures adsorbed on metal surfaces and other charged or neutral species, like alkali ions, or chemically reactive molecules, like chlorofluorocarbons (CFC), respectively. The excess electrons in the ice can interact with the ions directly or indirectly via the hydrogen bonded water molecules. In both cases the presence of the alkali influences the population, localization, and lifetime of electronic states of excess electrons in the ice adlayer. These properties are of great relevance when considering the highly reactive character of the excess electrons, which can mediate chemical reactions by dissociative electron attachment (DEA). The influence of alkali adsorption on electron solvation and transfer dynamics in ice structures is investigated for two types of adsorption configurations using femtosecond time-resolved two-photon photoelectron spectroscopy. In the first system alkali atoms are coadsorbed on top of a wetting amorphous ice film adsorbed on Cu(111). At temperatures between 60 and 100 K alkali adsorption leads to the formation of positively charged alkali ions at the ice/vacuum interface. The interaction between the alkali ions at the surface and the dipole moments of the surrounding water molecules results in a reorientation of the water molecules. As a consequence new electron trapping sites, i.e. at local potential minima, are formed. Photoinjection of excess electrons into these alkali-ion covered amorphous ice layers, results in the trapping of a solvated electron at an alkali-ion/water complex. In contrast to solvation in pure amorphous ice films, where the electrons are located in the bulk of the ice layer, solvated electrons at alkali-ion/water complexes are located at the ice/vacuum interface. They exhibit lifetimes of several picoseconds and show a fast energetic stabilization. With ongoing solvation, i.e. pump-probe time delay, the electron transfer is

  1. A simple alkali-metal and noble gas ion source for SIMS equipments with mass separation of the primary ions

    International Nuclear Information System (INIS)

    Duesterhoeft, H.; Pippig, R.

    1986-01-01

    An alkali-metal ion source working without a store of alkali-metals is described. The alkali-metal ions are produced by evaporation of alkali salts and ionization in a low-voltage arc discharge stabilized with a noble gas plasma or in the case of small alkali-metal ion currents on the base of the well known thermic ionization at a hot tungsten wire. The source is very simple in construction and produces a stable ion current of 0.3 μA for more than 100 h. It is possible to change the ion species in a short time. This source is applicable to all SIMS equipments using mass separation for primary ions. (author)

  2. Release and sorption of alkali metals in coal fired combined cycle power systems; Freisetzung und Einbindung von Alkalimetallverbindungen in kohlebefeuerten Kombikraftwerken

    Energy Technology Data Exchange (ETDEWEB)

    Mueller, Michael

    2009-07-01

    Coal fired combined cycle power systems will be a sufficient way to increase the efficiency of coal combustion. However, combined cycle power systems require a reliable hot gas cleanup. Especially alkali metals, such as sodium and potassium, can lead to hot corrosion of the gas turbine blading if they condensate as sulphates. The actual work deals with the release and sorption of alkali metals in coal fired combined cycle power systems. The influence of coal composition, temperature and pressure on the release of alkali species in coal combustion was investigated and the relevant release mechanisms identified. Alumosilicate sorbents have been found that reduce the alkali concentration in the hot flue gas of the Circulating Pressurized Fluidized Bed Combustion 2{sup nd} Generation (CPFBC 2{sup nd} Gen.) at 750 C to values sufficient for use in a gas turbine. Accordingly, alumosilicate sorbents working at 1400 C have been found for the Pressurized Pulverized Coal Combustion (PPCC). The sorption mechanisms have been identified. Thermodynamic calculations were performed to upscale the results of the laboratory experiments to conditions prevailing in power systems. According to these calculations, there is no risk of hot corrosion in both processes. Furthermore, thermodynamic calculations were performed to investigate the behaviour of alkali metals in an IGCC with integrated hot gas cleanup and H{sub 2} membrane for CO{sub 2} sequestration. (orig.)

  3. Model for H-, D- production by hydrogen backscattering from alkali and alkali/transition-metal surfaces

    International Nuclear Information System (INIS)

    Hiskes, J.R.; Schneider, P.J.

    1980-01-01

    A model for H - , D - production by energetic particles reflecting from metal surfaces is discussed. The model employs the energy and angular distribution data derived from the Marlowe code. The model is applied to particles incident normally upon Cs, Ni, and Cs/Ni surfaces

  4. Low temperature wetting and cleanup of alkali metal-advanced electrical machine systems

    International Nuclear Information System (INIS)

    Gass, W.R.; Witkowski, R.E.; Burrow, G.C.

    1980-01-01

    Advanced homopolar electrical machines employing high electrical current density, liquid metal sliprings for current transfer utilize NaK/sub 78/ (78 w/o potassium, 22 w/o sodium) for the conducting fluid. Experiments have been performed to improve alkali metal/oxide clean-up procedures. Studies have also confirmed chemical and materials compatibility between barium doped NaK/sub 78/ and typical machine structural materials. 4 refs

  5. Tuning aromaticity in trigonal alkaline earth metal clusters and their alkali metal salts.

    Science.gov (United States)

    Jiménez-Halla, J Oscar C; Matito, Eduard; Blancafort, Lluís; Robles, Juvencio; Solà, Miquel

    2009-12-01

    In this work, we analyze the geometry and electronic structure of the [X(n)M(3)](n-2) species (M = Be, Mg, and Ca; X = Li, Na, and K; n = 0, 1, and 2), with special emphasis on the electron delocalization properties and aromaticity of the cyclo-[M(3)](2-) unit. The cyclo-[M(3)](2-) ring is held together through a three-center two-electron bond of sigma-character. Interestingly, the interaction of these small clusters with alkali metals stabilizes the cyclo-[M(3)](2-) ring and leads to a change from sigma-aromaticity in the bound state of the cyclo-[M(3)](2-) to pi-aromaticity in the XM(3) (-) and X(2)M(3) metallic clusters. Our results also show that the aromaticity of the cyclo-[M(3)](2-) unit in the X(2)M(3) metallic clusters depends on the nature of X and M. Moreover, we explored the possibility for tuning the aromaticity by simply moving X perpendicularly to the center of the M(3) ring. The Na(2)Mg(3), Li(2)Mg(3), and X(2)Ca(3) clusters undergo drastic aromaticity alterations when changing the distance from X to the center of the M(3) ring, whereas X(2)Be(3) and K(2)Mg(3) keep its aromaticity relatively constant along this process. (c) 2009 Wiley Periodicals, Inc.

  6. Joining and Performance of Alkali Metal Thermal-to-electric Converter (AMTEC)

    Energy Technology Data Exchange (ETDEWEB)

    Suh, Min-Soo; Lee, Wook-Hyun; Woo, Sang-Kuk [Korea Institute of Energy Research, Daejeon (Korea, Republic of)

    2017-07-15

    The alkali-Metal Thermal-to-electric Converter (AMTEC) is one of the promising static energy conversion technologies for the direct conversion of thermal energy to electrical energy. The advantages over a conventional energy converter are its high theoretical conversion efficiency of 40% and power density of 500 W/kg. The working principle of an AMTEC battery is the electrochemical reaction of the sodium through an ion conducting electrolyte. Sodium ion pass through the hot side of the beta”-alumina solid electrolyte (BASE) primarily as a result of the pressure difference. This pressure difference across the BASE has a significant effect on the overall performance of the AMTEC system. In order to build the high pressure difference across the BASE, hermeticity is required for each joined components for high temperature range of 900°C. The AMTEC battery was manufactured by utilizing robust joining technology of BASE/insulator/metal flange interfaces of the system for both structural and electrical stability. The electrical potential difference between the anode and cathode sides, where the electrons emitted from sodium ionization and recombined into sodium, was characterized as the open-circuit voltage. The efforts of technological improvement were concentrated on a high-power output and conversion efficiency. This paper discusses about the joining and performance of the AMTEC systems.

  7. Study of complex amalgams containing alkali metals by method of broken thermometric titration

    International Nuclear Information System (INIS)

    Filippova, L.M.; Zebreva, A.I.; Espenbetov, A.A.

    1977-01-01

    Complex potassium-cadmium and sodium-cadmium amalgams containing different amounts of the alkali metal nad cadmium have been studied by thermometric titration with mercury. The experiments have been carried out in argon atmosphere at 25 deg C. As evidenced by the titration of sodium-cadmium amalgams, in the range of concentrations studied (Csub(Na)=0.71-2.95, Csub(Cd)=4.38-6.45 g-at/lHg) no solid phase is formed in them. Potassium-cadmium amalgams where the metals content is no higher than their individual solubility in mercury, display, when being mercury-titrated, negative heat effects due to solid phase formation. An estimation is made of the solid phase composition, its solubility in mercury and the heat of dissolution. The solid phase appearing in complex K-Cd amalgams is likely to contain K and Cd in a ratio 1:1 its conventional solubility product is 5.4 g-at/l Hg, and the heat of dissolution in mercury at 25 deg is -21 +-4 kJ/g-at

  8. Adsorption of alkali and alkaline-earth metal atoms on stanene: A first-principles study

    Energy Technology Data Exchange (ETDEWEB)

    Kadioglu, Yelda; Ersan, Fatih [Department of Physics, Adnan Menderes University, 09100 Aydın (Turkey); Gökoğlu, Gökhan [Department of Physics, Karabük University, 78050 Karabük (Turkey); Aktürk, Olcay Üzengi [Department of Electrical & Electronics Engineering, Adnan Menderes University, 09100 Aydın (Turkey); Nanotechnology Application and Research Center, Adnan Menderes University, 09100 Aydın (Turkey); Aktürk, Ethem, E-mail: ethem.akturk@adu.edu.tr [Department of Physics, Adnan Menderes University, 09100 Aydın (Turkey); Nanotechnology Application and Research Center, Adnan Menderes University, 09100 Aydın (Turkey)

    2016-09-01

    This paper presents a study on the adsorption of alkali and alkaline-earth metal atoms on single-layer stanene with different levels of coverage using first-principles plane wave calculations within spin-polarized density functional theory. The most favorable adsorption site for alkali atoms (Li, Na, K) were found to be the hollow site similar to other group IV single-layers, but the case of alkaline-earths on stanene is different from silicene and germanene. Whereas Mg and Ca are bound to stanene at hollow site, the bridge site is found to be energetically favorable for Be adatom. All adsorbed atoms are positively charged due to the charge transfer from adatom to stanene single-layer. The semimetallic bare stanene become metallic except for Be adsorption. The Beryllium adsorption give rise to non-magnetic semiconducting ground state. Our results illustrate that stanene has a reactive and functionalizable surface similar to graphene or silicene. - Highlights: • Alkali and alkaline-earth metal atoms form stronger bonds with stanene compared to other group IV monolayers. • Semi-metallic stanene becomes nonmagnetic metal for Li, Na, K, Mg, and Ca atoms adsorption. • Semi-metallic stanene becomes nonmagnetic semiconductor with 94 meV band gap for Be atom adsorption.

  9. Compression-Driven Enhancement of Electronic Correlations in Simple Alkali Metals

    Science.gov (United States)

    Fabbris, Gilberto; Lim, Jinhyuk; Veiga, Larissa; Haskel, Daniel; Schilling, James

    2015-03-01

    Alkali metals are the best realization of the nearly free electron model. This scenario appears to change dramatically as the alkalis are subjected to extreme pressure, leading to unexpected properties such as the departure from metallic behavior in Li and Na, and the occurrence of remarkable low-symmetry crystal structures in all alkalis. Although the mechanism behind these phase transitions is currently under debate, these are believed to be electronically driven. In this study the high-pressure electronic and structural ground state of Rb and Cs was investigated through low temperature XANES and XRD measurements combined with ab initio calculations. The results indicate that the pressure-induced localization of the conduction band triggers a Peierls-like mechanism, inducing the low symmetry phases. This localization process is evident by the pressure-driven increase in the number of d electrons, which takes place through strong spd hybridization. These experimental results indicate that compression turns the heavy alkali metals into strongly correlated electron systems. Work at Argonne was supported by DOE No. DE-AC02-06CH11357. Research at Washington University was supported by NSF DMR-1104742 and CDAC/DOE/NNSA DE-FC52-08NA28554.

  10. Electronic and structural ground state of heavy alkali metals at high pressure

    Science.gov (United States)

    Fabbris, G.; Lim, J.; Veiga, L. S. I.; Haskel, D.; Schilling, J. S.

    2015-02-01

    Alkali metals display unexpected properties at high pressure, including emergence of low-symmetry crystal structures, which appear to occur due to enhanced electronic correlations among the otherwise nearly free conduction electrons. We investigate the high-pressure electronic and structural ground state of K, Rb, and Cs using x-ray absorption spectroscopy and x-ray diffraction measurements together with a b i n i t i o theoretical calculations. The sequence of phase transitions under pressure observed at low temperature is similar in all three heavy alkalis except for the absence of the o C 84 phase in Cs. Both the experimental and theoretical results point to pressure-enhanced localization of the valence electrons characterized by pseudogap formation near the Fermi level and strong s p d hybridization. Although the crystal structures predicted to host magnetic order in K are not observed, the localization process appears to drive these alkalis closer to a strongly correlated electron state.

  11. Synthesis and Characterization of Novel Ternary and Quaternary Alkali Metal Thiophosphates

    KAUST Repository

    Alahmary, Fatimah S.

    2014-05-01

    The ongoing development of nonlinear optical (NLO) crystals such as coherent mid-IR sources focuses on various classes of materials such as ternary and quaternary metal chalcophosphates. In case of thiophosphates, the connection between PS4-tetrahedral building blocks and metals gives rise to a broad structural variety where approximately one third of all known ternary (A/P/S) and quaternary (A/M/P/S) (A = alkali metal, M = metal) structures are acentric and potential nonlinear optical materials. The molten alkali metal polychalcophosphate fluxes are a well-established method for the synthesis of new ternary and quaternary thiophosphate and selenophosphate compounds. It has been a wide field of study and investigation through the last two decades. Here, the flux method is used for the synthesis of new quaternary phases containing Rb, Ag, P and S. Four new alkali metal thiophosphates, Rb4P2S10, RbAg5(PS4), Rb2AgPS4 and Rb3Ag9(PS4)4, have been synthesized successfully from high purity elements and binary starting materials. The new compounds were characterized by single crystal and powder X-ray diffraction, scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS), ultraviolet-visible (UV-VIS), Raman spectroscopy, thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). These compounds show interesting structural variety and physical properties. The crystal structures feature 3D anionic framework built up of PS4 tetrahedral units and charge balanced by Ag and alkali metal cations. All prepared compounds are semiconductors with band gap between 2.3 eV to 2.6 eV and most of them are thermally stable up to 600ºC.

  12. Structural and Magnetic Diversity in Alkali-Metal Manganate Chemistry: Evaluating Donor and Alkali-Metal Effects in Co-complexation Processes.

    Science.gov (United States)

    Uzelac, Marina; Borilovic, Ivana; Amores, Marco; Cadenbach, Thomas; Kennedy, Alan R; Aromí, Guillem; Hevia, Eva

    2016-03-24

    By exploring co-complexation reactions between the manganese alkyl Mn(CH2SiMe3)2 and the heavier alkali-metal alkyls M(CH2SiMe3) (M=Na, K) in a benzene/hexane solvent mixture and in some cases adding Lewis donors (bidentate TMEDA, 1,4-dioxane, and 1,4-diazabicyclo[2,2,2] octane (DABCO)) has produced a new family of alkali-metal tris(alkyl) manganates. The influences that the alkali metal and the donor solvent impose on the structures and magnetic properties of these ates have been assessed by a combination of X-ray, SQUID magnetization measurements, and EPR spectroscopy. These studies uncover a diverse structural chemistry ranging from discrete monomers [(TMEDA)2 MMn(CH2SiMe3)3] (M=Na, 3; M=K, 4) to dimers [{KMn(CH2SiMe3)3 ⋅C6 H6}2] (2) and [{NaMn(CH2SiMe3)3}2 (dioxane)7] (5); and to more complex supramolecular networks [{NaMn(CH2SiMe3)3}∞] (1) and [{Na2Mn2 (CH2SiMe3)6 (DABCO)2}∞] (7)). Interestingly, the identity of the alkali metal exerts a significant effect in the reactions of 1 and 2 with 1,4-dioxane, as 1 produces coordination adduct 5, while 2 forms heteroleptic [{(dioxane)6K2Mn2 (CH2SiMe3)4(O(CH2)2OCH=CH2)2}∞] (6) containing two alkoxide-vinyl anions resulting from α-metalation and ring opening of dioxane. Compounds 6 and 7, containing two spin carriers, exhibit antiferromagnetic coupling of their S=5/2 moments with varying intensity depending on the nature of the exchange pathways. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. High-pressure phase transition of alkali metal-transition metal deuteride Li2PdD2

    Science.gov (United States)

    Yao, Yansun; Stavrou, Elissaios; Goncharov, Alexander F.; Majumdar, Arnab; Wang, Hui; Prakapenka, Vitali B.; Epshteyn, Albert; Purdy, Andrew P.

    2017-06-01

    A combined theoretical and experimental study of lithium palladium deuteride (Li2PdD2) subjected to pressures up to 50 GPa reveals one structural phase transition near 10 GPa, detected by synchrotron powder x-ray diffraction, and metadynamics simulations. The ambient-pressure tetragonal phase of Li2PdD2 transforms into a monoclinic C2/m phase that is distinct from all known structures of alkali metal-transition metal hydrides/deuterides. The structure of the high-pressure phase was characterized using ab initio computational techniques and from refinement of the powder x-ray diffraction data. In the high-pressure phase, the PdD2 complexes lose molecular integrity and are fused to extended [PdD2]∞ chains. The discovered phase transition and new structure are relevant to the possible hydrogen storage application of Li2PdD2 and alkali metal-transition metal hydrides in general.

  14. On the influence and role of alkali metals on supported and unsupported activated hydrotalcites for CO2 sorption

    NARCIS (Netherlands)

    Meis, N.N.A.H.; Bitter, J.H.; de Jong, K.P.

    2013-01-01

    To increase the CO2 capture capacity of hydrotalcites, the influence of alkali (K, Na) metal carbonate loading of activated supported and unsupported hydrotalcites (HTact) on their CO2 capture properties was investigated. The alkali-loaded supported hydrotalcites adsorb at 523 K, depending on the

  15. Alkali-crown ether complexes at metal surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Thontasen, Nicha; Deng, Zhitao; Rauschenbach, Stephan [Max Planck Institute for Solid State Research, Stuttgart (Germany); Levita, Giacomo [University of Trieste, Trieste (Italy); Malinowski, Nikola [Max Planck Institute for Solid State Research, Stuttgart (Germany); Bulgarian Academy of Sciences, Sofia (Bulgaria); Kern, Klaus [Max Planck Institute for Solid State Research, Stuttgart (Germany); EPFL, Lausanne (Switzerland)

    2010-07-01

    Crown ethers are polycyclic ethers which, in solution, selectively bind cations depending on the size of the ring cavity. The study of a single host-guest complex is highly desirable in order to reveal the characteristics of these specific interactions at the atomic scale. Such detailed investigation is possible at the surface where high resolution imaging tools like scanning tunneling microscopy (STM) can be applied. Here, electrospray ion beam deposition (ES-IBD) is employed for the deposition of Dibenzo-24-crown-8 (DB24C8)-H{sup +}, -Na{sup +} and -Cs{sup +} complexes on a solid surface in ultrahigh vacuum (UHV). Where other deposition techniques have not been successful, this deposition technique combines the advantages of solution based preparation of the complex ions with a highly clean and controlled deposition in UHV. Single molecular structures and the cation-binding of DB24C8 at the surface are studied in situ by STM and MALDI-MS (matrix assisted laser desorption ionization mass spectrometry). The internal structure of the complex, i.e. ring and cavity, is observable only when alkali cations are incorporated. The BD24C8-H{sup +} complex in contrast appears as a compact feature. This result is in good agreement with theoretical models based on density functional theory calculations.

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

    International Nuclear Information System (INIS)

    Caravaca, C.; De Cordoba, G.

    2008-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2008-07-01

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

  18. Methane coupling reaction in an oxy-steam stream through an OH radical pathway by using supported alkali metal catalysts

    KAUST Repository

    Liang, Yin; Li, Zhikao; Nourdine, Mohamed; Shahid, Salman; Takanabe, Kazuhiro

    2014-01-01

    A universal reaction mechanism involved in the oxidative coupling of methane (OCM) is demonstrated under oxy-steam conditions using alkali-metal-based catalysts. Rigorous kinetic measurements indicated a reaction mechanism that is consistent with OH

  19. Investigation of the atom-atom and structural relaxation in liquid alkali metals by means of the memory function formalism

    International Nuclear Information System (INIS)

    Blagoveshchenskii, N. M.; Novikov, A. G.; Savostin, V. V.

    2011-01-01

    An attempt is made to systematize the data on the relaxation characteristics of liquid alkali metals (Li, Na, and K), which were investigated based on neutron-scattering data with the application of the two-time memory function formalism.

  20. Ionic structure of solutions of alkali metals and molten salts

    International Nuclear Information System (INIS)

    Chabrier, G.; Senatore, G.; Tosi, M.P.

    1982-02-01

    Neutron diffraction patterns from K-KCl and Rb-RbBr liquid solutions at various compositions are examined in an ionic-mixture model which neglects screening and aggregation due to the metallic electrons. The main feature of the observed diffraction patterns for wave number k above roughly 1A -1 are accounted for by the model. The approach to the metal-rich end of the phase diagram is analyzed in detail from different viewpoints in the K-KCl system. Short-range correlations of the potassium ions are described in this region by a metallic radius deduced from properties of the pure liquid metal, but a simple expanded-metal model must be supplemented by the assumption that considerable disorder is introduced in its structure by the halogen ions. Features of short-range ordering in the salt-rich region that are implied by a shoulder on the high-k side of the main peak in the diffraction pattern are also commented upon. (author)

  1. Emission Channeling Studies of the Lattice Site of Oversized Alkali Atoms Implanted in Metals

    CERN Multimedia

    2002-01-01

    % IS340 \\\\ \\\\ As alkali atoms have the largest atomic radius of all elements, the determination of their lattice configuration following implantation into metals forms a critical test for the various models predicting the lattice site of implanted impurity atoms. The site determination of these large atoms will especially be a crucial check for the most recent model that relates the substitutional fraction of oversized elements to their solution enthalpy. Recent exploratory $^{213}$Fr and $^{221}$Fr $\\alpha$-emission channeling experiments at ISOLDE-CERN and hyperfine interaction measurements on Fr implanted in Fe gave an indication for anomalously large substitutional fractions. To investigate further the behaviour of Fr and other alkali atoms like Cs and Rb thoroughly, more on-line emission channeling experiments are needed. We propose a number of shifts for each element, where the temperature of the implanted metals will be varied between 50$^\\circ$ and 700$^\\circ$~K. Temperature dependent measurements wi...

  2. Hydration number of alkali metal ions determined by insertion in a conducting polymer

    DEFF Research Database (Denmark)

    Skaarup, Steen

    2008-01-01

    of all other water molecules whose properties are still influenced significantly by the cation. Knowing the hydration number is important when considering, for instance, the transport of Na+ and K+ in biological cell membranes, since their different behavior may depend on the details of ion hydration....... The solvation of alkali metal ions has been discussed for many years without a clear consensus. This work presents a systematic study of the hydration numbers of the 5 alkali metal ions, using the electrochemical insertion of the ions in a conducting polymer (polypyrrole containing the large immobile anion DBS...... direct calculation of the number of M+ ions entering the film, and therefore the inserted M+ mass. The mass of the water molecules is calculated as a difference. The results yield the following primary hydration numbers: Li+: 5.5-5.6; Na+: 4.0-4.1; K+: 2.0-2.5; Rb+: 0.6-1.2; Cs+: ~0. The most important...

  3. Determination of membrane hydration numbers of alkali metal ions by insertion in a conducting polymer

    DEFF Research Database (Denmark)

    Skaarup, Steen; Junaid Mohamed Jafeen, Mohamed; Careem, M.A.

    2010-01-01

    , and a secondary (or outer) solvation shell, consisting of all other water molecules whose properties are still influenced significantly by the cation. Knowing the hydration number is important when considering, for instance, the transport of Na+ and K+ in biological cell membranes, since their different behavior...... may depend on the details of ion hydration. Although the solvation of alkali metal ions in aqueous solution has been discussed for many years, there is still no clear consensus. Part of the discrepancy is simply that different methods measure over different time scales, and therefore do...... not necessarily define the same hydration shell. This work presents a systematic study of one special variant of the hydration numbers of the 5 alkali metal ions, using the electrochemical insertion of the ions in a conducting polymer (polypyrrole containing the large immobile anion DBS-). The technique...

  4. Recyclable hydrogen storage system composed of ammonia and alkali metal hydride

    Energy Technology Data Exchange (ETDEWEB)

    Yamamoto, Hikaru [Department of Quantum Matter, AdSM, Hiroshima University, 1-3-1 Kagamiyama, Higashi-Hiroshima, Hiroshima 739-8530 (Japan); Miyaoka, Hiroki; Hino, Satoshi [Institute for Advanced Materials Research, Hiroshima University, 1-3-1 Kagamiyama, Higashi-Hiroshima, Hiroshima 739-8530 (Japan); Nakanishi, Haruyuki [Higashi-Fuji Technical Center, Toyota Motor Corporation, 1200 Misyuku, Susono, Shizuoka 410-1193 (Japan); Ichikawa, Takayuki; Kojima, Yoshitsugu [Department of Quantum Matter, AdSM, Hiroshima University, 1-3-1 Kagamiyama, Higashi-Hiroshima, Hiroshima 739-8530 (Japan); Institute for Advanced Materials Research, Hiroshima University, 1-3-1 Kagamiyama, Higashi-Hiroshima, Hiroshima 739-8530 (Japan)

    2009-12-15

    Ammonia (NH{sub 3}) reacts with alkali metal hydrides MH (M = Li, Na, and K) in an exothermic reaction to release hydrogen (H{sub 2}) at room temperature, resulting that alkali metal amides (MNH{sub 2}) which are formed as by-products. In this work, hydrogen desorption properties of these systems and the condition for the recycle from MNH{sub 2} back to MH were investigated systematically. For the hydrogen desorption reaction, the reactivities of MH with NH{sub 3} were better following the atomic number of M on the periodic table, Li < Na < K. It was confirmed that the hydrogen absorption reaction of all the systems proceeded under 0.5 MPa of H{sub 2} flow condition below 300 C. (author)

  5. Emission spectra of alkali-metal (K,Na,Li)-He exciplexes in cold helium gas

    International Nuclear Information System (INIS)

    Enomoto, K.; Hirano, K.; Kumakura, M.; Takahashi, Y.; Yabuzaki, T.

    2004-01-01

    We have observed emission spectra of excimers and exciplexes composed of a light alkali-metal atom in the first excited state and 4 He atoms [K*He n (n=1-6), Na * He n (n=1-4), and Li * He n (n=1,2)] in cryogenic He gas (the temperature 2 K -1 . Differently from exciplexes with heavier alkali-metal atoms, the spectra for the different number of He atoms were well separated, so that their assignment could be made experimentally. Comparing with the spectra of K * He n , we found that the infrared emission spectrum of the K atom excited in liquid He was from K*He 6 . To confirm the assignment, we have also carried out ab initio calculation of adiabatic potential curves and peak positions of the emission spectra of the exciplexes

  6. X-ray Compton scattering experiments for fluid alkali metals at high temperatures and pressures

    Energy Technology Data Exchange (ETDEWEB)

    Matsuda, K., E-mail: kazuhiro-matsuda@scphys.kyoto-u.ac.jp; Fukumaru, T.; Kimura, K.; Yao, M. [Graduate School of Science, Kyoto University, Kyoto 606-8502 (Japan); Tamura, K. [Graduate School of Engineering, Kyoto University, Kyoto 606-8502 (Japan); Katoh, M. [A.L.M.T. Corp., Iwasekoshi-Machi 2, Toyama 931-8543 (Japan); Kajihara, Y.; Inui, M. [Graduate School of Integrated Arts and Sciences, Hiroshima University, Higashi-Hiroshima 739-8521 (Japan); Itou, M.; Sakurai, Y. [Japan Synchrotron Radiation Research Institute, SPring-8, 1-1-1 Kouto, Sayo, Hyogo 679-5198 (Japan)

    2015-08-17

    We have developed a high-pressure vessel and a cell for x-ray Compton scattering measurements of fluid alkali metals. Measurements have been successfully carried out for alkali metal rubidium at elevated temperatures and pressures using synchrotron radiation at SPring-8. The width of Compton profiles (CPs) of fluid rubidium becomes narrow with decreasing fluid density, which indicates that the CPs sensitively detect the effect of reduction in the valence electron density. At the request of all authors of the paper, and with the agreement of the Proceedings Editor, an updated version of this article was published on 10 September 2015. The original article supplied to AIP Publishing was not the final version and contained PDF conversion errors in Formulas (1) and (2). The errors have been corrected in the updated and re-published article.

  7. Equation of state for thermodynamic properties of pure and mixtures liquid alkali metals

    International Nuclear Information System (INIS)

    Mousazadeh, M.H.; Faramarzi, E.; Maleki, Z.

    2010-01-01

    We developed an equation of state based on statistical-mechanical perturbation theory for pure and mixtures alkali metals. Thermodynamic properties were calculated by the equation of state, based on the perturbed-chain statistical associating fluid theory (PC-SAFT). The model uses two parameters for a monatomic system, segment size, σ, and segment energy, ε. In this work, we calculate the saturation and compressed liquid density, heat capacity at constant pressure and constant volume, isobaric expansion coefficient, for which accurate experimental data exist in the literatures. Results on the density of binary and ternary alkali metal alloys of Cs-K, Na-K, Na-K-Cs, at temperatures from the freezing point up to several hundred degrees above the boiling point are presented. The calculated results are in good agreement with experimental data.

  8. Active-alkali metal promoted reductive desulfurization of dibenzothiophene and its hindered analogues

    OpenAIRE

    Pittalis, Mario; Azzena, Ugo Gavino; Carraro, Massimo; Pisano, Luisa

    2013-01-01

    Reductive desulfurisation of organic compounds is of importance both in organic synthesis and in industry. Benzo- and dibenzothiophenes are between the most abundant sulphur containing impurities in crude oils, and their desulfurization is a mandatory issue in the production of non polluting fuels. Following our interest in the development of efficient alkali metal-mediated synthetic procedures and alternative protocols for the chemical transformation of widespread environmental contaminants ...

  9. Development of processes for the production of solar grade silicon from halides and alkali metals

    Science.gov (United States)

    Dickson, C. R.; Gould, R. K.

    1980-01-01

    High temperature reactions of silicon halides with alkali metals for the production of solar grade silicon in volume at low cost were studied. Experiments were performed to evaluate product separation and collection processes, measure heat release parameters for scaling purposes, determine the effects of reactants and/or products on materials of reactor construction, and make preliminary engineering and economic analyses of a scaled-up process.

  10. Thermodynamic characteristics of viscous flow activation in aqueous solutions of alkali metal iodides

    International Nuclear Information System (INIS)

    Renskij, I.A.; Rudnitskaya, A.A.; Fialkov, Yu.A.

    2003-01-01

    The Gibbs activation energy of the viscous flow of the alkali metal iodides aqueous solutions MI (M = Li, Na, K, Cs) and from its temperature dependence - the enthalpy and entropy of this process are calculated by the Eyring modified equation. The kinetic compensation effects, related to the viscous flow of the unbound water and to the ion-hydrate complexes are established. The relative contribution of the enthalpy and entropy constituents for these solution components is analyzed [ru

  11. The mechanism of diffusion and ionic transport of alkali metal ions in the particles of tin(IV) antimonate

    International Nuclear Information System (INIS)

    El-Naggar, I.M.; El-Absy, M.A.; Aly, S.I.; Atomic Energy Establishment, Cairo

    1992-01-01

    The kinetics of exchange Li + , Na + , K + and Cs + ions of tin(IV) antimonate with H + form was studied under particle-diffusion-control conditions at different temperatures. The value of activation energy, diffusion coefficient and entropy of activation increase with the ionic mobilities and radii, and decrease with the hydration energy of the alkali metal ions. On the basis of the kinetic parameters, the exchange of alkali metal ions occurs in the unhydrated form. (author). 29 refs.; 4 figs.; 2 tabs

  12. Orbital magnetism and dynamics in alkali metal clusters

    International Nuclear Information System (INIS)

    Nesterenko, V.O.; Kleinig, W.; Souza Cruz, FF. de; Marinelli, J.R.

    2000-01-01

    Two remarkable orbital magnetic resonances, M1 scissor mode and M2 twist mode, are predicted in deformed and spherical metal clusters, respectively. We show that these resonances provide a valuable information about many cluster properties (quadrupole deformation, magnetic susceptibility, single-particle spectrum, etc.)

  13. Solvation Effect on Complexation of Alkali Metal Cations by a Calix[4]arene Ketone Derivative.

    Science.gov (United States)

    Požar, Josip; Nikšić-Franjić, Ivana; Cvetnić, Marija; Leko, Katarina; Cindro, Nikola; Pičuljan, Katarina; Borilović, Ivana; Frkanec, Leo; Tomišić, Vladislav

    2017-09-14

    The medium effect on the complexation of alkali metal cations with a calix[4]arene ketone derivative (L) was systematically examined in methanol, ethanol, N-methylformamide, N,N-dimethylformamide, dimethyl sulfoxide, and acetonitrile. In all solvents the binding of Na + cation by L was rather efficient, whereas the complexation of other alkali metal cations was observed only in methanol and acetonitrile. Complexation reactions were enthalpically controlled, while ligand dissolution was endothermic in all cases. A notable influence of the solvent on NaL + complex stability could be mainly attributed to the differences in complexation entropies. The higher NaL + stability in comparison to complexes with other alkali metal cations in acetonitrile was predominantly due to a more favorable complexation enthalpy. The 1 H NMR investigations revealed a relatively low affinity of the calixarene sodium complex for inclusion of the solvent molecule in the calixarene hydrophobic cavity, with the exception of acetonitrile. Differences in complex stabilities in the explored solvents, apart from N,N-dimethylformamide and acetonitrile, could be mostly explained by taking into account solely the cation and complex solvation. A considerable solvent effect on the complexation equilibria was proven to be due to an interesting interplay between the transfer enthalpies and entropies of the reactants and the complexes formed.

  14. A review of flexible lithium-sulfur and analogous alkali metal-chalcogen rechargeable batteries.

    Science.gov (United States)

    Peng, Hong-Jie; Huang, Jia-Qi; Zhang, Qiang

    2017-08-29

    Flexible energy storage systems are imperative for emerging flexible devices that are revolutionizing our life. Lithium-ion batteries, the current main power sources, are gradually approaching their theoretical limitation in terms of energy density. Therefore, alternative battery chemistries are urgently required for next-generation flexible power sources with high energy densities, low cost, and inherent safety. Flexible lithium-sulfur (Li-S) batteries and analogous flexible alkali metal-chalcogen batteries are of paramount interest owing to their high energy densities endowed by multielectron chemistry. In this review, we summarized the recent progress of flexible Li-S and analogous batteries. A brief introduction to flexible energy storage systems and general Li-S batteries has been provided first. Progress in flexible materials for flexible Li-S batteries are reviewed subsequently, with a detailed classification of flexible sulfur cathodes as those based on carbonaceous (e.g., carbon nanotubes, graphene, and carbonized polymers) and composite (polymers and inorganics) materials and an overview of flexible lithium anodes and flexible solid-state electrolytes. Advancements in other flexible alkali metal-chalcogen batteries are then introduced. In the next part, we emphasize the importance of cell packaging and flexibility evaluation, and two special flexible battery prototypes of foldable and cable-type Li-S batteries are highlighted. In the end, existing challenges and future development of flexible Li-S and analogous alkali metal-chalcogen batteries are summarized and prospected.

  15. The non-pair forces and phonon dispersion in heavy alkali metals

    International Nuclear Information System (INIS)

    Aradhana, Km.; Rathore, R.P.S.

    1990-01-01

    Two types of non-pair forces, one from the Born-Mayer and the other from the Morse potential, are derived to discuss the response of electrons in heavy alkali metals, i.e., rubidium and cesium. The potentials are added to the two-body potential of Morse to account also for the ion-ion interactions. The potentials so obtained are employed to predict the phonon dispersion relations in bcc metals, which are also compared with recent precise neutron scattering data. (author). 1 fig, 3 tabs., 24 refs

  16. Note: A 3D-printed alkali metal dispenser

    Science.gov (United States)

    Norrgard, E. B.; Barker, D. S.; Fedchak, J. A.; Klimov, N.; Scherschligt, J.; Eckel, S.

    2018-05-01

    We demonstrate and characterize a source of Li atoms made from direct metal laser sintered titanium. The source's outgassing rate is measured to be 5(2) × 10-7 Pa L s-1 at a temperature T = 330 °C, which optimizes the number of atoms loaded into a magneto-optical trap. The source loads ≈107 7Li atoms in the trap in ≈1 s. The loaded source weighs 700 mg and is suitable for a number of deployable sensors based on cold atoms.

  17. Density dependent atomic motion in a liquid alkali metal

    International Nuclear Information System (INIS)

    Pilgrim, W.-C.; Hosokawa, S.; Morkel, C.

    2001-01-01

    Inelastic X-ray and neutron scattering results obtained from liquid sodium and rubidium are presented. They cover the entire liquid range between melting and liquid vapour critical point. At high densities the dynamics of the liquid metal is characterized by collective excitations. The corresponding dispersion relations indicate the existence of surprisingly stable next neighbouring shells leading to an increase of the propagation speed for the collective modes. Below 2ρ crit. the dynamics changes from collective to localized indicating the existence of molecular aggregates. This interpretation is in accord with a simple model where the properties of a Rb- and a Rb 2 - lattice are calculated using density functional theory. (orig.)

  18. Alkali metals in addition to acidic pH activate the EvgS histidine kinase sensor in Escherichia coli.

    Science.gov (United States)

    Eguchi, Yoko; Utsumi, Ryutaro

    2014-09-01

    Two-component signal transduction systems (TCSs) in bacteria perceive environmental stress and transmit the information via phosphorelay to adjust multiple cellular functions for adaptation. The EvgS/EvgA system is a TCS that confers acid resistance to Escherichia coli cells. Activation of the EvgS sensor initiates a cascade of transcription factors, EvgA, YdeO, and GadE, which induce the expression of a large group of acid resistance genes. We searched for signals activating EvgS and found that a high concentration of alkali metals (Na(+), K(+)) in addition to low pH was essential for the activation. EvgS is a histidine kinase, with a large periplasmic sensor region consisting of two tandem PBPb (bacterial periplasmic solute-binding protein) domains at its N terminus. The periplasmic sensor region of EvgS was necessary for EvgS activation, and Leu152, located within the first PBPb domain, was involved in the activation. Furthermore, chimeras of EvgS and PhoQ histidine kinases suggested that alkali metals were perceived at the periplasmic sensor region, whereas the cytoplasmic linker domain, connecting the transmembrane region and the histidine kinase domain, was required for low-pH perception. Copyright © 2014, American Society for Microbiology. All Rights Reserved.

  19. An analysis of the plasma impurity influx from alkali-metal coatings for fusion reactor applications

    International Nuclear Information System (INIS)

    DeWald, A.B.; Davidson, J.N.; Krauss, A.R.; Gruen, D.M.

    1982-01-01

    Recently, it has been proposed that alkali-metal covered surfaces be applied to magnetic fusion devices as a means of controlling plasma impurity contamination and shielding the substrate from erosion. Monolayer films of alkali metals have been shown to sputter primarily as ions under particle bombardment. Thus, it is thought that a sheath potential and/or magnetic fields encountered by a sputtered ion will return the ion to the surface without entering the plasma. In this paper, we investigate the net wall impurity influx associated with coatings which exhibit substantial secondary ion emission compared with those which sputter only as neutral atoms. Included in the analysis are sputtered substrate atoms. These are sometimes found to be a significant fraction of the total sputtering yield for low-Z alkali monolayers and affect the overall performance of such coatings. Estimates of the impurity influx made in the neighborhood of a sheath potential show that secondary-ion emitting coatings are effective as a means of inhibiting plasma impurity contamination and wall erosion. (orig.)

  20. Analysis of the plasma impurity influx from alkali-metal coatings for fusion-reactor applications

    International Nuclear Information System (INIS)

    DeWald, A.B.; Davidson, J.N.; Krauss, A.R.; Gruen, D.M.

    1982-01-01

    Recently, it has been proposed that alkali-metal covered surfaces be applied to magnetic fusion devices as a means of controlling plasma impurity contamination and shielding the substrate from erosion. Monolayer films of alkali metals have been shown to sputter primarily as ions under particle bombardment. Thus, it is thought that a sheath potential and/or magnetic fields encountered by a sputtered ion will return the ion to the surface without entering the plasma. In this paper, we investigate the net wall impurity influx associated with coatings which exhibit substantial secondary ion emission as compared to those which sputter only as neutral atoms. Included in the analysis are sputtered substrate atoms. These are sometimes found to be a significant fraction of the total sputtering yield for low-Z alkali monolayers and affect the overall performance of such coatings. Estimates of the impurity influx made in the neighborhood of a sheath potential show that secondary-ion emitting coatings are effective as a means of inhibiting plasma impurity contamination and wall erosion

  1. Effect of alkali metal content of carbon on retention of iodine at high temperatures

    International Nuclear Information System (INIS)

    Evans, A.G.

    1975-01-01

    Activated carbon for filters in reactor confinement systems is intentionally impregnated with iodine salts to enhance the removal of radioiodine from air streams containing organic iodides. When a variety of commercial impregnated carbons were evaluated for iodine retention at elevated temperatures (4 hours at 180 0 C), wide variations in iodine penetration were observed. The alkali metal and iodine content of carbon samples was determined by neutron activation analysis, and a strong correlation was shown between the atom ratio of iodine to alkali metals in the carbons and the high-temperature retention performance. Carbons containing excess alkali (especially potassium) have iodine penetration values 10 to 100 times lower than carbons containing excess iodine. Both low I/K ratios and high pH values were shown essential to high efficiency iodine retention; therefore, conversion of elemental iodine to ionic iodine is the basic reaction mechanism. The natural high K + content and high pH coconut carbons make coconut the preferred natural base material for nuclear air cleaning applications. Studies show, however, that treatment of low potassium carbons with a mixture of KOH and I 2 may produce a product equal to or better than I 2 -impregnated coconut carbons at a lower cost. (U.S.)

  2. Designable ultra-smooth ultra-thin solid-electrolyte interphases of three alkali metal anodes.

    Science.gov (United States)

    Gu, Yu; Wang, Wei-Wei; Li, Yi-Juan; Wu, Qi-Hui; Tang, Shuai; Yan, Jia-Wei; Zheng, Ming-Sen; Wu, De-Yin; Fan, Chun-Hai; Hu, Wei-Qiang; Chen, Zhao-Bin; Fang, Yuan; Zhang, Qing-Hong; Dong, Quan-Feng; Mao, Bing-Wei

    2018-04-09

    Dendrite growth of alkali metal anodes limited their lifetime for charge/discharge cycling. Here, we report near-perfect anodes of lithium, sodium, and potassium metals achieved by electrochemical polishing, which removes microscopic defects and creates ultra-smooth ultra-thin solid-electrolyte interphase layers at metal surfaces for providing a homogeneous environment. Precise characterizations by AFM force probing with corroborative in-depth XPS profile analysis reveal that the ultra-smooth ultra-thin solid-electrolyte interphase can be designed to have alternating inorganic-rich and organic-rich/mixed multi-layered structure, which offers mechanical property of coupled rigidity and elasticity. The polished metal anodes exhibit significantly enhanced cycling stability, specifically the lithium anodes can cycle for over 200 times at a real current density of 2 mA cm -2 with 100% depth of discharge. Our work illustrates that an ultra-smooth ultra-thin solid-electrolyte interphase may be robust enough to suppress dendrite growth and thus serve as an initial layer for further improved protection of alkali metal anodes.

  3. Alkali metal bismuth(III) chloride double salts

    Energy Technology Data Exchange (ETDEWEB)

    Kelly, Andrew W. [Department of Chemistry, College of William and Mary, Williamsburg, VA 23187 (United States); Nicholas, Aaron; Ahern, John C. [Department of Chemistry, University of Maine, Orono, ME 04469 (United States); Chan, Benny [Department of Chemistry, College of New Jersey, Ewing, NJ 08628-0718 (United States); Patterson, Howard H. [Department of Chemistry, University of Maine, Orono, ME 04469 (United States); Pike, Robert D., E-mail: rdpike@wm.edu [Department of Chemistry, College of William and Mary, Williamsburg, VA 23187 (United States)

    2016-06-15

    near 295, 340, and 380 nm and a broad emission near 440 nm. - Graphical abstract: The double salts Na2BiCl5·5H2O, K7Bi3Cl16, Rb3BiCl6·0.5H2O, Cs3BiCl6, and Cs3Bi2Cl9 were formed by co-crystallization of MCl (M = Na, K, Rb, Cs) with BiOCl in aqueous HCl. The crystal structures and solid state luminescence are reported. - Highlights: • New double salt phases are reported for NaCl/BiCl{sub 3}, KCl/BiCl{sub 3}, RbCl/BiCl{sub 3}, and CsCl/BiCl{sub 3}. • A variety of alkali chloride:bismuth chloride ratios are reported. • Chloride bridging produces oligomeric and/or polymeric bismuth chloride chains in several cases. • Convenient bulk synthesis from BiOCl is reported. • Four of the five reported double salts exhibit photoluminescence as a result of charge transfer.

  4. Promotion Effect of Alkali Metal Hydroxides on Polymer-Stabilized Pd Nanoparticles for Selective Hydrogenation of C–C Triple Bonds in Alkynols

    OpenAIRE

    Nikoshvili, Linda Zh.; Bykov, Alexey V.; Khudyakova, Tatiana E.; Lagrange, Thomas; Héroguel, Florent; Luterbacher, Jeremy S.; Matveeva, Valentina G.; Sulman, Esther M.; Dyson, Paul J.; Kiwi-Minsker, Lioubov

    2017-01-01

    Postimpregnation of Pd nanoparticles (NPs) stabilized within hyper-cross-linked polystyrene with sodium or potassium hydroxides of optimal concentration was found to significantly increase the catalytic activity for the partial hydrogenation of the C–C triple bond in 2-methyl-3-butyn-2-ol at ambient hydrogen pressure. The alkali metal hydroxide accelerates the transformation of the residual Pd(II) salt into Pd(0) NPs and diminishes the reaction induction period. In addition, the selectivity t...

  5. First-principles simulations on the new hybrid phases of germanene with alkali metal atoms coverage

    Energy Technology Data Exchange (ETDEWEB)

    Yuan, Jianmei [Hunan Key Laboratory for Computation and Simulation in Science and Engineering, School of Mathematics and Computational Science, Xiangtan University, Hunan 411105 (China); Tang, Chan; Zhong, Jianxin [Hunan Key Laboratory for Micro-Nano Energy Materials and Devices, School of Physics and Optoelectronic Engineering, Xiangtan University, Hunan 411105 (China); Mao, Yuliang, E-mail: ylmao@xtu.edu.cn [Hunan Key Laboratory for Micro-Nano Energy Materials and Devices, School of Physics and Optoelectronic Engineering, Xiangtan University, Hunan 411105 (China)

    2016-01-01

    Graphical abstract: - Highlights: • The predicted new phase of complete lithiated germanene is more favorable to form than germanane. • Besides ionic interactions, covalent component in some extent leads the complete lithiated germanene into a semiconductor. • 2D phases of Ge{sub 2}X{sub 1} (X = Li, Na, K) are metallic with weak polarization. • Half-lithiated germanene exhibits local magnetic moments on the Ge atoms neighbored with Li adatoms. - Abstract: We present first-principles calculations of a new type hybrid phases composed by buckled germanene with saturated or half-saturated alkali metal atoms adsorption. Our energetics and electronic structure analysis suggests that adsorbed alkali metal atoms (Li, Na, K) can be used as covered adatoms to synthesize germanene-based new phases in two dimensional. The predicted new phases of Ge{sub 2}X{sub 2} and Ge{sub 2}X{sub 1} (X = Li, Na, K) relative to the single germanene sheet could exist at room temperature. The formation energy of Ge{sub 2}Li{sub 2} configuration obtained from complete lithiation is even more favorable than that of germanane. Charge transfer is significant between the alkali metal atoms and Ge, indicating the ionic interactions between them. Furthermore, our charge density analysis indicates that covalent component in some extent exists in Ge{sub 2}X{sub 2} and Ge{sub 2}X{sub 1} (X = Li, Na, K) 2D phases, which even leads the complete lithiated germanene into a semiconductor with an energy gap of 0.14 eV. We report that 2D phases of Ge{sub 2}X{sub 1} (X = Li, Na, K) are metallic with weak polarization on the Fermi level and in unoccupied states. It is found that half-lithiated germanene exhibits local magnetic moments of 0.48 μ{sub B} on the Ge atoms neighbored with Li adatoms.

  6. Comprehensive characterization of hydrothermal liquefaction products obtained from woody biomass under various alkali catalyst concentrations.

    Science.gov (United States)

    Hwang, Hyewon; Lee, Jae Hoon; Choi, In-Gyu; Choi, Joon Weon

    2018-01-29

    Hydrothermal liquefaction (HTL) of lignocellulosic biomass has been widely investigated for the production of renewable and alternative bio-crude oil. In this study, catalytic hydrothermal processing of two biomasses (larch and Mongolian oak) was performed using different K 2 CO 3 concentrations (0, 0.1, 0.5, 1.0 wt% of solvent) to improve fuel yield and properties. HTL oil, hydrochar, water-soluble fraction (WSF) and gas were characterized, and carbon balance was investigated. As a result, the maximum yield of HTL oil, 27.7 wt% (Mongolian oak) and 25.7 wt% (larch), and the highest carbon conversion ratio was obtained with 0.5 wt% of catalyst. The high catalyst concentration also resulted in an increase in higher heating values up to 31.9 MJ/kg. In addition, the amount of organic compounds in HTL oil also increased, specifically for lignin-derived compounds including catechol and hydroquinone which can be derived from secondary hydrolysis of lignin. On the other hand, formation of hydrochar was suppressed with the addition of alkali catalyst and the yield dramatically decreased from 30.7-40.8 wt.% to 20.0-21.8 wt.%. Furthermore, it was revealed that WSF had low organic carbon content less than 3.4% and high potassium content mostly derived from alkali catalyst, indicating that it may be reusable with simple purification. This work suggests that the addition of the proper amount of alkali catalyst can improve the production efficiency and quality of bio-crude oil, and another potential of WSF to be recyclable in further work.

  7. Interactions of nucleobases with alkali earth metal cations--electrospray ionization mass spectrometric study.

    Science.gov (United States)

    Frańska, Magdalena

    2007-01-01

    Interactions of nucleobases with alkali earth metal cations have been studied by electrospray ionization mass spectrometry (ESI-MS). Nucleobases containing at least one oxygen atom form stable complexes with alkali earth metal cations. This phenomenon can be explained on the grounds of the well known theory of hard and soft acids and bases. Uracil and thymine make complexes only when in their deprotonoted forms. The cations of great radii (Sr(2+), Ba(2+)) are more prone to form complexes of stoichiometry 1:1 with uracil and thymine than the cations of small radii (Mg(2+), Ca(2+)). On the other hand, Mg(2+) forms complexes of stoichiometry 2:1 and 3:2 with uracil and thymine. Gas-phase stabilities of the 1:1 complexes are higher for the cations of small radii, in contrast to the solution stabilities. For cytosine and 9- methylhypoxantine the 1:1 complexes of their deprotonated forms are observed at higher cone voltage as a result of HCl molecule loss from the complexes containing the counter ion (Cl(-)). In solution, more stable complexes are formed with metal cations of low radii. Gas-phase stability of the complexes formed by deprotonated 9- methyl-hypoxantine increases with increasing metal cation radius.

  8. Reaction of calcium chloride with alkali metal chlorides in melts

    International Nuclear Information System (INIS)

    Savin, V.D.; Mikhajlova, N.P.

    1984-01-01

    Thermochemical characteristics of CaCl 2 reaction with sodium, potassium, rubidium and cesium chlorides in melts at 890 deg C are determined. The values of formation enthalpies of infinitely diluted by CaCl 2 solutions (ΔH) in the chloride row increase from -22 in NaCl to -47 kJ/mol of CaCl 2 in CsCl. With increasing the concentration of calcium chloride in the solution the ΔH values decrease. The regularities of separation from the solution of the CaCl 2 -CsCl system at 890 deg C of the CaCl 2 x CsCl in solid are studied. Formation enthalpies under the given conditions constitutes -70+-3 kJ/mol

  9. Discriminating Properties of Alkali Metal Ions Towards the Constituents of Proteins and Nucleic Acids. Conclusions from Gas-Phase and Theoretical Studies.

    Science.gov (United States)

    Rodgers, Mary T; Armentrout, Peter B

    2016-01-01

    Quantitative insight into the structures and thermodynamics of alkali metal cations interacting with biological molecules can be obtained from studies in the gas phase combined with theoretical work. In this chapter, the fundamentals of the experimental and theoretical techniques are first summarized and results for such work on complexes of alkali metal cations with amino acids, small peptides, and nucleobases are reviewed. Periodic trends in how these interactions vary as the alkali metal cations get heavier are highlighted.

  10. The influence of chlorine on the fate and activity of alkali metals during the gasification of wood

    Energy Technology Data Exchange (ETDEWEB)

    Struis, R; Scala, C von; Schuler, A; Stucki, S [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1999-08-01

    Chlorine clearly inhibits the CO{sub 2}-gasification reaction of charcoal at 800{sup o}C. From this and other observations the picture emerges that the reduction in the gasification reactivity of the charcoal is intimately related to the deactivation of the catalytically active alkali metals residing in the wood due to the formation of the chloride salt. It is argued that the heavy metal chlorides will likely transfer the chlorine to the indigenous alkali metals during the pyrolysis stage of the wood. The fate of the thus formed alkali metal chlorides can then be either their removal from the sample (evaporation), or, when present at the gasification stage, re-activation (i.e., de-chlorination) under our gasification conditions. (author) 3 figs., 4 refs.

  11. Studies on indigenous ion exchange resins: alkali metal ions-hydrogen ion exchange equilibria

    International Nuclear Information System (INIS)

    Shankar, S.; Kumar, Surender; Venkataramani, B.

    2001-01-01

    With a view to select a suitable ion exchange resin for the removal of radionuclides (such as cesium, strontium etc.) from low level radioactive effluents, alkali metal ion -H' exchanges on nine indigenous gel- and macroporous-type and nuclear grade resins have been studied at a total ionic strength of 0.1 mol dm .3 (in the case ofCs' -H' exchange it was 0.05 mol dm .3 ). The expected theoretical capacities were not attained by all the resins for the alkali metal ions. The water content (moles/equiv.) of the fully swollen resins for different alkali metal ionic forms do not follow the usual sequence of greater the tendency of the cation to hydrate the higher the water uptake, but a reverse trend. The ion exchange isotherms (plots of equivalent fractions of the ion in resin phase, N M1 to that in solution, N M ) were not satisfactory and sorption of cations, for most of the resins, was possible only when the acidity of the solution was lowered. The variations of the selectivity coefficient, K, with N M show that the resins are highly cross linked and the selectivity sequence: Cs + >K + >Na + >Li + , obtained for all the resins indicate that hydrated ions were involved in the exchange process. However, the increase in the selectivity was not accompanied by the release of water, but unusual uptake of water, during the exchange process. The characteristics of macroporous resins were not significantly different from those of the gel-type resins. The results are discussed in terms of heterogeneity in the polymer net work, improper sulphonation process resulting in the formation of functional groups at inaccessible sites with weak acidic character and the overall lack of control in the preparation of different resins. (author)

  12. Crown Ether Complexes of Alkali-Metal Chlorides from SO2.

    Science.gov (United States)

    Reuter, Kirsten; Rudel, Stefan S; Buchner, Magnus R; Kraus, Florian; von Hänisch, Carsten

    2017-07-18

    The structures of alkali-metal chloride SO 2 solvates (Li-Cs) in conjunction with 12-crown-4 or 1,2-disila-12-crown-4 show strong discrepancies, despite the structural similarity of the ligands. Both types of crown ethers form 1:1 complexes with LiCl to give [Li(1,2-disila-12-crown-4)(SO 2 Cl)] (1) and [Li(12-crown-4)Cl]⋅4 SO 2 (2). However, 1,2-disila-12-crown-4 proved unable to coordinate cations too large for the cavity diameter, for example, by the formation of sandwich-type complexes. As a result, 12-crown-4 reacts exclusively with the heavier alkali-metal chlorides NaCl, KCl and RbCl. Compounds [Na(12-crown-4) 2 ]Cl⋅4 SO 2 (3) and [M(12-crown-4) 2 (SO 2 )]Cl⋅4 SO 2 (4: M=K; 5: M=Rb) all showed S-coordination to the chloride ions through four SO 2 molecules. Compounds 4 and 5 additionally exhibit the first crystallographically confirmed non-bridging O,O'-coordination mode of SO 2 . Unexpectedly, the disila-crown ether supports the dissolution of RbCl and CsCl in the solvent and gives the homoleptic SO 2 -solvated alkali-metal chlorides [MCl⋅3 SO 2 ] (6: M=Rb; 7: M=Cs), which incorporate bridging μ-O,O'-coordinating moieties and the unprecedented side-on O,O'-coordination mode. All compounds were characterised by single-crystal X-ray diffraction. The crown ether complexes were additionally studied by using NMR spectroscopy, and the presence of SO 2 at ambient temperature was revealed by IR spectroscopy of the neat compounds. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Thermochemical ablation therapy of VX2 tumor using a permeable oil-packed liquid alkali metal.

    Directory of Open Access Journals (Sweden)

    Ziyi Guo

    Full Text Available Alkali metal appears to be a promising tool in thermochemical ablation, but, it requires additional data on safety is required. The objective of this study was to explore the effectiveness of permeable oil-packed liquid alkali metal in the thermochemical ablation of tumors.Permeable oil-packed sodium-potassium (NaK was prepared using ultrasonic mixing of different ratios of metal to oil. The thermal effect of the mixture during ablation of muscle tissue ex vivo was evaluated using the Fluke Ti400 Thermal Imager. The thermochemical effect of the NaK-oil mixture on VX2 tumors was evaluated by performing perfusion CT scans both before and after treatment in 10 VX2 rabbit model tumors. VX2 tumors were harvested from two rabbits immediately after treatment to assess their viability using trypan blue and hematoxylin and eosin (H.E. staining.The injection of the NaK-oil mixture resulted in significantly higher heat in the ablation areas. The permeable oil controlled the rate of heat released during the NaK reaction with water in the living tissue. Perfusion computed tomography and its parameter map confirmed that the NaK-oil mixture had curative effects on VX2 tumors. Both trypan blue and H.E. staining showed partial necrosis of the VX2 tumors.The NaK-oil mixture may be used successfully to ablate tumor tissue in vivo. With reference to the controlled thermal and chemical lethal injury to tumors, using a liquid alkali in ablation is potentially an effective and safe method to treat malignant tumors.

  14. Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach.

    Science.gov (United States)

    Li, H; Aquino, A J A; Cordes, D B; Hase, W L; Krempner, C

    2017-02-01

    Zwitterionic group 14 complexes of the alkali metals of formula [C(SiMe 2 OCH 2 CH 2 OMe) 3 M], (M- 1 ), [Si(SiMe 2 OCH 2 CH 2 OMe) 3 M], (M- 2 ), [Ge(SiMe 2 OCH 2 CH 2 OMe) 3 M], (M- 3 ), where M = Li, Na or K, have been prepared, structurally characterized and their electronic nature was investigated by computational methods. Zwitterions M- 2 and M- 3 were synthesized via reactions of [Si(SiMe 2 OCH 2 CH 2 OMe) 4 ] ( 2 ) and [Ge(SiMe 2 OCH 2 CH 2 OMe) 4 ] ( 3 ) with MOBu t (M = Li, Na or K), resp., in almost quantitative yields, while M- 1 were prepared from deprotonation of [HC(SiMe 2 OCH 2 CH 2 OMe) 3 ] ( 1 ) with LiBu t , NaCH 2 Ph and KCH 2 Ph, resp. X-ray crystallographic studies and DFT calculations in the gas-phase, including calculations of the NPA charges confirm the zwitterionic nature of these compounds, with the alkali metal cations being rigidly locked and charge separated from the anion by the internal OCH 2 CH 2 OMe donor groups. Natural bond orbital (NBO) analysis and the second order perturbation theory analysis of the NBOs reveal significant hyperconjugative interactions in M- 1 -M- 3 , primarily between the lone pair and the antibonding Si-O orbitals, the extent of which decreases in the order M- 1 > M- 2 > M- 3 . The experimental basicities and the calculated gas-phase basicities of M- 1 -M- 3 reveal the zwitterionic alkali metal methanides M- 1 to be significantly stronger bases than the analogous silanides M- 2 and germanium M- 3 .

  15. Evaluation of Ce3+ and alkali metal ions Co-doped LiSrAlF6 crystalline scintillators

    International Nuclear Information System (INIS)

    Wakahara, Shingo; Yanagida, Takayuki; Fujimoto, Yutaka; Yokota, Yuui; Pejchal, Jan; Kurosawa, Shunsuke; Suzuki, Shotaro; Kawaguchi, Noriaki; Fukuda, Kentaro; Yoshikawa, Akira

    2013-01-01

    High scintillation efficiency of Eu-doped LiSrAlF 6 (LiSAF) and LiCaAlF 6 (LiCAF) codoped with alkali metal ions has been reported in our recent studies. Thus in this paper, we demonstrated the scintillation properties of 1% Ce-doped LiSAF crystals with 1% alkali metal ions co-doping to increase the light yield and understand the scintillation mechanism. The crystals showed intense emission band corresponding to the 5d-4f transition of Ce 3+ , and their light yields under thermal neutron excitation were higher than that of the Ce only doped crystal. Especially, the light yield of Ce–Na co-doped crystal exceeded about two times that of Ce only doped one. -- Highlights: ► Ce-doped and alkali metal co-doped LiSAF crystals were grown by μ-PD method. ► Alkali metal co-doped crystals showed higher light yield than Ce only doped crystal. ► Decay time of alkali metal co-doped LiSAF were longer than that of Ce only doped one

  16. Non-isovalent alkali metal ''substitution'' in YBa2Cu3O7-y granular ceramics

    International Nuclear Information System (INIS)

    Cloots, R.; Liege Univ.; Rulmont, A.; Pekala, M.; Liege Univ.; Laval, J.Y.; Bougrine, H.; Liege Univ.; Ausloos, M.

    1995-01-01

    The aim of this paper is to study the influence of non-isovalent ''doping'' in YBa 2 Cu 3 O 7-y in particular on its synthesis conditions and on the resistive properties both with and without a magnetic field. We concentrate on the study of possible alkali ions (Na, K, Cs) ''substitution'' at the barium sites. A low temperature sintering process is used in order to induce a reactive liquid phase. The final chemical composition is discussed as a function of the amount of the liquid phase. No alkali ion is substituted. Carbonate layers are present. However, this (lack of) ''substitution'' leads to induced vacancies and improved electrical transport properties which are as good as in highly pure materials. For conciseness the case of Na ''substitution'' only is illustrated. The use of such data in order to probe the microstructure is emphasized. (orig.)

  17. Effect of particle size on thermal decomposition of alkali metal picrates

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Rui; Zhang, Tonglai, E-mail: ztlbit@bit.edu.cn; Yang, Li; Zhou, Zunning

    2014-05-01

    Graphical abstract: The smaller-sized picrate has greater gas emission than do its larger counterpart. The small size effect reduces the thermal decomposition activation energy, accelerates the reaction rate, and promotes the reaction activity. - Highlights: • Picrates were prepared into three micron sizes by microemulsion synthesis. • Thermal decomposition kinetics and thermodynamics were studied by DPTA and DSC. • Smaller-sized picrate has higher activity and faster reaction rate. • Particle size effect on thermal decomposition kinetics and thermodynamics was revealed. - Abstract: Three alkali metal picrates, KPA, RbPA and CsPA, were prepared into three micron sizes by microemulsion synthesis, and their thermal decomposition behaviors were investigated by DPTA at different temperatures and by DSC at different heating rates. The smaller-sized picrate has greater gas emission and smaller kinetic and thermodynamic parameters than do its larger counterpart. It can be attributed to the decreasing particle size which leads to the high surface energy, the fast mass and heat transfer, and the increasing active sites on the reaction interface. The small size effect and surface effect cause the autocatalysis which reduces the activation energy and promotes the reaction activity. The particle size does not affect the reaction mechanism. However, the picrates with different central alkali metals exhibit different reaction mechanisms even though they are of the same size. This is because the central metal determines the bond energy and consequently affects the stability of picrate.

  18. Effect of particle size on thermal decomposition of alkali metal picrates

    International Nuclear Information System (INIS)

    Liu, Rui; Zhang, Tonglai; Yang, Li; Zhou, Zunning

    2014-01-01

    Graphical abstract: The smaller-sized picrate has greater gas emission than do its larger counterpart. The small size effect reduces the thermal decomposition activation energy, accelerates the reaction rate, and promotes the reaction activity. - Highlights: • Picrates were prepared into three micron sizes by microemulsion synthesis. • Thermal decomposition kinetics and thermodynamics were studied by DPTA and DSC. • Smaller-sized picrate has higher activity and faster reaction rate. • Particle size effect on thermal decomposition kinetics and thermodynamics was revealed. - Abstract: Three alkali metal picrates, KPA, RbPA and CsPA, were prepared into three micron sizes by microemulsion synthesis, and their thermal decomposition behaviors were investigated by DPTA at different temperatures and by DSC at different heating rates. The smaller-sized picrate has greater gas emission and smaller kinetic and thermodynamic parameters than do its larger counterpart. It can be attributed to the decreasing particle size which leads to the high surface energy, the fast mass and heat transfer, and the increasing active sites on the reaction interface. The small size effect and surface effect cause the autocatalysis which reduces the activation energy and promotes the reaction activity. The particle size does not affect the reaction mechanism. However, the picrates with different central alkali metals exhibit different reaction mechanisms even though they are of the same size. This is because the central metal determines the bond energy and consequently affects the stability of picrate

  19. Thermodynamics and structure of liquid alkali metals from the charged-hard-sphere reference fluid

    International Nuclear Information System (INIS)

    Lai, S.K.; Akinlade, O.; Tosi, M.P.

    1989-12-01

    The evaluation of thermodynamic properties of liquid alkali metals is re-examined in the approach based on the Gibbs-Bogoliubov inequality and using the fluid of charged hard spheres in the mean spherical approximation as reference system, with a view to achieving consistency with the liquid structure factor. The perturbative variational calculation of the Helmholtz free energy is based on an ab initio and highly reliable nonlocal pseudopotential. Only limited improvement is found in the calculated thermodynamic functions, even when full advantage is taken of the two variational parameters inherent in this approach. The role of thermodynamic self-consistency between the equations of state of the reference fluid derived from the routes of the internal energy and of the virial theorem is then discussed, using previous results by Hoye and Stell. An approximate evaluation of the corresponding contribution to the free energy of liquid alkali metals yields appreciable improvements in both the thermodynamic functions and the liquid structure factor. It thus appears that an accurate treatment of thermodynamic self-consistency in the charged-hard-sphere system may help to resolve some of the difficulties that are commonly met in the evaluation of thermodynamic and structural properties of liquid metals. (author). 55 refs, 4 figs, 4 tabs

  20. Synthesis and adsorption investigations of zeolites MCM-22 and MCM-49 modified by alkali metal cations

    Czech Academy of Sciences Publication Activity Database

    Pawlesa, Justyna; Zukal, Arnošt; Čejka, Jiří

    2007-01-01

    Roč. 13, 3-4 (2007), s. 257-265 ISSN 0929-5607 Grant - others:DeSSANS(XE) SES6-CT-2005-020133; INDENS(XE) MRTN-CT-2004-005503 Institutional research plan: CEZ:AV0Z40400503 Source of funding: R - rámcový projekt EK ; R - rámcový projekt EK Keywords : MCM-22 zeolite * MCM-49 zeolite * alkali metal cation exchange * N2 and CO2 adsorption Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.880, year: 2007

  1. s-wave elastic scattering of antihydrogen off atomic alkali-metal targets

    International Nuclear Information System (INIS)

    Sinha, Prabal K.; Ghosh, A. S.

    2006-01-01

    We have investigated the s-wave elastic scattering of antihydrogen atoms off atomic alkali-metal targets (Li, Na, K, and Rb) at thermal energies (10 -16 -10 -4 a.u.) using an atomic orbital expansion technique. The elastic cross sections of these systems at thermal energies are found to be very high compared to H-H and H-He systems. The theoretical models employed in this study are so chosen to consider long-range forces dynamically in the calculation. The mechanism of cooling suggests that Li may be considered to be a good candidate as a buffer gas for enhanced cooling of antihydrogen atoms to ultracold temperature

  2. High-performance ion-exchange chromatography of alkali metals with conductivity detection

    International Nuclear Information System (INIS)

    Ahmad, M.; Khan, A.R.

    1981-01-01

    High-performance ion-exchange chromatography of alkali metal and ammonium ions was studied using a conductivity meter as detector. Elution with 0.003 N mitric acid gave excellent resolution. Sensitivity levels, for a 200 micro litre injection, vary from 5 ppm for potassium to 0.1 ppm for lithium. A method to decrease retention times by reducing the exchange capacity of the cation exchange column used by loading it with calciumions, without affecting the resolation, has been described. Application of the method to water, soil and uranium dioxide samples has been demonstrated. (author)

  3. Chlorination of uranium oxides in melts of alkali metal chlorides and their mixtures

    International Nuclear Information System (INIS)

    Vorobej, M.P.; Bevz, A.S.; Skiba, O.V.

    1978-01-01

    Chlorination of UO 2 , U 3 O 8 , and UO 3 in melts of chlorides of alkali metals and of their mixtures has been studied by thermogravimetric, X-ray phase, and spectrophotometric methods. The thermogravimetric method has been proposed for evaluating the state of uranylcation in the melt; the effect of the composition of the oxide being chlorinated and of the salt-solvent on the composition of the chlorination products has been studied. The effect of the composition of the chlorination products on the stoichiometry of the electrolytic uranium dioxide has been shown

  4. Behavior of Alkali Metals and Ash in a Low-Temperature Circulating Fluidized Bed (LTCFB) Gasifier

    DEFF Research Database (Denmark)

    Narayan, Vikas; Jensen, Peter Arendt; Henriksen, Ulrik Birk

    2016-01-01

    W and a 6 MW LTCFBgasifier. Of the total fuel ash entering the system, the largest fraction (40−50%) was retained in the secondary cyclone bottoms,while a lower amount (8−10%) was released as dust in the exit gas. Most of the alkali and alkaline earth metals were retained inthe solid ash, along with Si...... by the particle size and the cut size ofthe primary and secondary cyclones. A model accounting for the ash collection by the plant cyclones was shown to predict theproduct gas ash particle release reasonably well....

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

    International Nuclear Information System (INIS)

    Bobrik, V.M.

    1977-01-01

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

  6. Molybdenum cell for x-ray diffraction measurements of fluid alkali metals at high temperatures and high pressures

    Science.gov (United States)

    Matsuda, Kazuhiro; Tamura, Kozaburo; Katoh, Masahiro; Inui, Masanori

    2004-03-01

    We have developed a sample cell for x-ray diffraction measurements of fluid alkali metals at high temperatures and high pressures. All parts of the cell are made of molybdenum which is resistant to the chemical corrosion of alkali metals. Single crystalline molybdenum disks electrolytically thinned down to 40 μm were used as the walls of the cell through which x rays pass. The crystal orientation of the disks was controlled in order to reduce the background from the cell. All parts of the cell were assembled and brazed together using a high-temperature Ru-Mo alloy. Energy dispersive x-ray diffraction measurements have been successfully carried out for fluid rubidium up to 1973 K and 16.2 MPa. The obtained S(Q) demonstrates the applicability of the molybdenum cell to x-ray diffraction measurements of fluid alkali metals at high temperatures and high pressures.

  7. A numerical study of spin-dependent organization of alkali-metal atomic clusters using density-functional method

    International Nuclear Information System (INIS)

    Liu Xuan; Ito, Haruhiko; Torikai, Eiko

    2012-01-01

    We calculate the different geometric isomers of spin clusters composed of a small number of alkali-metal atoms using the UB3LYP density-functional method. The electron density distribution of clusters changes according to the value of total spin. Steric structures as well as planar structures arise when the number of atoms increases. The lowest spin state is the most stable and Li n , Na n , K n , Rb n , and Cs n with n = 2–8 can be formed in higher spin states. In the highest spin state, the preparation of clusters depends on the kind and the number of constituent atoms. The interaction energy between alkali-metal atoms and rare-gas atoms is smaller than the binding energy of spin clusters. Consequently, it is possible to self-organize the alkali-metal-atom clusters on a non-wetting substrate coated with rare-gas atoms.

  8. A study on optical properties of poly (ethylene oxide) based polymer electrolyte with different alkali metal iodides

    Science.gov (United States)

    Rao, B. Narasimha; Suvarna, R. Padma

    2016-05-01

    Polymer electrolytes were prepared by adding poly (ethylene glycol) dimethyl ether (PEGDME), TiO2 (nano filler), different alkali metal iodide salts RI (R+=Li+, Na+, K+, Rb+, Cs+) and I2 into Acetonitrile gelated with Poly (ethylene oxide) (PEO). Optical properties of poly (ethylene oxide) based polymer electrolytes were studied by FTIR, UV-Vis spectroscopic techniques. FTIR spectrum reveals that the alkali metal cations were coordinated to ether oxygen of PEO. The optical absorption studies were made in the wavelength range 200-800 nm. It is observed that the optical absorption increases with increase in the radius of alkali metal cation. The optical band gap for allowed direct transitions was evaluated using Urbach-edges method. The optical properties such as optical band gap, refractive index and extinction coefficient were determined. The studied polymer materials are useful for solar cells, super capacitors, fuel cells, gas sensors etc.

  9. Re-evaluation of the thermodynamic activity quantities in aqueous alkali metal nitrate solutions at T = 298.15 K

    Energy Technology Data Exchange (ETDEWEB)

    Partanen, Jaakko I., E-mail: jpartane@lut.f [Laboratory of Physical Chemistry, Department of Chemical Technology, Lappeenranta University of Technology, P.O. Box 20, FIN-53851 Lappeenranta (Finland)

    2010-12-15

    The Hueckel equation used in this study to correlate the experimental activities of dilute alkali metal nitrate solutions up to a molality of about 1.5 mol . kg{sup -1} contains two parameters being dependent on the electrolyte: B [that is related closely to the ion-size parameter (a*) in the Debye-Hueckel equation] and b{sub 1} (this parameter is the coefficient of the linear term with respect to the molality and this coefficient is related to hydration numbers of the ions of the electrolyte). In more concentrated solutions up to a molality of 7 mol . kg{sup -1}, an extended Hueckel equation was used, and it contains additionally a quadratic term with respect to the molality and the coefficient of this term is parameter b{sub 2}. All parameter values for the Hueckel equations of LiNO{sub 3}, NaNO{sub 3}, and KNO{sub 3} were determined from the isopiestic data measured by Robinson for solutions of these salts against KCl solutions [J. Am. Chem. Soc. 57 (1935) 1165]. In these estimations, the Hueckel parameters determined recently for KCl solutions [J. Chem. Eng. Data 54 (2009) 208] were used. The Hueckel parameters for RbNO{sub 3} and CsNO{sub 3} were determined from the reported osmotic coefficients of Robinson [J. Am. Chem. Soc. 59 (1937) 84]. The resulting parameter values were tested with the vapour pressure and isopiestic data existing in the literature for alkali metal nitrate solutions. These data support well the recommended Hueckel parameters up to a molality of 7.0 mol . kg{sup -1} for LiNO{sub 3} and NaNO{sub 3}, up to 4.5 mol . kg{sup -1} for RbNO{sub 3}, up to 3.5 mol . kg{sup -1} for KNO{sub 3}, and up to 1.4 mol . kg{sup -1} for CsNO{sub 3} solutions. Reliable activity and osmotic coefficients of alkali metal nitrate solutions can, therefore, be calculated by using the new Hueckel equations, and they have been tabulated at rounded molalities. The activity and osmotic coefficients obtained from these equations were compared to the values suggested by

  10. Metal-mediated aminocatalysis provides mild conditions: Enantioselective Michael addition mediated by primary amino catalysts and alkali-metal ions

    Directory of Open Access Journals (Sweden)

    Matthias Leven

    2013-01-01

    Full Text Available Four catalysts based on new amides of chiral 1,2-diamines and 2-sulfobenzoic acid have been developed. The alkali-metal salts of these betaine-like amides are able to form imines with enones, which are activated by Lewis acid interaction for nucleophilic attack by 4-hydroxycoumarin. The addition of 4-hydroxycoumarin to enones gives ee’s up to 83% and almost quantitative yields in many cases. This novel type of catalysis provides an effective alternative to conventional primary amino catalysis were strong acid additives are essential components.

  11. Alkali metal control over N-N cleavage in iron complexes.

    Science.gov (United States)

    Grubel, Katarzyna; Brennessel, William W; Mercado, Brandon Q; Holland, Patrick L

    2014-12-03

    Though N2 cleavage on K-promoted Fe surfaces is important in the large-scale Haber-Bosch process, there is still ambiguity about the number of Fe atoms involved during the N-N cleaving step and the interactions responsible for the promoting ability of K. This work explores a molecular Fe system for N2 reduction, particularly focusing on the differences in the results obtained using different alkali metals as reductants (Na, K, Rb, Cs). The products of these reactions feature new types of Fe-N2 and Fe-nitride cores. Surprisingly, adding more equivalents of reductant to the system gives a product in which the N-N bond is not cleaved, indicating that the reducing power is not the most important factor that determines the extent of N2 activation. On the other hand, the results suggest that the size of the alkali metal cation can control the number of Fe atoms that can approach N2, which in turn controls the ability to achieve N2 cleavage. The accumulated results indicate that cleaving the triple N-N bond to nitrides is facilitated by simultaneous approach of least three low-valent Fe atoms to a single molecule of N2.

  12. Neutral glycoconjugated amide-based calix[4]arenes: complexation of alkali metal cations in water.

    Science.gov (United States)

    Cindro, Nikola; Požar, Josip; Barišić, Dajana; Bregović, Nikola; Pičuljan, Katarina; Tomaš, Renato; Frkanec, Leo; Tomišić, Vladislav

    2018-02-07

    Cation complexation in water presents a unique challenge in calixarene chemistry, mostly due to the fact that a vast majority of calixarene-based cation receptors is not soluble in water or their solubility has been achieved by introducing functionalities capable of (de)protonation. Such an approach inevitably involves the presence of counterions which compete with target cations for the calixarene binding site, and also rather often requires the use of ion-containing buffer solutions in order to control the pH. Herein we devised a new strategy towards the solution of this problem, based on introducing carbohydrate units at the lower or upper rim of calix[4]arenes which comprise efficient cation binding sites. In this context, we prepared neutral, water-soluble receptors with secondary or tertiary amide coordinating groups, and studied their complexation with alkali metal cations in aqueous and methanol (for the comparison purpose) solutions. Complexation thermodynamics was quantitatively characterized by UV spectrometry and isothermal titration calorimetry, revealing that one of the prepared tertiary amide derivatives is capable of remarkably efficient (log K ≈ 5) and selective binding of sodium cations among alkali metal cations in water. Given the ease of the synthetic procedure used, and thus the variety of accessible analogues, this study can serve as a platform for the development of reagents for diverse purposes in aqueous media.

  13. Higher-order Cn dispersion coefficients for the alkali-metal atoms

    International Nuclear Information System (INIS)

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

    2005-01-01

    The van der Waals coefficients, from C 11 through to C 16 resulting from second-, third-, and fourth-order perturbation theory are estimated for the alkali-metal (Li, Na, K, and Rb) atoms. The dispersion coefficients are also computed for all possible combinations of the alkali-metal atoms and hydrogen. The parameters are determined from sum rules after diagonalizing a semiempirical fixed core Hamiltonian in a large basis. Comparisons of the radial dependence of the C n /r n potentials give guidance as to the radial regions in which the various higher-order terms can be neglected. It is seen that including terms up to C 10 /r 10 results in a dispersion interaction that is accurate to better than 1% whenever the inter-nuclear spacing is larger than 20a 0 . This level of accuracy is mainly achieved due to the fortuitous cancellation between the repulsive (C 11 ,C 13 ,C 15 ) and attractive (C 12 ,C 14 ,C 16 ) dispersion forces

  14. Structure factor of liquid alkali metals using a classical-plasma reference system

    Science.gov (United States)

    Pastore, G.; Tosi, M. P.

    1984-06-01

    This paper presents calculations of the liquid structure factor of the alkali metals near freezing, starting from the classical plasma of bare ions as reference liquid. The indirect ion-ion interaction arising from electronic screening is treated by an optimized random phase approximation (ORPA), imposing physical requirements as in the original ORPA scheme developed by Weeks, Chandler and Andersen for liquids with strongly repulsive core potentials. A comparison of the results with computer simulation data for a model of liquid rubidium shows that the present approach overcomes the well-known difficulties met in applying to these metals the standard ORPA based on a reference liquid of neutral hard spheres. The optimization scheme is also shown to be equivalent to a reduction of the range of the indirect interaction in momentum space, as proposed empirically in an earlier work. Comparison with experiment for the other alkalis shows that a good overall representation of the data can be obtained for sodium, potassium and cesium, but not for lithium, when one uses a very simple form of the electron-ion potential adjusted to the liquid compressibility. The small-angle scattering region is finally examined more carefully in the light of recent data of Waseda, with a view to possible refinements of the pseudopotential model.

  15. 3718-F Alkali Metal Treatment and Storage Facility Closure Plan. Revision 1

    Energy Technology Data Exchange (ETDEWEB)

    None

    1992-11-01

    The Hanford Site, located northwest of the city of Richland, Washington, houses reactors, chemical-separation systems, and related facilities used for the production of special nuclear materials, as well as for activities associated with nuclear energy development. The 300 Area of the Hanford Site contains reactor fuel manufacturing facilities and several research and development laboratories. The 3718-F Alkali Metal Treatment and Storage Facility (3718-F Facility), located in the 300 Area, was used to store and treat alkali metal wastes. Therefore, it is subject to the regulatory requirements for the storage and treatment of dangerous wastes. Closure will be conducted pursuant to the requirements of the Washington Administrative Code (WAC) 173-303-610 (Ecology 1989) and 40 CFR 270.1. Closure also will satisfy the thermal treatment facility closure requirements of 40 CFR 265.381. This closure plan presents a description of the 3718-F Facility, the history of wastes managed, and the approach that will be followed to close the facility. Only hazardous constituents derived from 3718-F Facility operations will be addressed.

  16. The role of oxygen in porous molybdenum electrodes for the alkali metal thermoelectric converter

    International Nuclear Information System (INIS)

    Williams, R.M.; Nagasubramanian, G.; Khanna, S.K.; Bankston, C.P.; Thakoor, A.P.; Cole, T.

    1986-01-01

    The alkali metal thermoelectric converter is a direct energy conversion device, utilizing a high alkali metal activity gradient to generate electrical power. Its operation is based on the unique ion conductive properties of beta''-alumina solid electrolyte. The major barrier to application of this device is identification of an electrode which can maintain optimum power densities for operation times of >10,000h. Thin, porous molybdenum electrodes have shown the best performance characteristics, but show a variety of time dependent phenomena, including eventual degradation to power densities 3-5 times lower than initial values. Several Na-Mo-O compounds, including Na/sub 2/MoO/sub 4/ and Na/sub 2/Mo/sub 3/O/sub 6/, are formed during AMTEC operation. These compounds may be responsible for enhanced Na transport through Mo electrodes via sodium ion conduction, and eventual performance degradation due to their volatilization and decomposition. No decomposition of beta''-alumina has been observed under simulated AMTEC operating conditions up to 1373 K. In this paper, we present a model for chemical reactions occurring in porous molybdenum electrodes. The model is based on thermochemical and kinetic data, known sodium-molybdenum-oxygen chemistry, x-ray diffraction analysis of molybdenum and molybdenum oxide electrodes, and the electrochemical behavior of the cell

  17. Saturated vapor pressure over molten mixtures of GaCl{sub 3} and alkali metal chlorides; Davlenie nasyshchennykh parov rasplavlennykh smesej CaCl{sub 3} s khloridami shchelochnykh metallov

    Energy Technology Data Exchange (ETDEWEB)

    Salyulev, A B; Smolenskij, V V; Moskalenko, N I [UrO RAN, Inst. Vysokotemperaturnoj Ehlektrokhimii, Elaterinburg (Russian Federation)

    2004-07-01

    Volatilities of GaCl{sub 3} and alkali metal chlorides over diluted (up to 3 mol %) solutions of GaCl{sub 3} in LiCl, NaCl, KCl, RbCl, and CsCl were measured at 1100 K by dynamic and indirect static methods. Chemical composition of saturated vapor over the mixed melts was determined. Partial pressures of the components were calculated. Their values depend essentially on specific alkali metal cation and on concentration of GaCl{sub 3}; their variation permits altering parameters of GaCl{sub 3} distillation from the salt melt in a wide range.

  18. New bonding configuration on Si(111) and Ge(111) surfaces induced by the adsorption of alkali metals

    DEFF Research Database (Denmark)

    Lottermoser, L.; Landemark, E.; Smilgies, D.M.

    1998-01-01

    The structure of the (3×1) reconstructions of the Si(111) and Ge(111) surfaces induced by adsorption of alkali metals has been determined on the basis of surface x-ray diffraction and low-energy electron diffraction measurements and density functional theory. The (3×1) surface results primarily f...... from the substrate reconstruction and shows a new bonding configuration consisting of consecutive fivefold and sixfold Si (Ge) rings in 〈11̅ 0〉 projection separated by channels containing the alkali metal atoms. © 1998 The American Physical Society...

  19. THE IMPACT OF HEAVY METAL CONCENTRATION ON

    African Journals Online (AJOL)

    Temitope

    Index of geo-accumulation (Igeo), revealed no contamination of the trace metals. ... (Hg), arsenic (As) and cadmium (Cd). ... standards, and to suggest the best remedial methods ..... metal concentrations in urban soil of Ibadan metropolis,.

  20. Characterization of alkali-metal and alkaline-earth nitrates by vibrational spectroscopy

    Directory of Open Access Journals (Sweden)

    Martínez, S.

    1992-09-01

    Full Text Available Infrared spectra of sodium and potassium alkaline-metal nitrates and magnesium and calcium alkali-earth nitrates in solid phase had been recorded in order to assign the fundamental bands. The influence of the dispersal médium (alkaline halide, employed in the solid sample preparation have been discussed. The quantitative measurements of the band in ten sities at 1387 cm-1 (present in the I.R. spectra of the four nitrates in KBr médium allowed us to determine the Lambert-Beer law slopes for each compound. These values are differents (bearing in mind experimental random errors, so we have could to affirm the nonexistence of solid solution between the nitrate and the alkaline halide médium. The L-B law obtained by us can be used for the Identification differentiation and quantitative analysis of these nitrates in solid phase, even if they are present in a very low concentration.

    Se ha realizado la asignación de los espectros infrarrojo (IR de los nitratos alcalinos, sódico y potásico, y de los alcalinotérreos, magnésico y cálcico, en estado sólido. Se ha visto la influencia del medio dispersante (haluro alcalino, utilizado en la preparación de la muestra sólida. El estudio cuantitativo de la absorbencia de la banda a 1.387 cm-1 (presente en los espectros IR de los cuatro nitratos en medio KBr permite determinar las pendientes de la Ley de Lambert-Beer Se comprueba que dichas pendientes son diferentes lo que conduce a poder afirmar que no se produce disolución sólida entre el KBr y el nitrato alcalino o alcalinotérreo. La determinación de la ley de Lambert-Beer permite la identificación y el análisis cualitativo y cuantitativo por espectroscopia IR de estos nitratos cuando están presentes en bajas concentraciones en muestras sólidas.

  1. James C. McGroddy Prize Talk: Superconductivity in alkali-metal doped Carbon-60

    Science.gov (United States)

    Hebard, Arthur

    2008-03-01

    Carbon sixty (C60), which was first identified in 1985 in laser desorption experiments, is unquestionably an arrestingly beautiful molecule. The high symmetry of the 12 pentagonal and 20 hexagonal faces symmetrically arrayed in a soccer-ball like structure invites special attention and continues to stimulate animated speculation. The availability in 1990 of macroscopic amounts of purified C60 derived from carbon-arc produced soot allowed the growth and characterization of both bulk and thin-film samples. Crystalline C60 is a molecular solid held together by weak van der Waals forces. The fcc structure has a 74% packing fraction thus allowing ample opportunity (26% available volume) for the intercalation of foreign atoms into the interstitial spaces of the three dimensional host. This opportunity catalyzed much of the collaborative work amongst chemists, physicists and materials scientists at Bell Laboratories, and resulted in the discovery of superconductivity in alkali-metal doped C60 with transition temperatures (Tc) in the mid-30-kelvin range. In this talk I will review how the successes of this initial team effort stimulated a worldwide collaboration between experimentalists and theorists to understand the promise and potential of an entirely new class of superconductors containing only two elements, carbon and an intercalated alkali metal. Although the cuprates still hold the record for the highest Tc, there are still open scientific questions about the mechanism that gives rise to such unexpectedly high Tc's in the non-oxide carbon-based superconductors. The doped fullerenes have unusual attributes (e.g., narrow electronic bands, high disorder, anomalous energy scales, and a tantalizing proximity to a metal-insulator Mott transition), which challenge conventional thinking and at the same time provide useful insights into new directions for finding even higher Tc materials. The final chapter of the `soot to superconductivity' story has yet to be written.

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

    International Nuclear Information System (INIS)

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

    2003-01-01

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

  3. Dispersion coefficients for H and He interactions with alkali-metal and alkaline-earth-metal atoms

    International Nuclear Information System (INIS)

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

    2003-01-01

    The van der Waals coefficients C 6 , C 8 , and C 10 for H and He interactions with the alkali-metal (Li, Na, K, and Rb) and alkaline-earth-metal (Be, Mg, Ca, and Sr) atoms are determined from oscillator strength sum rules. The oscillator strengths were computed using a combination of ab initio and semiempirical methods. The dispersion parameters generally agree with close to exact variational calculations for Li-H and Li-He at the 0.1% level of accuracy. For larger systems, there is agreement with relativistic many-body perturbation theory estimates of C 6 at the 1% level. These validations for selected systems attest to the reliability of the present dispersion parameters. About half the present parameters lie within the recommended bounds of the Standard and Certain compilation [J. Chem. Phys. 83, 3002 (1985)

  4. Investigation of anti-Relaxation coatings for alkali-metal vapor cells using surface science techniques

    Energy Technology Data Exchange (ETDEWEB)

    Seltzer, S. J.; Michalak, D. J.; Donaldson, M. H.; Balabas, M. V.; Barber, S. K.; Bernasek, S. L.; Bouchiat, M.-A.; Hexemer, A.; Hibberd, A. M.; Jackson Kimball, D. F.; Jaye, C.; Karaulanov, T.; Narducci, F. A.; Rangwala, S. A.; Robinson, H. G.; Shmakov, A. K.; Voronov, D. L.; Yashchuk, V. V.; Pines, A.; Budker, D.

    2010-10-11

    Many technologies based on cells containing alkali-metal atomic vapor benefit from the use of antirelaxation surface coatings in order to preserve atomic spin polarization. In particular, paraffin has been used for this purpose for several decades and has been demonstrated to allow an atom to experience up to 10?000 collisions with the walls of its container without depolarizing, but the details of its operation remain poorly understood. We apply modern surface and bulk techniques to the study of paraffin coatings in order to characterize the properties that enable the effective preservation of alkali spin polarization. These methods include Fourier transform infrared spectroscopy, differential scanning calorimetry, atomic force microscopy, near-edge x-ray absorption fine structure spectroscopy, and x-ray photoelectron spectroscopy. We also compare the light-induced atomic desorption yields of several different paraffin materials. Experimental results include the determination that crystallinity of the coating material is unnecessary, and the detection of C=C double bonds present within a particular class of effective paraffin coatings. Further study should lead to the development of more robust paraffin antirelaxation coatings, as well as the design and synthesis of new classes of coating materials.

  5. Alkali Metal Cation Affinities of Anionic Main Group-Element Hydrides Across the Periodic Table.

    Science.gov (United States)

    Boughlala, Zakaria; Fonseca Guerra, Célia; Bickelhaupt, F Matthias

    2017-10-05

    We have carried out an extensive exploration of gas-phase alkali metal cation affinities (AMCA) of archetypal anionic bases across the periodic system using relativistic density functional theory at ZORA-BP86/QZ4P//ZORA-BP86/TZ2P. AMCA values of all bases were computed for the lithium, sodium, potassium, rubidium and cesium cations and compared with the corresponding proton affinities (PA). One purpose of this work is to provide an intrinsically consistent set of values of the 298 K AMCAs of all anionic (XH n-1 - ) constituted by main group-element hydrides of groups 14-17 along the periods 2-6. In particular, we wish to establish the trend in affinity for a cation as the latter varies from proton to, and along, the alkali cations. Our main purpose is to understand these trends in terms of the underlying bonding mechanism using Kohn-Sham molecular orbital theory together with a quantitative bond energy decomposition analyses (EDA). © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. The role of alkali metal cations in the stabilization of guanine quadruplexes: why K(+) is the best.

    Science.gov (United States)

    Zaccaria, F; Paragi, G; Fonseca Guerra, C

    2016-08-21

    The alkali metal ion affinity of guanine quadruplexes has been studied using dispersion-corrected density functional theory (DFT-D). We have done computational investigations in aqueous solution that mimics artificial supramolecular conditions where guanine bases assemble into stacked quartets as well as biological environments in which telomeric quadruplexes are formed. In both cases, an alkali metal cation is needed to assist self-assembly. Our quantum chemical computations on these supramolecular systems are able to reproduce the experimental order of affinity of the guanine quadruplexes for the cations Li(+), Na(+), K(+), Rb(+), and Cs(+). The strongest binding is computed between the potassium cation and the quadruplex as it occurs in nature. The desolvation and the size of alkali metal cations are thought to be responsible for the order of affinity. Until now, the relative importance of these two factors has remained unclear and debated. By assessing the quantum chemical 'size' of the cation, determining the amount of deformation of the quadruplex needed to accommodate the cation and through the energy decomposition analysis (EDA) of the interaction energy between the cation and the guanines, we reveal that the desolvation and size of the alkali metal cation are both almost equally responsible for the order of affinity.

  7. Gradients of electric fields and effective charges in alkali metal permanganates on NMR data

    International Nuclear Information System (INIS)

    Tarasov, V.P.; Kirakosyan, G.A.; Meladze, M.A.; German, K.Eh.

    1993-01-01

    Pulse method of 55 Mn, 39 K, 87 Rb, 133 Cs NMR in 7.04 T field was used to study polycrystal permanganates of alkali metals KMnO 4 , RbMnO 4 , CsMnO 4 in 100-440 K range. Qaudrupole bond constants, parameters of tensor asymmetry of electric field gradient (EFG) and isotropic values of chemical shifts were determined in result of analysis of resonance line shape. Cation positions in RbMnO 4 and CsMnO 4 are characterized by two nonequivalent states with 1:1 occupation. Effective charges on oxygen and manganese atoms were calculated in the framework of point charge model, using structural data and experimental EFG values on cation nuclei

  8. Electrical resistivities and solvation enthalpies for solutions of salts in liquid alkali metals

    International Nuclear Information System (INIS)

    Hubberstey, P.; Dadd, A.T.

    1982-01-01

    An empirical correlation is shown to exist between the resistivity coefficients drho/dc for solutes in liquid alkali metals and the corresponding solvation enthalpies Usub(solvn) of the neutral gaseous solute species. Qualitative arguments based on an electrostatic solvation model in which the negative solute atom is surrounded by a solvation sphere of positive solvent ion cores are used to show that both parameters are dependent on the charge density of the solute atom and hence on the extent of charge transfer from solvent to solute. Thus as the charge density of the solute increases, the solvation enthalpy increases regularly and the resistivity coefficients pass through a maximum to give the observed approximately parabolic drho/dc versus Usub(solvn) relationship. (Auth.)

  9. The extraction of alkali metal picrates with dibenzo-18-crown-6

    International Nuclear Information System (INIS)

    Sadakane, Akira; Toei, Kyoji; Iwachido, Tadashi.

    1975-01-01

    The distribution of alkali metal picrate complexes of macrocyclic polyether (dibenzo-18-crown-6) between water and benzene was investigated. The polyether-cation complexes were found to be of a 1:1 stoichiometry. The formation of 2:1 complexes was recognized for Rb and Cs in a large excess of the polyether. The extractability of complex cation-picrate ion-pairs decreases in this sequence: K>Rb>Cs>Na>Li. The values of the extraction constants (log Ksub(ex)) were determined to be 4.65, 3.75, and 3.07 for K, Rb, and Cs compounds respectively. The thermodynamic quantities for the extraction process were calculated from the change in the extraction constants with the temperature. The extraction reactions are all exothermic, accompanied by an entropy decrease. (auth.)

  10. The alkali metal thermoelectric converter /AMTEC/ - A new direct energy conversion technology for aerospace power

    Science.gov (United States)

    Bankston, C. P.; Cole, T.; Jones, R.; Ewell, R.

    1982-01-01

    A thermally regenerative electrochemical device for the direct conversion of heat to electrical energy, the alkali metal thermoelectric converter (AMTEC), is characterized by potential efficiencies on the order of 15-40% and possesses no moving parts, making it a candidate for space power system applications. Device conversion efficiency is projected on the basis of experimental voltage vs current curves exhibiting power densities of 0.7 W/sq cm and measured electrode efficiencies of up to 40%. Preliminary radiative heat transfer measurements presented may be used in an investigation of methods for the reduction of AMTEC parasitic radiation losses. AMTEC assumes heat input and rejection temperatures of 900-1300 K and 400-800 K, respectively. The working fluid is liquid sodium, and the porous electrode employed is of molybdenum.

  11. Solubility and solvation of alkali metal perchlorates, tetramethyl and tetraethylammonium in aqua-ketone solvents

    International Nuclear Information System (INIS)

    Kireev, A.A.; Pak, T.G.; Bezuglyj, V.D.

    1998-01-01

    The KClO 4 , RbClO 4 , CsClO 4 , (CH 3 ) 4 NClO 4 , (C 2 H 5 ) 4 NClO 4 solubility in water and water-acetone, water-methylethylketone mixtures is determined through the method of isothermal saturation at 298.15 K. Dissociation constants of alkali metals perchlorates in acetone and its 90% mixtures (by volume) are determined conductometrically. Solubility products and standard energies of the Gibbs transfer of the studied electrolytes from water into water-acetone and water-methylethylketone solvents. It is established that the Gibbs standard energies of Na + , K + , Rb + and Cs + cations transfer from water to water-ketone solvents are close to each other. It is shown that the effect of acetone and methylethylketone on solvation of the studied electrolytes is practically similar

  12. Hydrogen generation using silicon nanoparticles and their mixtures with alkali metal hydrides

    Science.gov (United States)

    Patki, Gauri Dilip

    mole of Si. We compare our silicon nanoparticles (˜10nm diameter) with commercial silicon nanopowder (rate upon decreasing the particle size to 10 nm was even greater than would be expected based upon the increase in surface area. While specific surface area increased by a factor of 6 in going from rate increased by a factor of 150. However, in all cases, silicon requires a base (e.g. NaOH, KOH, hydrazine) to catalyze its reaction with water. Metal hydrides are also promising hydrogen storage materials. The optimum metal hydride would possess high hydrogen storage density at moderate temperature and pressure, release hydrogen safely and controllably, and be stable in air. Alkali metal hydrides have high hydrogen storage density, but exhibit high uncontrollable reactivity with water. In an attempt to control this explosive nature while maintaining high storage capacity, we mixed our silicon nanoparticles with the hydrides. This has dual benefits: (1) the hydride- water reaction produces the alkali hydroxide needed for base-catalyzed silicon oxidation, and (2) dilution with 10nm coating by, the silicon may temper the reactivity of the hydride, making the process more controllable. Initially, we analyzed hydrolysis of pure alkali metal hydrides and alkaline earth metal hydrides. Lithium hydride has particularly high hydrogen gravimetric density, along with faster reaction kinetics than sodium hydride or magnesium hydride. On analysis of hydrogen production we found higher hydrogen yield from the silicon nanoparticle—metal hydride mixture than from pure hydride hydrolysis. The silicon-hydride mixtures using our 10nm silicon nanoparticles produced high hydrogen yield, exceeding the theoretical yield. Some evidence of slowing of the hydride reaction rate upon addition of silicon nanoparticles was observed.

  13. First-principles study of the alkali earth metal atoms adsorption on graphene

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Minglei [School of Mechanical Engineering, Southeast University, Nanjing 211189, Jiangsu (China); Tang, Wencheng, E-mail: 101000185@seu.edu.cn [School of Mechanical Engineering, Southeast University, Nanjing 211189, Jiangsu (China); Ren, Qingqiang [State Key Laboratory of Powder Metallurgy, Central South University, Changsha 410083, Hunan (China); Wang, Sake [Department of Physics, Southeast University, Nanjing 210096, Jiangsu (China); JinYu [School of Materials Science and Engineering, Southeast University, Nanjing 211189, Jiangsu (China); Jiangsu Key Laboratory of Advanced Metallic Materials, Southeast University, Nanjing 211189, Jiangsu (China); Du, Yanhui [School of Mechanical Engineering, Southeast University, Nanjing 211189, Jiangsu (China); Zhang, Yajun [Department of Engineering Mechanics, School of Aeronautics and Astronautics, Zhejiang University, Hangzhou 310027, Zhejiang (China)

    2015-11-30

    Graphical abstract: - Highlights: • The adsorption of Be and Mg adatoms on graphene is physisorption. • Ca, Sr, and Ba adatoms bond ionically to graphene and the most stable adsorption site for them is hollow site. • The zero band gap semiconductor graphene becomes metallic and magnetic after the adsorption of Ca, Sr, and Ba adatoms. - Abstract: Geometries, electronic structures, and magnetic properties for alkali earth metal atoms absorbed graphene have been studied by first-principle calculations. For Be and Mg atoms, the interactions between the adatom and graphene are weak van der Waals interactions. In comparison, Ca, Sr and Ba atoms adsorption on graphene exhibits strong ionic bonding with graphene. We found that these atoms bond to graphene at the hollow site with a significant binding energy and large electron transfer. It is intriguing that these adatoms may induce important changes in both the electronic and magnetic properties of graphene. Semimetal graphene becomes metallic and magnetic due to n-type doping. Detailed analysis shows that the s orbitals of these adatoms should be responsible for the arising of the magnetic moment. We believe that our results are suitable for experimental exploration and useful for graphene-based nanoelectronic and data storage.

  14. First-principles study of the alkali earth metal atoms adsorption on graphene

    International Nuclear Information System (INIS)

    Sun, Minglei; Tang, Wencheng; Ren, Qingqiang; Wang, Sake; JinYu; Du, Yanhui; Zhang, Yajun

    2015-01-01

    Graphical abstract: - Highlights: • The adsorption of Be and Mg adatoms on graphene is physisorption. • Ca, Sr, and Ba adatoms bond ionically to graphene and the most stable adsorption site for them is hollow site. • The zero band gap semiconductor graphene becomes metallic and magnetic after the adsorption of Ca, Sr, and Ba adatoms. - Abstract: Geometries, electronic structures, and magnetic properties for alkali earth metal atoms absorbed graphene have been studied by first-principle calculations. For Be and Mg atoms, the interactions between the adatom and graphene are weak van der Waals interactions. In comparison, Ca, Sr and Ba atoms adsorption on graphene exhibits strong ionic bonding with graphene. We found that these atoms bond to graphene at the hollow site with a significant binding energy and large electron transfer. It is intriguing that these adatoms may induce important changes in both the electronic and magnetic properties of graphene. Semimetal graphene becomes metallic and magnetic due to n-type doping. Detailed analysis shows that the s orbitals of these adatoms should be responsible for the arising of the magnetic moment. We believe that our results are suitable for experimental exploration and useful for graphene-based nanoelectronic and data storage.

  15. Activation energy of tracer-diffusion of manganese ions (Mn2+) in alkali metal chloride solutions

    International Nuclear Information System (INIS)

    Borhade, A.V.

    2000-01-01

    The activation energy of the tracer diffusion of Mn 2+ ions in alkali chloride solutions (0.1M) has been determined in agar gel medium (1-2.5%) over the temperature range of 25 - 45 deg C. The decrease in the value of the Arrhenius parameters, E and D 0 , with gel percentage is explained on the basis of the transition state theory. Further, the activation energy as a function of electrolyte concentration is also investigated using 1% agar gel in the temperature range of 25 - 45 deg C. In both the cases, the activation energies are determined by the least square fitting of the diffusion coefficient data obtained at various temperatures through the Arrhenius plots. (author)

  16. The impact of alkali metal halide electron donor complexes in the photocatalytic degradation of pentachlorophenol

    Energy Technology Data Exchange (ETDEWEB)

    Khuzwayo, Z., E-mail: zack.khuzwayo@up.ac.za; Chirwa, E.M.N

    2017-01-05

    Highlights: • Facilitation of photocatalysis using simple metal-halides as VB hole scavengers. • Recombination prevention by coupled valence and conduction band approaches. • Determination of anions critical levels beyond which process retardation occurs. • Determination of the photocatalytic process rate of reaction kinetics. - Abstract: The performance of photocatalytic oxidation of chemical pollutants is subjected to the presence of anion complexes in natural waters. This study investigated the influence of alkali metal (Na{sup +} (sodium), K{sup +} (potassium)) halides (Cl{sup −} (chloride), Br{sup −} (bromide), F{sup −} (fluoride)) as inorganic ion sources in the photocatalytic degradation of pentachlorophenol (PCP) in batch systems. It was found that the exclusive presence of halides in the absence of an electron acceptor adequately facilitated the photocatalyst process below critical levels of anion populations, where beyond the critical point the process was significantly hindered. Below the determined critical point, the performance in some cases near matches that of the facilitation of the photocatalytic process by exclusive oxygen, acting as an electron scavenger. The coupling of halide ions and oxygenation presented significantly improved photo-oxidation of PCP, this was confirmed by the inclusion of formic acid as a comparative electron donor. The Langmuir-Hinshelwood kinetic expression was used to calculate the performance rate kinetics. The probable impact of the halide anions was discussed with regards to the process of electron hole pair recombination prevention.

  17. Potential-modulated intercalation of alkali cations into metal hexacyanoferrate coated electrodes. 1998 annual progress report

    International Nuclear Information System (INIS)

    Schwartz, D.T.

    1998-01-01

    'This program is studying potential-driven cation intercalation and deintercalation in metal hexacyanoferrate compounds, with the eventual goal of creating materials with high selectivity for cesium separations and long cycle lifetimes. The separation of radiocesium from other benign cations has important implications for the cost of processing a variety of cesium contaminated DOE wasteforms. This report summarizes results after nine months of work. Much of the initial efforts have been directed towards quantitatively characterizing the selectivity of nickel hexacyanoferrate derivatized electrodes for intercalating cesium preferentially over other alkali metal cations. Using energy dispersive xray spectroscopy (ex-situ, but non-destructive) and ICP analysis (ex-situ and destructive), the authors have demonstrated that the nickel hexacyanoferrate lattice has a strong preference for intercalated cesium over sodium. For example, when ions are reversibly loaded into a nickel hexacyanoferrate thin film from a solution containing 0.9999 M Na + and 0.0001 M Cs + , the film intercalates 40% as much Cs + as when loaded from pure 1 M Cs + containing electrolyte (all electrolytes use nitrates as the common anion). The authors have also shown that, contrary to the common assumptions found in the literature, a significant fraction of the thin film is not active initially. A new near infrared laser has been purchased and is being added to the Raman spectroscopy facilities to allow in-situ studies of the intercalation processes.'

  18. Special features of the formation of high-conductivity phases of halides of alkali metals at superhigh pressures

    International Nuclear Information System (INIS)

    Babushkin, A.N.; Babushkina, G.V.

    1999-01-01

    The halides of alkali metals are the simplest crystals with the ionic nature of chemical bonds and are used widely as modelling materials in high-pressure physics. As a result of previous theoretical and experimental (optical, structural, electro-physical and shock-waves) investigations it was shown that these materials may be characterised by the overlapping of the valency and conduction bands and by the formation of groups of free charge carriers at pressures of the megabaric level. However, the authors know of no data on the direct investigations of the electrophysical properties of the halides of alkali metals at such high static pressures. The end of this investigation was to examine the temperature dependences of the electrical conductivity and thermal EMF of halides of alkali metals AX (A = Na, K, Rb, Cs, X = Cl, Br, I) in a wide temperature range at pressures from 10 to 50 GPa in order to reveal the general leisure since governing the change of their electronic structures, in particular, the transition to the state with the activation-type or metallic conductivity

  19. The inhibitory effect of different concentrations of KH902 eye drops on corneal neovascularization induced by alkali burn

    Directory of Open Access Journals (Sweden)

    Yan Wu

    2017-01-01

    Full Text Available Purpose: The aim of this study was to evaluate the inhibitory effect of different concentrations of KH902 eye drops on rabbit corneal neovascularization (CNV induced by alkali burn. Methods: Forty-eight adult rabbits were randomized into four groups after alkali burning: Group A (2.5 mg/ml, Group B (5 mg/ml, and Group C (10 mg/ml by different concentrations of KH902 eye drops and Group D by saline solution as control with three times a day for 2 weeks. At days 7, 14, and 28, the anterior segment photographs, confocal microscopy, and histopathology were performed to evaluate corneal opacity, neovascularization, inflammatory cell density, vessel size, and edema. Immunohistochemistry was applied to analyze the vascular endothelial growth factor (VEGF level. Results: (1 The CNV in the medicine-treated groups showed a reduction without obvious corneal side effects histologically. (2 Compared to the control group, the three medicine-treated groups showed a reduction in the VEGF levels and CNV areas on days 7, 14, and 28 and in the inflammatory cell density on days 14 and 28 (P 0.05. Conclusion: KH902 eye drops in lower concentration showed an obvious reduction of the CNV growing for rabbit corneal alkali burn without side effects.

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

    International Nuclear Information System (INIS)

    Yasuda, Seiji; Kakiyama, Hitoo

    1975-01-01

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

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

    International Nuclear Information System (INIS)

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

    2009-02-01

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

  2. Correction: A binary catalyst system of a cationic Ru-CNC pincer complex with an alkali metal salt for selective hydroboration of carbon dioxide.

    Science.gov (United States)

    Ng, Chee Koon; Wu, Jie; Hor, T S Andy; Luo, He-Kuan

    2016-12-22

    Correction for 'A binary catalyst system of a cationic Ru-CNC pincer complex with an alkali metal salt for selective hydroboration of carbon dioxide' by Chee Koon Ng et al., Chem. Commun., 2016, 52, 11842-11845.

  3. Ground state of the polar alkali-metal-atom-strontium molecules: Potential energy curve and permanent dipole moment

    International Nuclear Information System (INIS)

    Guerout, R.; Aymar, M.; Dulieu, O.

    2010-01-01

    In this study, we investigate the structure of the polar alkali-metal-atom-strontium diatomic molecules as possible candidates for the realization of samples of ultracold polar molecular species not yet investigated experimentally. Using a quantum chemistry approach based on effective core potentials and core polarization potentials, we model these systems as effective three-valence-electron systems, allowing for calculation of electronic properties with full configuration interaction. The potential curve and the permanent dipole moment of the 2 Σ + ground state are determined as functions of the internuclear distance for LiSr, NaSr, KSr, RbSr, and CsSr molecules. These molecules are found to exhibit a significant permanent dipole moment, though smaller than those of the alkali-metal-atom-Rb molecules.

  4. Alkali metals effect on the diffusion mobility of fluorine base of GaF3 and IF3

    International Nuclear Information System (INIS)

    Bakhvalov, S.G.; Livshits, A.I.; Shubin, A.A.; Petrova, E.M.

    2000-01-01

    The structure of fluoride glasses on the basis of GaF 3 and InF 3 is studied. The glass lattice bond, i.e. its uniformity or nonuniformity, was analyzed through introduction of alkali metal (LiF, NaF, RbF, CsF) into the composition of fluoride glasses. The consecutive replacement of a modification by alkali metal fluorides made it possible to establish the nonuniformity of the glass-forming lattice by studying through the NMR 19 F method. It may be confirmed by comparing the fluorine ions dynamic behavior in the glasses, based on the indium and gallium trifluorides, that the glass fluorine subsystem on the In basis is more mobile [ru

  5. Mechanical filter for alkali atoms

    CERN Document Server

    Toporkov, D K

    2000-01-01

    A device for separating gases of different mass is discussed. Such a device could be used in a laser-driven spin exchange source of polarized hydrogen atoms to reduce the contamination of alkali atoms. A Monte Carlo simulation has shown that the suggested apparatus based on a commercial turbo pump could reduce by a factor of 10-15 the concentration of the alkali-metal atoms in the hydrogen flow from a laser driven polarized source. This would greatly enhance the effective polarization in hydrogen targets.

  6. Amperometric Ion-Selective Electrode for Alkali Metal Cations Based on a Room-Temperature Ionic Liquid Membrane

    Czech Academy of Sciences Publication Activity Database

    Langmaier, Jan; Trojánek, Antonín; Samec, Zdeněk

    2009-01-01

    Roč. 21, 17-18 (2009), s. 1977-1983 ISSN 1040-0397 R&D Projects: GA MŠk ME08098; GA AV ČR IAA400400704 Institutional research plan: CEZ:AV0Z40400503 Keywords : room-temperature ionic liquid * alkali metals * Crown ether * cyclic voltammetry * amperometric ion-selective elkectrode Subject RIV: CG - Electrochemistry Impact factor: 2.630, year: 2009

  7. Preparation of Cyclic Urethanes from Amino Alcohols and Carbon Dioxide Using Ionic Liquid Catalysts with Alkali Metal Promoters

    OpenAIRE

    Masahiko Arai; Hisanori Senboku; Hiroshi Kanamaru; Shin-ichiro Fujita

    2006-01-01

    Several ionic liquids were applied as catalysts for the synthesis of cyclic urethanes from amino alcohols and pressurized CO2 in the presence of alkali metal compounds as promoters. A comparative study was made for the catalytic performance using different ionic liquids, substrates, promoters, and pressures. The optimum catalytic system was BMIM-Br promoted by K2CO3, which, for 1-amino-2-propanol, produced cyclic urethane in 40% yield with a smaller yield of substituted cyclic ...

  8. Research Investigation Directed Toward Extending the Useful Range of the Electromagnetic Spectrum. [atomic spectra and electronic structure of alkali metals

    Science.gov (United States)

    Hartmann, S. R.; Happer, W.

    1974-01-01

    The report discusses completed and proposed research in atomic and molecular physics conducted at the Columbia Radiation Laboratory from July 1972 to June 1973. Central topics described include the atomic spectra and electronic structure of alkali metals and helium, molecular microwave spectroscopy, the resonance physics of photon echoes in some solid state systems (including Raman echoes, superradiance, and two photon absorption), and liquid helium superfluidity.

  9. A numerical study of spin-dependent organization of alkali-metal atomic clusters using density-functional method

    Energy Technology Data Exchange (ETDEWEB)

    Liu Xuan, E-mail: liu.x.ad@m.titech.ac.jp; Ito, Haruhiko [Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology (Japan); Torikai, Eiko [Interdisciplinary Graduate School of Medicine and Engineering, University of Yamanashi (Japan)

    2012-08-15

    We calculate the different geometric isomers of spin clusters composed of a small number of alkali-metal atoms using the UB3LYP density-functional method. The electron density distribution of clusters changes according to the value of total spin. Steric structures as well as planar structures arise when the number of atoms increases. The lowest spin state is the most stable and Li{sub n}, Na{sub n}, K{sub n}, Rb{sub n}, and Cs{sub n} with n = 2-8 can be formed in higher spin states. In the highest spin state, the preparation of clusters depends on the kind and the number of constituent atoms. The interaction energy between alkali-metal atoms and rare-gas atoms is smaller than the binding energy of spin clusters. Consequently, it is possible to self-organize the alkali-metal-atom clusters on a non-wetting substrate coated with rare-gas atoms.

  10. Element specificity of ortho-positronium annihilation for alkali-metal loaded SiO2 glasses.

    Science.gov (United States)

    Sato, K; Hatta, T

    2015-03-07

    Momentum distributions associated with ortho-positronium (o-Ps) pick-off annihilation photon are often influenced by light elements, as, e.g., carbon, oxygen, and fluorine. This phenomenon, so-called element specificity of o-Ps pick-off annihilation, has been utilized for studying the elemental environment around the open spaces. To gain an insight into the element specificity of o-Ps pick-off annihilation, the chemical shift of oxygen 1s binding energy and the momentum distributions associated with o-Ps pick-off annihilation were systematically investigated for alkali-metal loaded SiO2 glasses by means of X-ray photoelectron spectroscopy and positron-age-momentum correlation spectroscopy, respectively. Alkali metals introduced into the open spaces surrounded by oxygen atoms cause charge transfer from alkali metals to oxygen atoms, leading to the lower chemical shift for the oxygen 1s binding energy. The momentum distribution of o-Ps localized into the open spaces is found to be closely correlated with the oxygen 1s chemical shift. This correlation with the deepest 1s energy level evidences that the element specificity of o-Ps originates from pick-off annihilation with orbital electrons, i.e., dominantly with oxygen 2p valence electrons and s electrons with lower probability.

  11. Noble metal extraction and sorption concentrating

    International Nuclear Information System (INIS)

    Petrukhin, O.M.; Malofeeva, G.I.

    1985-01-01

    Works performed in the USSR Academy of Sciences GEOCHI laboratory of extraction methods and devoted to selectivity problems of extraction and sorption methods of platinum metal, cadmium and indium concentrating in analytical chemistry are discussed. On choosing complexino. reagent main attention is paid to the selectivity variation based on different stability of metal complexes. Platinum metals are extracted in the form of ion associates when usinq hard, mainly oxyqen-containing, extractants. Coordination-solvated metal complexes are extracted white usinq extractants containing sulfur, trivalent phosphorus and aromatic nitroqen as donor anions. Selectivity is maximum for sulfur- and nitroren-containinq extractants and sorbents. In case of the group extraction of platinum metals sorption is preferable and in case of selective extraction of individual metals, especially, in case of need of relative concentratinq extraction is preferable

  12. Biodiesel production using alkali earth metal oxides catalysts synthesized by sol-gel method

    Directory of Open Access Journals (Sweden)

    Majid Mohadesi

    2014-03-01

    Full Text Available Biodiesel fuel is considered as an alternative to diesel fuel. This fuel is produced through transesterification reactions of vegetable oils or animal fat by alcohols in the presence of different catalysts. Recent studies on this process have shown that, basic heterogeneous catalysts have a higher performance than other catalysts. In this study different alkali earth metal oxides (CaO, MgO and BaO doped SiO2 were used as catalyst for the biodiesel production process. These catalysts were synthesis by using the sol-gel method. A transesterification reaction was studied after 8h by mixing corn oil, methanol (methanol to oil molar ratio of 16:1, and 6 wt. % catalyst (based on oil at 60oC and 600rpm. Catalyst loading was studied for different catalysts ranging in amounts from 40, 60 to 80%. The purity and yield of the produced biodiesel for 60% CaO/SiO2 was higher than other catalysts and at 97.3% and 82.1%, respectively.

  13. Alkali Metal Modification of Silica Gel-Based Stationary Phase in Gas Chromatography

    Directory of Open Access Journals (Sweden)

    Ashraf Yehia El-Naggar

    2013-01-01

    Full Text Available Modification of the precipitated silica gel was done by treatment with alkali metal (NaCl before and after calcination. The silica surfaces before and after modification were confirmed by infrared spectroscopy in order to observe the strength and abundance of the acidic surface OH group bands which play an important role in the adsorption properties of polar and nonpolar solutes. The surface-modified silica gels were tested as GC solid stationary phases in terms of the separation efficiency for various groups of non-polar and polar solutes. Also, thermodynamic parameters (ΔH, ΔG, and ΔS were determined using n-hexane as a probe in order to show the adsorbate-adsorbent interaction. It was observed that the non-polar solutes could be separated Independent on the reactivity and porosity of the silica surfaces. The efficiency of the surface-modified silica gels to separate the aromatic hydrocarbons seemed to be strongly influenced by the density of the surface hydroxyls.

  14. The characterisation of vapour-phase alkali metal-tellurium-oxygen species

    International Nuclear Information System (INIS)

    Gomme, R.A.; Ogden, J.S.; Bowsher, B.R.

    1986-10-01

    Detailed assessments of hypothetical severe accidents in light water reactors require the identification of the chemical forms of the radionuclides in order to determine their transport characteristics. Caesium and tellurium are important volatile fission products in accident scenarios. This report describes detailed studies to characterise the chemical species that vaporise from heated mixtures of various alkali metal-tellurium-oxygen systems. The molecular species were characterised by a combination of quadrupole mass spectrometry and matrix isolation-infrared spectroscopy undertaken in conjunction with experiments involving oxygen-18 substitution. The resulting spectra were interpreted in terms of a vapour-phase molecule with the stoichiometry M 2 TeO 3 (M = K,Rb,Cs) for M/Te molecular ratios of ∼ 2, and polymeric species for ratios < 2. This work has demonstrated the stability of caesium tellurite. The formation of this relatively low-volatility, water-soluble species could significantly modify the transport and release of caesium and tellurium. The data presented in this report should allow more comprehensive thermodynamic calculations to be undertaken that assist in the quantification of fission product behaviour during severe reactor accidents. (author)

  15. Cobalt(2) and nickel(2) tris-acetylacetonates with alkali metal cations in outer sphere

    International Nuclear Information System (INIS)

    Steblyanko, A.Yu.; Grigor'ev, A.N.; Martynenko, L.I.

    1996-01-01

    Anhydrous tris-acetylacetonates of Co(2) and Ni(2) with alkali metal cations in outer sphere were synthesized and investigated by different physicochemical methods. Chemical analysis and IR-spectroscopy show, that complex composition corresponds to the formula Eh[MA 3 ] (where Eh + - Li + , Na + , K + , Rb + , Cs + ; M - Co(2), Ni(2); A - - acetyacetonate-ion). Eh[MA 3 ] heating in vacuum leads to transition of volatile Co(2) and Ni(2) acetylacetonates to gaseous phase. The data of photoelectron spectroscopy and vacuum sublimation show, that Li[MA 3 ] is transformed to gaseous phase congruently and only partially dissociates to EhA and MA 2 . Li[MA 3 ] and Cs[MA 3 ] are characterized by the lowest thermal stability at atmospheric pressure. Low stability of Li[MA 3 ] is related with detachment of one of A - radical from [MA 3 ] complex anion by Li + cation under conditions, when LiA and Li[MA 3 ] are volatile. 11 refs.; 2 figs.; 3 tabs

  16. The influence of alkali metal impurities on the uranium dioxide hydrofluorination reaction

    International Nuclear Information System (INIS)

    Ponelis, A.A.

    1989-01-01

    The effect alkali metal impurities (sodium and potassium) in the uranium dioxide (UO 2 ) feed material have on the conversion to uraniumtetrafluoride (UF 4 ) was examined. A direct correlation exists between impurity level and sintering with concomitant reduced conversion. The sintering mechanism is attributable to decreased specific surface area. The typical 'die-off' of reaction or conversion can be explained in terms of increased particle growth rather than an arbitray zero porosity function. Hydrofluorination temperatures varied from 250 to 650 degrees C using pellets varying in size from 0.42 mm to 10 mm. Scanning electron microscope photographs show clearly the particle or grain growth in the pellet as well as the increased size with impurity level. A new dimensionless constant, N KP , is defined to facilitate explanation of the reaction as a function of pellet radius. N KP is defined as the ratio of pellet diffusion resistance to particle diffusion resistance of the reacting HF gas. At high values of this number (N KP >40) the conversion is limited to the outer periphery of the pellet while at low values (N KP KP at higher reaction temperatures which means that the particle diffusion resistance increases with increasing impurity level and results in easier sintering of these materials. 53 refs., 206 figs., 94 tabs

  17. Alkali Metal Cation versus Proton and Methyl Cation Affinities: Structure and Bonding Mechanism.

    Science.gov (United States)

    Boughlala, Zakaria; Fonseca Guerra, Célia; Bickelhaupt, F Matthias

    2016-06-01

    We have analyzed the structure and bonding of gas-phase Cl-X and [HCl-X](+) complexes for X(+)= H(+), CH3 (+), Li(+), and Na(+), using relativistic density functional theory (DFT). We wish to establish a quantitative trend in affinities of the anionic and neutral Lewis bases Cl(-) and HCl for the various cations. The Cl-X bond becomes longer and weaker along X(+) = H(+), CH3 (+), Li(+), and Na(+). Our main purpose is to understand the heterolytic bonding mechanism behind the intrinsic (i.e., in the absence of solvent) alkali metal cation affinities (AMCA) and how this compares with and differs from those of the proton affinity (PA) and methyl cation affinity (MCA). Our analyses are based on Kohn-Sham molecular orbital (KS-MO) theory in combination with a quantitative energy decomposition analysis (EDA) that pinpoints the importance of the different features in the bonding mechanism. Orbital overlap appears to play an important role in determining the trend in cation affinities.

  18. Recent advances in Alkali Metal Thermoelectric Converter (AMTEC) electrode performance and modeling. [for space power systems

    Science.gov (United States)

    Bankston, C. P.; Williams, R. M.; Jeffries-Nakamura, B.; Loveland, M. E.; Underwood, M. L.

    1988-01-01

    The Alkali Metal Thermoelectric Converter (AMTEC) is a direct energy conversion device, utilizing a high sodium vapor pressure or activity ratio across a beta-double prime-alumina solid electrolyte (BASE). This paper describes progress on the remaining scientific issue which must be resolved to demonstrate AMTEC feasibility for space power systems: a stable, high power density electrode. Two electrode systems have recently been discovered at JPL that now have the potential to meet space power requirements. One of these is a very thin sputtered molybdenum film, less than 0.5 micron thick, with overlying current collection grids. This electrode has experimentally demonstrated stable performance at 0.4-0.5 W/sq cm for hundreds of hours. Recent modeling results show that at least 0.7 W/sq cm can be achieved. The model of electrode performance now includes all loss mechanisms, including charge transfer resistances at the electrode/electrolyte interface. A second electrode composition, cosputtered platinum/tungsten, has demonstrated 0.8 W/sq cm for 160 hours. Systems studies show that a stable electrode performance of 0.6 W/sq cm will enable high efficiency space power systems.

  19. Oxygen redox chemistry without excess alkali-metal ions in Na2/3[Mg0.28Mn0.72]O2.

    Science.gov (United States)

    Maitra, Urmimala; House, Robert A; Somerville, James W; Tapia-Ruiz, Nuria; Lozano, Juan G; Guerrini, Niccoló; Hao, Rong; Luo, Kun; Jin, Liyu; Pérez-Osorio, Miguel A; Massel, Felix; Pickup, David M; Ramos, Silvia; Lu, Xingye; McNally, Daniel E; Chadwick, Alan V; Giustino, Feliciano; Schmitt, Thorsten; Duda, Laurent C; Roberts, Matthew R; Bruce, Peter G

    2018-03-01

    The search for improved energy-storage materials has revealed Li- and Na-rich intercalation compounds as promising high-capacity cathodes. They exhibit capacities in excess of what would be expected from alkali-ion removal/reinsertion and charge compensation by transition-metal (TM) ions. The additional capacity is provided through charge compensation by oxygen redox chemistry and some oxygen loss. It has been reported previously that oxygen redox occurs in O 2p orbitals that interact with alkali ions in the TM and alkali-ion layers (that is, oxygen redox occurs in compounds containing Li + -O(2p)-Li + interactions). Na 2/3 [Mg 0.28 Mn 0.72 ]O 2 exhibits an excess capacity and here we show that this is caused by oxygen redox, even though Mg 2+ resides in the TM layers rather than alkali-metal (AM) ions, which demonstrates that excess AM ions are not required to activate oxygen redox. We also show that, unlike the alkali-rich compounds, Na 2/3 [Mg 0.28 Mn 0.72 ]O 2 does not lose oxygen. The extraction of alkali ions from the alkali and TM layers in the alkali-rich compounds results in severely underbonded oxygen, which promotes oxygen loss, whereas Mg 2+ remains in Na 2/3 [Mg 0.28 Mn 0.72 ]O 2 , which stabilizes oxygen.

  20. Design and Test of Advanced Thermal Simulators for an Alkali Metal-Cooled Reactor Simulator

    Science.gov (United States)

    Garber, Anne E.; Dickens, Ricky E.

    2011-01-01

    The Early Flight Fission Test Facility (EFF-TF) at NASA Marshall Space Flight Center (MSFC) has as one of its primary missions the development and testing of fission reactor simulators for space applications. A key component in these simulated reactors is the thermal simulator, designed to closely mimic the form and function of a nuclear fuel pin using electric heating. Continuing effort has been made to design simple, robust, inexpensive thermal simulators that closely match the steady-state and transient performance of a nuclear fuel pin. A series of these simulators have been designed, developed, fabricated and tested individually and in a number of simulated reactor systems at the EFF-TF. The purpose of the thermal simulators developed under the Fission Surface Power (FSP) task is to ensure that non-nuclear testing can be performed at sufficiently high fidelity to allow a cost-effective qualification and acceptance strategy to be used. Prototype thermal simulator design is founded on the baseline Fission Surface Power reactor design. Recent efforts have been focused on the design, fabrication and test of a prototype thermal simulator appropriate for use in the Technology Demonstration Unit (TDU). While designing the thermal simulators described in this paper, effort were made to improve the axial power profile matching of the thermal simulators. Simultaneously, a search was conducted for graphite materials with higher resistivities than had been employed in the past. The combination of these two efforts resulted in the creation of thermal simulators with power capacities of 2300-3300 W per unit. Six of these elements were installed in a simulated core and tested in the alkali metal-cooled Fission Surface Power Primary Test Circuit (FSP-PTC) at a variety of liquid metal flow rates and temperatures. This paper documents the design of the thermal simulators, test program, and test results.

  1. Effects of alkali and alkaline earth metals on nitrogen release during temperature programmed pyrolysis of coal

    Energy Technology Data Exchange (ETDEWEB)

    Ohtsuka, Y.; Wu, Z.; Furimsky, E. [Tohoku University, Sendai (Japan). Inst. for Chemical Reaction Science

    1997-11-01

    The paper reports that the formation of HCN, NH{sub 3} and N{sub 2} during fixed-bed pyrolysis at 10 K min{sup -1} has been studied using coal samples after partial demineralization followed by addition of metal hydroxides from aqueous systems. Without additives, NH{sub 3} is the predominant product at {le} 700{degree}C, showing the two peaks in the formation rate profile, whereas N{sub 2} is the only product at {ge} 800{degree}C. The presence of NaOH, KOH and Ca(OH){sub 2} promotes considerable NH{sub 3} formation between 450 and 600{degree}C, but in contrast suppresses HCN formation in this region. The Ca shows the largest effect on both the promotion and suppression. It is likely that the NH{sub 3} increased by Ca addition arises partly from HCN, but mainly from secondary reactions of tar-N. These hydroxides affect N{sub 2} formation in quite different manners: the Na decreases the rate between 700 and 950{degree}C, and the K changes it less significantly than the Na, but the Ca remarkably increases the rate in a low temperature region of 550-700{degree}C. These different features are discussed in terms of solid-phase reactions of alkali metal carbonates with char-N and secondary decomposition reactions of tar-N on CaO particles. As a result, total conversion of coal-N to HCN, NH{sub 3} and N{sub 2} up to 1000{degree}C increases in the sequence of Na {lt} none {lt} K {lt} Ca. 40 refs., 10 figs., 2 tabs.

  2. Electronic and atomic structures of liquid tellurium containing alkali elements

    International Nuclear Information System (INIS)

    Kawakita, Yukinobu; Yao, Makoto; Endo, Hirohisa.

    1997-01-01

    The measurements of electrical conductivity σ, density, EXAFS and neutron scattering were carried out for liquid K-Te and Rb-Te mixtures. The conductivity σ decreases rapidly with alkali concentration and a metal-semiconductor transition occurs at about 10 at.% alkali. It is found that the compositional variation of σ is nearly independent of the alkali species. The Te-Te bond length deduced from EXAFS and neutron scattering measurements is 2.8 A and changes little with alkali concentrations. The average distances from K and Rb atom to Te atoms are 3.6 A and 3.8 A, respectively. Two kinds of relaxation processes are observed in quasielastic neutron scattering for K 20 Te 80 . Upon the addition of alkali the interaction between the neighbouring Te chains, which is responsible for the metallic conduction, weaken considerably. (author)

  3. Conductivity Measurements of Alkali Metal Thiocyanates in Water-Methanol Mixtures; Mizu-metanoru kongoyoubai ni okeru arukari kinzoku chioshiansan`en no denki dendodo sokutei

    Energy Technology Data Exchange (ETDEWEB)

    Kubota, Eiji.; Horimoto, Sanaki. [Shinshu University, Nagano (Japan). Faculty of Science

    1999-03-10

    The counductivity of several alkali nmetal thiocyanates in water-methanol mixtures was measured at 25degreeC. the data were analyzed using Lee-Wheaton theory for symmetrical electroyers to cbtain ion association constant, K{sub A}, limiting molar sonductivity, {Lambda}{sub 0}, and limiting ionic molar conductivity, lamnda{sub 0}{+-}. In all the solvent systems, calculated{lambda}{sub 0}{sup +} values of the alkali metal ions increase in the order L{sub i}{sup +}alkali metal ions and thiocyanate ion showed a minimum when the molar fraction of methanol was ca.0.4. The changes in {lambda}{sub 0}{+-} of these alkali metal ions and thiocyanate ion with the molar fraction of methanol agree with change in the viscosity of the solvent or the heat of mixing of wateer-methanol mixtures. These alkali metal thiocyanates from little or no ion aggregated in water and water-methanol mixtures. These alkali metal thiocyanates K{sub A}=15-24 dm{sup 3} mol{sub -1} in methanol. (author)

  4. Tunable electronic and magnetic properties in germanene by alkali, alkaline-earth, group III and 3d transition metal atom adsorption.

    Science.gov (United States)

    Li, Sheng-shi; Zhang, Chang-wen; Ji, Wei-xiao; Li, Feng; Wang, Pei-ji; Hu, Shu-jun; Yan, Shi-shen; Liu, Yu-shen

    2014-08-14

    We performed first-principles calculations to study the adsorption characteristics of alkali, alkali-earth, group III, and 3d transition-metal (TM) adatoms on germanene. We find that the adsorption of alkali or alkali-earth adatoms on germanene has minimal effects on geometry of germanene. The significant charge transfer from alkali adatoms to germanene leads to metallization of germanene, whereas alkali-earth adatom adsorption, whose interaction is a mixture of ionic and covalent, results in semiconducting behavior with an energy gap of 17-29 meV. For group III adatoms, they also bind germanene with mixed covalent and ionic bonding character. Adsorption characteristics of the transition metals (TMs) are rather complicated, though all TM adsorptions on germanene exhibit strong covalent bonding with germanene. The main contributions to the strong bonding are from the hybridization between the TM 3d and Ge pz orbitals. Depending on the induced-TM type, the adsorbed systems can exhibit metallic, half-metallic, or semiconducting behavior. Also, the variation trends of the dipole moment and work function with the adsorption energy across the different adatoms are discussed. These findings may provide a potential avenue to design new germanene-based devices in nanoelectronics.

  5. Effect of metallic Si addition on polymerization degree of in situ foamed alkali-aluminosilicates

    Czech Academy of Sciences Publication Activity Database

    Medri, V.; Papa, E.; Dědeček, Jiří; Jirglová, Hana; Benito, P.; Vaccari, A.; Landi, E.

    2013-01-01

    Roč. 39, č. 7 (2013), s. 7657-7668 ISSN 0272-8842 Institutional support: RVO:61388955 Keywords : B. porosity * alkali-bonded ceramics * geopolymerization Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.086, year: 2013

  6. Hydrogen production coupled to nuclear waste treatment: the safe treatment of alkali metals through a well-demonstrated process

    International Nuclear Information System (INIS)

    Rahier, A.; Mesrobian, G.

    2006-01-01

    In 1992, the United Nations emphasised the urgent need to act against the perpetuation of disparities between and within nations, the worsening of poverty, hunger, ill health and illiteracy and the continuing deterioration of ecosystems on which we depend for our well-being. In this framework, taking into account the preservation of both worldwide energy resources and ecosystems, the use of nuclear energy to produce clean energy carriers, such as hydrogen, is undoubtedly advisable. However, coping fully with the Agenda 21 statements requires defining adequate treatment processes for nuclear wastes. This paper discusses the possible use of a well-demonstrated process to convert radioactively contaminated alkali metals into sodium hydroxide while producing hydrogen. We conclude that a synergy between Chlor-Alkali specialists and nuclear specialists may help find an acceptable solution for radioactively contaminated sodium waste. (author)

  7. Influence of N-O chemistry on the excitation of alkali metals by a non-transferred DC plasma jet

    International Nuclear Information System (INIS)

    Haeyrinen, Ville; Oikari, Risto; Hernberg, Rolf

    2004-01-01

    Excitation of Na(3p) and K(4p) states by a high velocity non-transferred direct current plasma jet was studied. A turbulent nitrogen plasma jet was discharged into an atmosphere consisting of nitrogen and oxygen, laden with trace amounts of alkali. The line reversal temperatures of Na and K depend on the molar fraction of oxygen and may deviate considerably from the gas temperature. The reaction pressure was 0.1 MPa. The measured line reversal temperatures were reproduced by a simple chemical model. At temperatures near 2000 K non-equilibrium is caused by association of nitrogen atoms by the Zeldovich mechanism, which affects the vibrational temperature of nitrogen molecules. Near 1000 K excitation may also take place due to a chemiluminescent mechanism between alkali metals and ozone

  8. Thermal Emission of Alkali Metal Ions from Al30-Pillared Montmorillonite Studied by Mass Spectrometric Method.

    Science.gov (United States)

    Motalov, V B; Karasev, N S; Ovchinnikov, N L; Butman, M F

    2017-01-01

    The thermal emission of alkali metal ions from Al 30 -pillared montmorillonite in comparison with its natural form was studied by mass spectrometry in the temperature range 770-930 K. The measurements were carried out on a magnetic mass spectrometer MI-1201. For natural montmorillonite, the densities of the emission currents ( j ) decrease in the mass spectrum in the following sequence (T = 805 K, A/cm 2 ): K + (4.55 · 10 -14 ), Cs + (9.72 · 10 -15 ), Rb + (1.13 · 10 -15 ), Na + (1.75 · 10 -16 ), Li + (3.37 · 10 -17 ). For Al 30 -pillared montmorillonite, thermionic emission undergoes temperature-time changes. In the low-temperature section of the investigated range (770-805 K), the value of j increases substantially for all ions in comparison with natural montmorillonite (T = 805 K, A/cm 2 ): Cs + (6.47 · 10 -13 ), K + (9.44 · 10 -14 ), Na + (3.34 · 10 -15 ), Rb + (1.77 · 10 -15 ), and Li + (4.59 · 10 -16 ). A reversible anomaly is observed in the temperature range 805-832 K: with increasing temperature, the value of j of alkaline ions falls abruptly. This effect increases with increasing ionic radius of M + . After a long heating-up period, this anomaly disappears and the ln j - 1/ T dependence acquires a classical linear form. The results are interpreted from the point of view of the dependence of the efficiency of thermionic emission on the phase transformations of pillars.

  9. Thermal Emission of Alkali Metal Ions from Al30-Pillared Montmorillonite Studied by Mass Spectrometric Method

    Directory of Open Access Journals (Sweden)

    V. B. Motalov

    2017-01-01

    Full Text Available The thermal emission of alkali metal ions from Al30-pillared montmorillonite in comparison with its natural form was studied by mass spectrometry in the temperature range 770–930 K. The measurements were carried out on a magnetic mass spectrometer MI-1201. For natural montmorillonite, the densities of the emission currents (j decrease in the mass spectrum in the following sequence (T = 805 K, A/cm2: K+ (4.55 · 10−14, Cs+ (9.72 · 10−15, Rb+ (1.13 · 10−15, Na+ (1.75 · 10−16, Li+ (3.37 · 10−17. For Al30-pillared montmorillonite, thermionic emission undergoes temperature-time changes. In the low-temperature section of the investigated range (770–805 K, the value of j increases substantially for all ions in comparison with natural montmorillonite (T = 805 K, A/cm2: Cs+ (6.47 · 10−13, K+ (9.44 · 10−14, Na+ (3.34 · 10−15, Rb+ (1.77 · 10−15, and Li+ (4.59 · 10−16. A reversible anomaly is observed in the temperature range 805–832 K: with increasing temperature, the value of j of alkaline ions falls abruptly. This effect increases with increasing ionic radius of M+. After a long heating-up period, this anomaly disappears and the lnj-1/T dependence acquires a classical linear form. The results are interpreted from the point of view of the dependence of the efficiency of thermionic emission on the phase transformations of pillars.

  10. Atmospheric trace metal concentrations in Suspended Particulate ...

    African Journals Online (AJOL)

    The air particulate samples were collected from the kitchens, living rooms and outdoor environment of five households in the community. The quantification of the trace metals was done using Atomic Absorption spectrometry method, employing HNO based wet digestion. High baseline concentration of SPMwere obtained ...

  11. Theoretical investigation on the alkali-metal doped BN fullerene as a material for hydrogen storage

    International Nuclear Information System (INIS)

    Venkataramanan, Natarajan Sathiyamoorthy; Belosludov, Rodion Vladimirovich; Note, Ryunosuke; Sahara, Ryoji; Mizuseki, Hiroshi; Kawazoe, Yoshiyuki

    2010-01-01

    Graphical abstract: First-principles calculations have been used to investigate hydrogen adsorption on alkali atom doped B 36 N 36 clusters. Adsorption of alkali atoms involves a charge transfer process, creating positively-charged alkali atoms and this polarizes the H 2 molecules and increases their binding energy. The maximum hydrogen storage capacity of Li doped BN fullerene is 8.9 wt.% in which 60 hydrogen atoms were chemisorbed and 12 H 2 were adsorbed in molecular form. - Abstract: First-principles calculations have been used to investigate hydrogen adsorption on alkali atom doped B 36 N 36 clusters. The alkali atom adsorption takes place near the six tetragonal bridge sites available on the cage, thereby avoiding the notorious clustering problem. Adsorption of alkali atoms involves a charge transfer process, creating positively charged alkali atoms and this polarizes the H 2 molecules thereby, increasing their binding energy. Li atom has been found to adsorb up to three hydrogen molecules with an average binding energy of 0.189 eV. The fully doped Li 6 B 36 N 36 cluster has been found to hold up to 18 hydrogen molecules with the average binding energy of 0.146 eV. This corresponds to a gravimetric density of hydrogen storage of 3.7 wt.%. Chemisorption on the Li 6 B 36 N 36 has been found to be an exothermic reaction, in which 60 hydrogen atoms chemisorbed with an average chemisorption energy of -2.13 eV. Thus, the maximum hydrogen storage capacity of Li doped BN fullerene is 8.9 wt.% in which 60 hydrogen atoms were chemisorbed and 12 hydrogen molecules were adsorbed in molecular form.

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

    International Nuclear Information System (INIS)

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

    1988-01-01

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

  13. Alkali-Metal-Ion-Functionalized Graphene Oxide as a Superior Anode Material for Sodium-Ion Batteries.

    Science.gov (United States)

    Wan, Fang; Li, Yu-Han; Liu, Dai-Huo; Guo, Jin-Zhi; Sun, Hai-Zhu; Zhang, Jing-Ping; Wu, Xing-Long

    2016-06-06

    Although graphene oxide (GO) has large interlayer spacing, it is still inappropriate to use it as an anode for sodium-ion batteries (SIBs) because of the existence of H-bonding between the layers and ultralow electrical conductivity which impedes the Na(+) and e(-) transformation. To solve these issues, chemical, thermal, and electrochemical procedures are traditionally employed to reduce GO nanosheets. However, these strategies are still unscalable, consume high amounts of energy, and are expensive for practical application. Here, for the first time, we describe the superior Na storage of unreduced GO by a simple and scalable alkali-metal-ion (Li(+) , Na(+) , K(+) )-functionalized process. The various alkali metals ions, connecting with the oxygen on GO, have played different effects on morphology, porosity, degree of disorder, and electrical conductivity, which are crucial for Na-storage capabilities. Electrochemical tests demonstrated that sodium-ion-functionalized GO (GNa) has shown outstanding Na-storage performance in terms of excellent rate capability and long-term cycle life (110 mAh g(-1) after 600 cycles at 1 A g(-1) ) owing to its high BET area, appropriate mesopore, high degree of disorder, and improved electrical conductivity. Theoretical calculations were performed using the generalized gradient approximation (GGA) to further study the Na-storage capabilities of functionalized GO. These calculations have indicated that the Na-O bond has the lowest binding energy, which is beneficial to insertion/extraction of the sodium ion, hence the GNa has shown the best Na-storage properties among all comparatives functionalized by other alkali metal ions. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Methane coupling reaction in an oxy-steam stream through an OH radical pathway by using supported alkali metal catalysts

    KAUST Repository

    Liang, Yin

    2014-03-24

    A universal reaction mechanism involved in the oxidative coupling of methane (OCM) is demonstrated under oxy-steam conditions using alkali-metal-based catalysts. Rigorous kinetic measurements indicated a reaction mechanism that is consistent with OH radical formation from a H 2O-O2 reaction followed by C-H activation in CH 4 with an OH radical. Thus, the presence of water enhances both the CH4 conversion rate and the C2 selectivity. This OH radical pathway that is selective for the OCM was observed for the catalyst without Mn, which suggests clearly that Mn is not the essential component in a selective OCM catalyst. The experiments with different catalyst compositions revealed that the OH.-mediated pathway proceeded in the presence of catalysts with different alkali metals (Na, K) and different oxo anions (W, Mo). This difference in catalytic activity for OH radical generation accounts for the different OCM selectivities. As a result, a high C2 yield is achievable by using Na2WO4/SiO2, which catalyzes the OH.-mediated pathway selectively. Make it methane: A universal reaction mechanism involved in the oxidative coupling of methane is demonstrated under oxy-stream conditions by using alkali-metal-based catalysts. Rigorous kinetic measurements indicated a reaction mechanism that is consistent with OH radical formation from an H2O-O2 reaction, followed by C-H activation in CH4 with an OH radical. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Investigations on the role of alkali to obtain modulated defect concentrations for Cu{sub 2}O thin films

    Energy Technology Data Exchange (ETDEWEB)

    Chowdhury, Anirban, E-mail: anirban.chowdhury@gmail.com [Research and Development, Tata Steel Limited, Jamshedpur, 831001 (India); Bijalwan, Pavan Kumar [Research and Development, Tata Steel Limited, Jamshedpur, 831001 (India); Sahu, Ranjan Kumar [MST Division, CSIR-National Metallurgical Laboratory, Jamshedpur, 831007 (India)

    2014-01-15

    An economic successive ionic layer adsorption and reaction (SILAR) method has been investigated for depositing thin Cu{sub 2}O layers on steel. The mole ratios of the Cu{sup +} ions to OH{sup −} ions in the alkali bath were varied and the changes in the properties were characterised by X-ray photoelectron spectroscopy (XPS), photoluminescence (PL) spectroscopy, scanning electron microscopy (SEM) and Ultraviolet–visible spectroscopy techniques. The increase in the binding energy values of the Cu 2p peaks in XPS established that an optimum copper vacancy concentration can be obtained for a Cu{sup +}/OH{sup −} mole ratio between 1:10 and 1:15; SEM studies confirmed a dense, uniform microstructure for Cu{sub 2}O thin films coated with these compositions. The strongest absolute peak intensity counts in PL for the peak at 580 nm along with low energy peaks (1.2–1.4 eV) due to Cu vacancy was found to be most prominent for thin film made with Cu{sup +}/OH{sup −} mole ratio 1:15. The role of alkali concentration has been explained in relation to create a stable Cu{sub 2−δ}O structure with optimum copper vacancy. This is an easy way to modulate surface reactivity of the Cu{sub 2}O thin layers and the concept can be utilised for large area device integrations for various electrical and mechanical applications.

  16. Third order nonlinear optical properties and optical limiting behavior of alkali metal complexes of p-nitrophenol

    Science.gov (United States)

    Thangaraj, M.; Vinitha, G.; Sabari Girisun, T. C.; Anandan, P.; Ravi, G.

    2015-10-01

    Optical nonlinearity of metal complexes of p-nitrophenolate (M=Li, Na and K) in ethanol is studied by using a continuous wave (cw) diode pumped Nd:YAG laser (532 nm, 50 mW). The predominant mechanism of observed nonlinearity is thermal in origin. The nonlinear refractive index and the nonlinear absorption coefficient of the samples were found to be in the order of 10-8 cm2/W and 10-3 cm/W respectively. Magnitude of third-order optical parameters varies according to the choice of alkali metal chosen for metal complex formation of p-nitrophenolate. The third-order nonlinear susceptibility was found to be in the order of 10-6 esu. The observed saturable absorption and the self-defocusing effect were used to demonstrate the optical limiting action at 532 nm by using the same cw laser beam.

  17. Experimental (FT-IR, FT-Raman, 1H, 13C NMR) and theoretical study of alkali metal 2-aminobenzoates

    Science.gov (United States)

    Samsonowicz, M.; Świsłocka, R.; Regulska, E.; Lewandowski, W.

    2008-09-01

    The influence of lithium, sodium, potassium, rubidium and cesium on the electronic system of the 2-aminobenzoic acid was studied by the methods of molecular spectroscopy. The vibrational (FT-IR, FT-Raman) and NMR ( 1H and 13C) spectra for 2-aminobenzoic acid and its alkali metal salts were recorded. The assignment of vibrational spectra was done on the basis of literature data, theoretical calculations and our previous experience. Characteristic shifts of bands and changes in intensities of bands along the metal series were observed. The changes of chemical shifts of protons ( 1H NMR) and carbons ( 13C NMR) in the series of studied alkali metal 2-aminobenzoates were observed too. Optimized geometrical structures of studied compounds were calculated by B3LYP method using 6-311++G ∗∗ basis set. Geometric aromaticity indices, dipole moments and energies were also calculated. The theoretical wavenumbers and intensities of IR and Raman spectra were obtained. The calculated parameters were compared to experimental characteristic of studied compounds.

  18. From simple rings to one-dimensional channels with calix[8]arenes, water clusters, and alkali metal ions

    OpenAIRE

    Bergougnant, Rémi D.; Robin, Adeline Y.; Fromm, Katharina M.

    2007-01-01

    The macrocycle 4-tert-butylcalix[8]arene (L) was reacted with alkali metal carbonates (Li₂CO₃, Na₂CO₃, K₂CO₃, Rb₂CO₃, and Cs₂CO₃) at the interface of a biphasic THF/water system. Needle-like crystals with a general formula [Ax(4-tert-butylcalix[8]arene-xH)(THF)y(H₂O)z] (with A=Li, Na, K, Rb, Cs, x=1, 2, y=4, 5, 8, and z=6, 7) were thereby obtained. The solid state structures were investigated by X-ray diffraction of single crystals and by TGA measurements. They do not appear to be maintained ...

  19. Mass-spectrometric study of ion clustering in alkali-metal hydroxide vapor: cluster-ion energy and structural characteristics

    International Nuclear Information System (INIS)

    Kudin, L.S.; Butman, M.F.; Krasnov, K.S.

    1986-01-01

    Various positive and negative ions have been recorded in the equilibrium vapors from alkali-metal hydroxides: M/sup +/-/, OH - , O - , MO - , MOH - , and X/sup +/-/ (MOH)/sub n/, where X = M/sup +/-/, OH - , n = 1-6. The equilibrium constants have been measured for X/sup +/-/(MOH)/sub n/ = x/sup +/-/ + nMOH(k), n = 1-3, and the enthalpies of reaction have been determined, from which the enthalpies of formation and dissociation energies of X/sup +/-/ (MOH)/sub n/ have been calculated. The relative stabilities of the ions in the series from Na to Cs are examined

  20. First principles study the effects of alkali metal and chorine adatoms on the opposite surface of graphene

    Science.gov (United States)

    Xinxiang, Song; Guang, Yuan; Meifeng, Dong; Mimura, Hidenori; Chun, Li; Mang, Niu

    2018-02-01

    Study of the adsorption properties of graphene has great significance for expanding its application. So far, few studies have analyzed the effects of adatoms on opposite sides of graphene. We use density functional theory to report the effects of chlorine and alkali metal adatoms on the other side of graphene. Although there is an obvious charge transfer between the adatom and graphene, the interaction between the adatoms is shielded by the large π bonds of graphene and therefore the effects of the adatom on the other side of graphene are very weak.

  1. A theoretical study of the structure and thermochemical properties of alkali metal fluoroplumbates MPbF3.

    Science.gov (United States)

    Boltalin, A I; Korenev, Yu M; Sipachev, V A

    2007-07-19

    Molecular constants of MPbF3 (M=Li, Na, K, Rb, and Cs) were calculated theoretically at the MP2(full) and B3LYP levels with the SDD (Pb, K, Rb, and Cs) and cc-aug-pVQZ (F, Li, and Na) basis sets to determine the thermochemical characteristics of the substances. Satisfactory agreement with experiment was obtained, including the unexpected nonmonotonic dependence of substance dissociation energies on the alkali metal atomic number. The bond lengths of the theoretical CsPbF3 model were substantially elongated compared with experimental estimates, likely because of errors in both theoretical calculations and electron diffraction data processing.

  2. The Study of Anti-/Pro-Oxidant, Lipophilic, Microbial and Spectroscopic Properties of New Alkali Metal Salts of 5-O-Caffeoylquinic Acid

    Directory of Open Access Journals (Sweden)

    Monika Kalinowska

    2018-02-01

    Full Text Available Lithium, sodium, potassium, rubidium and caesium salts of 5-O-caffeoylquinic acid (chlorogenic acid, 5-CQA were synthesized and described by FT-IR (infrared spectroscopy, FT-Raman (Raman spectroscopy, UV (UV absorption spectroscopy, 1H (400.15 MHz, 13C (100.63 MHz NMR (nuclear magnetic resonance spectroscopy. The quantum–chemical calculations at the B3LYP/6-311++G** level were done in order to obtain the optimal structures, IR spectra, NBO (natural bond orbital atomic charges, HOMO (highest occupied molecular orbital and LUMO (lowest unoccupied molecular orbital orbitals and chemical reactivity parameters for 5-CQA and Li, Na and K 5-CQAs (chlorogenates. The DPPH (α, α-diphenyl-β-picrylhydrazyl and FRAP (ferric reducing antioxidant power assays were used for the preliminary estimation of the antioxidant properties of alkali metal chlorogenates and chlorogenic acid. In the DPPH assay the EC50 parameter were equal to 7.39 μM for 5-CQA and was in the range of 4.50–5.89 μM for salts. The FRAP values for two different concentrations (5 and 2.5 μM of the studied compounds were respectively 114.22 and 72.53 μM Fe2+ for 5-CQA, whereas for salts they were 106.92–141.13 and 78.93–132.00 μM Fe2+. The 5-CQA and its alkali metal salts possess higher antioxidant properties than commonly applied antioxidants (BHA, BHT, l-ascorbic acid. The pro-oxidant action of these compounds on trolox oxidation was studied in the range of their concentration 0.05–0.35 μM. The lipophilicity (logkw of chlorogenates and chlorogenic acid was determined by RP-HPLC (reverse phase—high performance liquid chromatography using five different columns (C8, PHE (phenyl, CN (cyano, C18, IAM (immobilized artificial membrane. The compounds were screened for their in vitro antibacterial activity against E. coli, Bacillus sp., Staphylococcus sp., Streptococcus pyogenes and antifungal activity against Candida sp. The 5-CQA possessed lower antibacterial (minimal inhibitory

  3. Influence of alkali metal oxides and alkaline earth metal oxides on the mitigation of stress corrosion cracking in CANDU fuel sheathing

    Energy Technology Data Exchange (ETDEWEB)

    Metzler, J.; Ferrier, G.A.; Farahani, M.; Chan, P.K.; Corcoran, E.C., E-mail: Joseph.Metzler@rmc.ca [Royal Military College of Canada, Kingston, ON (Canada)

    2015-07-01

    Stress corrosion cracking (SCC)can cause failures of CANDU Zircaloy-4 fuel sheathing. The process occurs when a corrosive element (i.e.,iodine) interacts with a susceptible material that is under sufficient strain at a high temperature. Currently, there is an ongoing effort to improve SCC mitigation strategies for future iterations of CANDU reactors. A potential mechanism for SCC mitigation involves utilizing alkali metal oxides and alkaline earth metal oxides that will sequester corrosive iodine while actively repairing a protective oxide layer on the sheath. SCC tests performed with sodium oxide (Na{sub 2}O) and calcium oxide (CaO) have shown to decrease significantly the sheath degradation. (author)

  4. Similarities and differences of alkali metal chlorides applied in organic light-emitting diodes

    International Nuclear Information System (INIS)

    Lü, Zhaoyue; Deng, Zhenbo; Hou, Ying; Xu, Haisheng

    2012-01-01

    The similarities and differences of alkali metal chlorides (sodium chloride (NaCl), potassium chloride (KCl), rubidium chloride (RbCl) and cesium chloride (CsCl)) applied in organic light-emitting diodes (OLEDs) are investigated. The behavior is similar for the OLEDs with these four chlorides as electron injection layer (EIL). Their maximum luminance and efficiency at 100 mA/cm 2 are within the ranges of 18 550 ± 600 (cd/m 2 ) with an error of 3.23% and 4.09 ± 0.15 (cd/A) within an error of 3.67%, respectively. The similar performance is due to almost identical electron injection barrier for NaCl, KCl, RbCl and CsCl as EIL. Interestingly, the properties are different for devices with chlorides inserted inside tris (8-hydroxyquinoline) aluminum at the position of 20 nm away from aluminum cathode, labeled as NaCl-, KCl-, RbCl- and CsCl- devices. The relation of luminance is CsCl- > RbCl- = KCl- > NaCl-, where “>” and “=” mean “better than” and “the same as”, respectively. And the device efficiencies are decreased from CsCl to NaCl. That is, the sort order of the efficiencies is CsCl- > RbCl- > KCl- > NaCl-. The mechanism is explained by tunneling model in terms of various energy gaps estimated by optical electronegativity of NaCl, KCl, RbCl and CsCl. - Highlights: ► Effects of NaCl, KCl, RbCl and CsCl in organic light-emitting diodes are compared. ► The similar performance is due to almost identical electron injection barrier. ► The different behavior of chlorides inside Alq 3 is explained by tunneling model. ► The different behavior is attributed to various energy gaps of different chlorides. ► The efficiency of device with chlorides inside Alq 3 is decreased from CsCl to NaCl.

  5. Optimization of fed-batch enzymatic hydrolysis from alkali-pretreated sugarcane bagasse for high-concentration sugar production.

    Science.gov (United States)

    Gao, Yueshu; Xu, Jingliang; Yuan, Zhenhong; Zhang, Yu; Liu, Yunyun; Liang, Cuiyi

    2014-09-01

    Fed-batch enzymatic hydrolysis process from alkali-pretreated sugarcane bagasse was investigated to increase solids loading, produce high-concentration fermentable sugar and finally to reduce the cost of the production process. The optimal initial solids loading, feeding time and quantities were examined. The hydrolysis system was initiated with 12% (w/v) solids loading in flasks, where 7% fresh solids were fed consecutively at 6h, 12h, 24h to get a final solids loading of 33%. All the requested cellulase loading (10 FPU/g substrate) was added completely at the beginning of hydrolysis reaction. After 120 h of hydrolysis, the maximal concentrations of cellobiose, glucose and xylose obtained were 9.376 g/L, 129.50 g/L, 56.03 g/L, respectively. The final total glucan conversion rate attained to 60% from this fed-batch process. Copyright © 2014. Published by Elsevier Ltd.

  6. Alkali metal and ammonium chlorides in water and heavy water (binary systems)

    CERN Document Server

    Cohen-Adad, R

    1991-01-01

    This volume surveys the data available in the literature for solid-fluid solubility equilibria plus selected solid-liquid-vapour equilibria, for binary systems containing alkali and ammonium chlorides in water or heavy water. Solubilities covered are lithium chloride, sodium chloride, potassium chloride, rubidium chloride, caesium chloride and ammonium chloride in water and heavy water.

  7. Use of alkali metal salts to prepare high purity single-walled carbon nanotube solutions and thin films

    Science.gov (United States)

    Ashour, Rakan F.

    Single-walled carbon nanotubes (SWCNTs) display interesting electronic and optical properties desired for many advanced thin film applications, such as transparent conductive electrodes or thin-film transistors. Large-scale production of SWCNTs generally results in polydispersed mixtures of nanotube structures. Since SWCNT electronic character (conducting or semiconducting nature) depends on the nanotube structure, application performance is being held back by this inability to discretely control SWCNT synthesis. Although a number of post-production techniques are able to separate SWCNTs based on electronic character, diameter, or chirality, most still suffer from the disadvantage of high costs of materials, equipment, or labor intensity to be relevant for large-scale production. On the other hand, chromatographic separation has emerged as a method that is compatible with large scale separation of metallic and semiconducting SWCNTs. In this work, SWCNTs, in an aqueous surfactant suspension of sodium dodecyl sulfate (SDS), are separated by their electronic character using a gel chromatography process. Metallic SWCNTs (m-SWCNTs) are collected as initial fractions since they show minimum interaction with the gel medium, whereas, semiconducting SWCNTs (sc- SWCNTs) remain adsorbed to the gel. The process of sc-SWCNT retention in the gel is found to be driven by the packing density of SDS around the SWCNTs. Through a series of separation experiments, it is shown that sc-SWCNTs can be eluted from the gel simply by disturbing the configuration of the SDS/SWCNT micellar structure. This is achieved by either introducing a solution containing a co-surfactant, such as sodium cholate (SC), or solutions of alkali metal ionic salts. Analysis of SWCNT suspensions by optical absorption provides insights into the effect of changing the metal ion (M+ = Li+, Na+, and K+) in the eluting solution. Salts with smaller metal ions (e.g. Li+) require higher concentrations to achieve

  8. C-N Bond Activation and Ring Opening of a Saturated N-Heterocyclic Carbene by Lateral Alkali-Metal-Mediated Metalation.

    Science.gov (United States)

    Hernán-Gómez, Alberto; Kennedy, Alan R; Hevia, Eva

    2017-06-01

    Combining alkali-metal-mediated metalation (AMMM) and N-heterocyclic carbene (NHC) chemistry, a novel C-N bond activation and ring-opening process is described for these increasingly important NHC molecules, which are generally considered robust ancillary ligands. Here, mechanistic investigations on reactions of saturated NHC SIMes (SIMes=[:C{N(2,4,6-Me 3 C 6 H 2 )CH 2 } 2 ]) with Group 1 alkyl bases suggest this destructive process is triggered by lateral metalation of the carbene. Exploiting co-complexation and trans-metal-trapping strategies with lower polarity organometallic reagents (Mg(CH 2 SiMe 3 ) 2 and Al(TMP)iBu 2 ), key intermediates in this process have been isolated and structurally defined. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Alkali metal cation selectivity of [17]ketonand in methanol: free energy perturbation and molecular dynamics simulation studies

    International Nuclear Information System (INIS)

    Hwang, Sun Gu; Chung, Doo Soo; Jang, Yun Hee; Ryu, Gean Ha

    1999-01-01

    Free energy perturbation and molecular dynamics simulations were carried out to investigate the relative binding affinities of [1 7 ]ketonand (1) toward alkali metal cations in methanol. The binding affinities of 1 toward the alkali metal cations were calculated to be in the order Li + >Na + >K + >Rb + >Cs + , whereas our recent theoretically predicted and experimentally observed binding affinities for [1 8 ]starand (2) were in the order K + >Rb + >Cs + >Na + >Li + . The extremely different affinities of 1 and 2 toward smaller cations, Li + and Na + , were explained in terms of the differences in their ability to change the conformation to accommodate cations of different sizes. The carbonyl groups constituting the central cavity of 1 can reorganize to form a cavity with the optimal M + -O distance, even for the smallest Li + , without imposing serious strain on 1. The highest affinity of 1 for Li + was predominantly due to the highest Coulombic attraction between the smallest Li + and the carbonyl oxygens of 1

  10. Effects of alkali metal cations on phospho-enzyme levels and [3H] ouabain binding to (Na+ + K+)-ATPase.

    Science.gov (United States)

    Han, C S; Tobin, T; Akera, T; Brody, T M

    1976-05-13

    The effects of several alkali metal cations on the relationship between steady state phospho-enzyme levels and initial velocity and equilibrium levels of [3H]-ouabain binding to (Na+ + K+)-ATPase (ATP phosphohydrolase EC 3.6.1.3.) were examined. Only Na+ increased both phospho-enzyme and [3H] ouabain binding levels above those observed in the presence of Mg2+ alone. While Na+ stimulated phosphorylation with an apparent Km of about 1 mM, its stimulation of [3H] ouabain binding was biphasic, the lower Km for stimulation corresponding to the Km for formation of phospho-enzyme. Among the other alkali metal cations, potassium, rubidium and lithium were at least eight times more effect in reducing phospho-enzyme levels than in reducing [3H] ouabain binding. This discrepancy is not due to the stability of the enzyme-ouabain complex, nor to any action on the rates of formation or dissociation of the enzyme-ouabain complex. The data thus suggest that [3H] ouabain interacts with the K+, Rb+ or Li+ -enzyme complexes. For Li+, this hypothesis is further supported by the observation that Li+ can cirectly increase the equilibrium level of [3H] ouabain binding to this enzyme under certain conditions.

  11. The effect of coal sulfur on the behavior of alkali metals during co-firing biomass and coal

    Energy Technology Data Exchange (ETDEWEB)

    Tianhua Yang; Xingping Kai; Yang Sun; Yeguang He; Rundong Li [Shenyang Aerospace University, Liaoning (China). Liaoning Key Laboratory of Clean Energy and Institute of Clean Energy and Environmental Engineering

    2011-07-15

    Biomass contains high amounts of volatile alkali metals and chlorine, which can cause deposition, corrosion and agglomeration during combustion. Meanwhile coal contains a certain amount of sulfur that produces serious environmental pollution following combustion. To investigate the effects of sulfur on the migration of alkali metals during biomass and coal co-combustion, thermodynamic equilibrium calculations were applied and experiments were performed in a laboratory scale reactor combining with a scanning electron microscope (SEM), X-ray powder diffraction (XRD) and other analytical approaches. The results indicate that inorganic sulfur FeS{sub 2} addition significantly enhanced the formation of potassium sulfate when the S/K molar ratio was less than 2. Meanwhile increasing FeS{sub 2} dosage reduced the formation of KCl(g) and KOH(g) and increased the release of HCl(g). In addition potassium sulfate can react with silica and aluminum to form potassium aluminosilicates and release HCl at the S/K molar ratio above 4. 18 refs., 9 figs., 1 tab.

  12. Inclusion Extraction of Alkali Metals by Emulsion Liquid Membranes and Nano-baskets of p-tert-Calix[4]arene Bearing Di-[N-(X)sulfonyl Carboxamide] and Di-(1-propoxy) in ortho-cone Conformation

    Energy Technology Data Exchange (ETDEWEB)

    Mokhtari, Bahram; Pourabdollah, Kobra [Islamic Azad University, Province (Iran, Islamic Republic of)

    2012-05-15

    Nano-assisted inclusion separation of alkali metals from basic solutions was reported by inclusion-facilitated emulsion liquid membrane process. The novelty of this study is application of nano-baskets of calixarene in the selective and efficient separation of alkali metals as both the carrier and the surfactant. For this aim, four derivatives of p-tert-calix[4]arene bearing different sulfonamide moieties were synthesized and their inclusionextraction parameters were optimized including the calixarene scaffold 3 (4 wt %) as the carrier/demulsifier, the commercial kerosene as diluent in membrane, sulphonic acid (0.2 M) and ammonium carbonate (0.4 M) as the strip and the feed phases, the phase and the treat ratios of 0.8 and 0.3, mixing speed (300 rpm), and initial solute concentration (100 mg/L). The selectivity of membrane over more than ten interfering cations was examined and the results reveled that under the optimized operating condition, the degree of inclusionextraction of alkali metals was as high as 98-99%.

  13. Inclusion Extraction of Alkali Metals by Emulsion Liquid Membranes and Nano-baskets of p-tert-Calix[4]arene Bearing Di-[N-(X)sulfonyl Carboxamide] and Di-(1-propoxy) in ortho-cone Conformation

    International Nuclear Information System (INIS)

    Mokhtari, Bahram; Pourabdollah, Kobra

    2012-01-01

    Nano-assisted inclusion separation of alkali metals from basic solutions was reported by inclusion-facilitated emulsion liquid membrane process. The novelty of this study is application of nano-baskets of calixarene in the selective and efficient separation of alkali metals as both the carrier and the surfactant. For this aim, four derivatives of p-tert-calix[4]arene bearing different sulfonamide moieties were synthesized and their inclusionextraction parameters were optimized including the calixarene scaffold 3 (4 wt %) as the carrier/demulsifier, the commercial kerosene as diluent in membrane, sulphonic acid (0.2 M) and ammonium carbonate (0.4 M) as the strip and the feed phases, the phase and the treat ratios of 0.8 and 0.3, mixing speed (300 rpm), and initial solute concentration (100 mg/L). The selectivity of membrane over more than ten interfering cations was examined and the results reveled that under the optimized operating condition, the degree of inclusionextraction of alkali metals was as high as 98-99%

  14. Quantum Chemical and FTIR Spectroscopic Studies on the Linkage Isomerism of Carbon Monoxide in Alkali-Metal-Exchanged Zeolites: A Review of Current Research

    OpenAIRE

    E. Garrone; A. A. Tsyganenko; G. Turnes Palomino; C. Otero Areán

    2002-01-01

    Abstract: When adsorbed (at a low temperature) on alkali-metal-exchanged zeolites, CO forms both M(CO)+ and M(OC)+ carbonyl species with the extra-framework alkali-metal cation of the zeolite. Both quantum chemical and experimental results show that C-bondend adducts are characterized by a C−O stretching IR band at a frequency higher than that of 2143 cm-1 for free CO, while for O-bonded adducts this IR band appears below 2143 cm-1. The cation-CO interaction energy is higher for M(CO)+ t...

  15. Method of dissolving metal ruthenium

    International Nuclear Information System (INIS)

    Tsuno, Masao; Soda, Yasuhiko; Kuroda, Sadaomi; Koga, Tadaaki.

    1988-01-01

    Purpose: To dissolve and clean metal ruthenium deposited to the inner surface of a dissolving vessel for spent fuel rods. Method: Metal ruthenium is dissolved in a solution of an alkali metal hydroxide to which potassium permanganate is added. As the alkali metal hydroxide used herein there can be mentioned potassium hydroxide, sodium hydroxide and lithium hydroxide can be mentioned, which is used as an aqueous solution from 5 to 20 % concentration in view of the solubility of metal ruthenium and economical merit. Further, potassium permanganate is used by adding to the solution of alkali metal hydroxide at a concentration of 1 to 5 %. (Yoshihara, H.)

  16. A Quantitative Tunneling/Desorption Model for the Exchange Current at the Porous Electrode/Beta - Alumina/Alkali Metal Gas Three Phase Zone at 700-1300K

    Science.gov (United States)

    Williams, R. M.; Ryan, M. A.; Saipetch, C.; LeDuc, H. G.

    1996-01-01

    The exchange current observed at porous metal electrodes on sodium or potassium beta -alumina solid electrolytes in alkali metal vapor is quantitatively modeled with a multi-step process with good agreement with experimental results.

  17. Equilibrium electrode U(4)-U and redox U(4)-U(3) potentials in molten alkali metal chlorides medium

    Energy Technology Data Exchange (ETDEWEB)

    Smirnov, M V; Kudyakov, V Ya; Komarov, V E; Salyulev, A B [AN SSSR, Sverdlovsk. Inst. Ehlektrokhimii

    1979-02-01

    Conditional standard electrode potentials of uranium are determined for diluted solutions of its tetrachloride in alkali metal chloride melts (LiCl, NaCl, NaCl-KCl, KCl, RbCl and CsCl) when using U(4) ion activity coefficient values experimentally found by the tensimetric method. These potentials shift to the electronegative side at the temperature decrease and alkali cation radius increase rsub(Msup(+)) according to the empiric ratio E*U(4)-U= -3.06+6.87x10/sup -4/ T-(1.67-10/sup -4/T-0.44) 1/rsub(Msup(+)) +-0.01. The temperature dependences of formal conditional redox potentials of the U(4)-U(3) system for above melted chlorides are estimated. The E*U(4)-U(3) value also becomes more electronegative in the series LiCl, NaCl, NaCl-KCl, KCl, RbCl and CsCl. This alternation is satisfactorily described by the empiric expression E*U(4)-U(3)= -1.74+1.74x10/sup -4/T-(0.71x10/sup -4/T-0.20) 1rsub(Msup(+)) +-0.05. The calculated values Eu*(4)-U(3) are compared with those directly measured for the NaCl-KCl equimolar mixture and 3LiCl-2KCl eutectic mixture. A satisfactory confirmity has been observed.

  18. Equilibrium electrode U(4)-U and redox U(4)-U(3) potentials in molten alkali metal chlorides medium

    International Nuclear Information System (INIS)

    Smirnov, M.V.; Kudyakov, V.Ya.; Komarov, V.E.; Salyulev, A.B.

    1979-01-01

    Conditional standard electrode potentials of uranium are determined for diluted solutions of its tetrachloride in alkali metal chloride melts (LiCl, NaCl, NaCl-KCl, KCl, RbCl and CsCl) when using U(4) ion activity coefficient values experimentally found by the tensimetric method. These potentials shift to the electronegative side at the temperature decrease and alkali cation radius increase rsub(Msup(+)) according to the empiric ratio E*U(4)-U= -3.06+6.87x10 -4 T-(1.67-10 -4 T-0.44) 1/rsub(Msup(+)) +-0.01. The temperature dependences of formal conditional redox potentials of the U(4)-U(3) system for above melted chlorides are estimated. The E*U(4)-U(3) value also becomes more electronegative in the series LiCl, NaCl, NaCl-KCl, KCl, RbCl and CsCl. This alternation is satisfactorily described by the empiric expression E*U(4)-U(3)= -1.74+1.74x10 -4 T-(0.71x10 -4 T-0.20) 1rsub(Msup(+)) +-0.05. The calculated values Eu*(4)-U(3) are compared with those directly measured for the NaCl-KCl equimolar mixture and 3LiCl-2KCl eutectic mixture. A satisfactory confirmity has been observed

  19. Influence of alkali metal cations/type of activator on the structure of alkali-activated fly ash - ATR-FTIR studies

    Science.gov (United States)

    Król, M.; Rożek, P.; Chlebda, D.; Mozgawa, W.

    2018-06-01

    Coal fly ash as a secondary aluminosiliceous raw material that is commonly used in the so-called geopolymerization process has been activated with different alkali hydroxides solutions: LiOH, NaOH and KOH. Changes in the aluminosilicate structure of the material during alkali-activation have been analyzed in detail on the basis of ATR/FT-IR spectra. These changes mainly affect both the integral intensity and FWHM of bands in the range of 1200-950 cm-1, however dehydration and carbonation process can be also analyzed based on obtaining results.

  20. Sub-Shot-Noise Magnetometry with a Correlated Spin-Relaxation Dominated Alkali-Metal Vapor

    International Nuclear Information System (INIS)

    Kominis, I. K.

    2008-01-01

    Spin noise sets fundamental limits to the precision of measurements using spin-polarized atomic vapors, such as performed with sensitive atomic magnetometers. Spin squeezing offers the possibility to extend the measurement precision beyond the standard quantum limit of uncorrelated atoms. Contrary to current understanding, we show that, even in the presence of spin relaxation, spin squeezing can lead to a significant reduction of spin noise, and hence an increase in magnetometric sensitivity, for a long measurement time. This is the case when correlated spin relaxation due to binary alkali-atom collisions dominates independently acting decoherence processes, a situation realized in thermal high atom-density magnetometers and clocks

  1. Complexing properties of some carbamoylmethylphosphine oxides and methylenediphosphine dioxides with respect to alkali metal cations and the effect of abnormal aryl strengthening

    International Nuclear Information System (INIS)

    Evreinov, V.I.; Safronova, Z.V.; Yarkevich, A.N.; Kharitonov, A.V.; Bondarenko, N.A.; Tsvetkov, E.N.

    1999-01-01

    By the method of conductometry in anhydrous tetrahydrofuran at 25 Deg C stability constants of alkali metal (M = Li, Na, K) cation complexes with certain phosphinoxides have been determined. Abnormal aryl strengthening is first of all pronounced in the cation complexes with tetraphenyldiphosphine dioxide [ru

  2. Finite-field evaluation of the Lennard-Jones atom-wall interaction constant C3 for alkali-metal atoms

    International Nuclear Information System (INIS)

    Johnson, W.R.; Dzuba, V.A.; Safronova, U.I.; Safronova, M.S.

    2004-01-01

    A finite-field scaling method is applied to evaluate the Lennard-Jones interaction constant C 3 for alkali-metal atoms. The calculations are based on the relativistic single-double approximation in which single and double excitations of Dirac-Hartree-Fock wave functions are included to all orders in perturbation theory

  3. Cation and anion dependence of stable geometries and stabilization energies of alkali metal cation complexes with FSA(-), FTA(-), and TFSA(-) anions: relationship with physicochemical properties of molten salts.

    Science.gov (United States)

    Tsuzuki, Seiji; Kubota, Keigo; Matsumoto, Hajime

    2013-12-19

    Stable geometries and stabilization energies (Eform) of the alkali metal complexes with bis(fluorosulfonyl)amide, (fluorosulfonyl)(trifluoromethylslufonyl)amide and bis(trifluoromethylsulfonyl)amide (FSA(-), FTA(-) and TFSA(-)) were studied by ab initio molecular orbital calculations. The FSA(-) complexes prefer the bidentate structures in which two oxygen atoms of two SO2 groups have contact with the metal cation. The FTA(-) and TFSA(-) complexes with Li(+) and Na(+) prefer the bidentate structures, while the FTA(-) and TFSA(-) complexes with Cs(+) prefer tridentate structures in which the metal cation has contact with two oxygen atoms of an SO2 group and one oxygen atom of another SO2 group. The two structures are nearly isoenergetic in the FTA(-) and TFSA(-) complexes with K(+) and Rb(+). The magnitude of Eform depends on the alkali metal cation significantly. The Eform calculated for the most stable TFSA(-) complexes with Li(+), Na(+), K(+), Rb(+) and Cs(+) cations at the MP2/6-311G** level are -137.2, -110.5, -101.1, -89.6, and -84.1 kcal/mol, respectively. The viscosity and ionic conductivity of the alkali TFSA molten salts have strong correlation with the magnitude of the attraction. The viscosity increases and the ionic conductivity decreases with the increase of the attraction. The melting points of the alkali TFSA and alkali BETA molten salts also have correlation with the magnitude of the Eform, which strongly suggests that the magnitude of the attraction play important roles in determining the melting points of these molten salts. The anion dependence of the Eform calculated for the complexes is small (less than 2.9 kcal/mol). This shows that the magnitude of the attraction is not the cause of the low melting points of alkali FTA molten salts compared with those of corresponding alkali TFSA molten salts. The electrostatic interactions are the major source of the attraction in the complexes. The electrostatic energies for the most stable TFSA

  4. A study on the electrochemical behaviour of polypyrrole films in concentrated aqueous alkali halide electrolytes

    DEFF Research Database (Denmark)

    Jafeen, M. J. M.; Careem, M.A.; Skaarup, Steen

    2014-01-01

    transport in concentrated electrolytes is found to be very low. In dilute electrolytes, water molecules accompany counter ions as solvated molecules and due to osmotic effect. In concentrated electrolytes, water movement is less due to limited availability of free water as well as a smaller osmotic pressure...

  5. Development of processes for the production of solar grade silicon from halides and alkali metals, phase 1 and phase 2

    Science.gov (United States)

    Dickson, C. R.; Gould, R. K.; Felder, W.

    1981-01-01

    High temperature reactions of silicon halides with alkali metals for the production of solar grade silicon are described. Product separation and collection processes were evaluated, measure heat release parameters for scaling purposes and effects of reactants and/or products on materials of reactor construction were determined, and preliminary engineering and economic analysis of a scaled up process were made. The feasibility of the basic process to make and collect silicon was demonstrated. The jet impaction/separation process was demonstrated to be a purification process. The rate at which gas phase species from silicon particle precursors, the time required for silane decomposition to produce particles, and the competing rate of growth of silicon seed particles injected into a decomposing silane environment were determined. The extent of silane decomposition as a function of residence time, temperature, and pressure was measured by infrared absorption spectroscopy. A simplistic model is presented to explain the growth of silicon in a decomposing silane enviroment.

  6. Measuring the spin polarization of alkali-metal atoms using nuclear magnetic resonance frequency shifts of noble gases

    Directory of Open Access Journals (Sweden)

    X. H. Liu

    2015-10-01

    Full Text Available We report a novel method of measuring the spin polarization of alkali-metal atoms by detecting the NMR frequency shifts of noble gases. We calculated the profile of 87Rb D1 line absorption cross sections. We then measured the absorption profile of the sample cell, from which we calculated the 87Rb number densities at different temperatures. Then we measured the frequency shifts resulted from the spin polarization of the 87Rb atoms and calculated its polarization degrees at different temperatures. The behavior of frequency shifts versus temperature in experiment was consistent with theoretical calculation, which may be used as compensative signal for the NMRG closed-loop control system.

  7. Investigation of holmium(5) complexing in hydrofluoric acid solutions in the presence of alkali metal and ammonium fluorides

    International Nuclear Information System (INIS)

    Tsikaeva, D.V.; Agulyanskij, A.I.; Balabanov, Yu.I.; Kuznetsov, V.Ya.; Kalinnikov, V.T.

    1989-01-01

    Method of vibrational spectroscopy is used to study niobium-containing solutions of hydrofluoric acid in the presence of alkali metal and ammonium fluorides. It is shown that NbF 6 - and NbOF 5 2- ions co-exists in solutions, therewith, additions shift equilibrium to the second complex side. Methods of IR spectroscopy, roentgenometry, crystal optics and chemical analysis are used to identify precipitated from solutions solid phases. Three new phases, which composition by chemical analysis corresponds to M 3 Nb 2 OF 11 , where M=NH 4 , K, Rb, are detected. Their roentgenometric data displayed in tetragonal crystal system with a and c parameters equalling 15,710 and 7,744; 14,877 and 7,697; 15,511 and 7,785 A respectively, are presented

  8. Thermogravimetric method of estimation of uranyl cation state in melts of alkali metal chlorides and their mixtures

    International Nuclear Information System (INIS)

    Vorobej, M.P.; Desyatnik, V.N.

    1979-01-01

    The thermogravimetric method was used to study the chloridizing of uranium oxides in molten media. The study of the uranium oxide chloridizing served as a basis for evaluating comparatively, using the DTA method, the uranyl-cation state in a melt. Using the alkali metals as example, it was shown that the decomposition of the frozen uranium oxychlorides proceeds with the formation of intermediate chlorouranates. The final product of the thermolysis are uranates Me 2 U 2 O 7 (Me-Li, Na, K, Rb, Cs). The time and the conditions of the change of uranium oxides to the oxyanion [UO 2 Cl 4 ] 2- were determined as a function of the chloridizing agent. The method can be employed for evaluating uranyl-ions in molten media where they are used as electrolytes in the extraction of uranium dioxide

  9. Purification and characterization of an extracellular, thermo-alkali-stable, metal tolerant laccase from Bacillus tequilensis SN4.

    Directory of Open Access Journals (Sweden)

    Sonica Sondhi

    Full Text Available A novel extracellular thermo-alkali-stable laccase from Bacillus tequilensis SN4 (SN4LAC was purified to homogeneity. The laccase was a monomeric protein of molecular weight 32 KDa. UV-visible spectrum and peptide mass fingerprinting results showed that SN4LAC is a multicopper oxidase. Laccase was active in broad range of phenolic and non-phenolic substrates. Catalytic efficiency (kcat/Km showed that 2, 6-dimethoxyphenol was most efficiently oxidized by the enzyme. The enzyme was inhibited by conventional inhibitors of laccase like sodium azide, cysteine, dithiothreitol and β-mercaptoethanol. SN4LAC was found to be highly thermostable, having temperature optimum at 85°C and could retain more than 80% activity at 70°C for 24 h. The optimum pH of activity for 2, 6-dimethoxyphenol, 2, 2'-azino bis[3-ethylbenzthiazoline-6-sulfonate], syringaldazine and guaiacol was 8.0, 5.5, 6.5 and 8.0 respectively. Enzyme was alkali-stable as it retained more than 75% activity at pH 9.0 for 24 h. Activity of the enzyme was significantly enhanced by Cu2+, Co2+, SDS and CTAB, while it was stable in the presence of halides, most of the other metal ions and surfactants. The extracellular nature and stability of SN4LAC in extreme conditions such as high temperature, pH, heavy metals, halides and detergents makes it a highly suitable candidate for biotechnological and industrial applications.

  10. Defect formation and desorption of metal atoms from alkali halide crystals under low energy electron bombardment studied by optical absorption and mass spectroscopy

    International Nuclear Information System (INIS)

    Seifert, N.R.

    1993-04-01

    This work presents an extensive investigation of electronically induced desorption of ground-state alkali atoms from alkali halides and for the first time correlates directly the desorption with the stability and spatial distribution of the defects formed during bombardment. The electron impact results in the formation of stable F-centers and F-center clusters in the bulk of the crystals. In striking contrast a significant metallization of the surface is observed. Even at temperatures as low as 90 deg C the metallization is achieved within the time resolution of our detection system, which can only be explained by the rapid diffusion of hot holes. Superimposed to the fast and short diffusion of hot holes is the slow F-center diffusion. Measuring the distribution of defects with low energy ion sputtering techniques indicates that at least in the case of LiF the observed diffusion constant of F-centers agrees with values derived by using methods different from that applied here. At low temperatures the formation of F-center clusters and metal on the surface dominates. Colloid formation clearly requires higher temperatures (typically around 200 deg C). This is a strong evidence that efficient F-center diffusion is necessary for the formation of metallic particles (colloids) in the bulk of the crystals. Desorption of alkali atoms from alkali halides at temperatures around room temperature is due to weakly bound alkali atoms. For elevated temperatures the stability of the metallic clusters in the bulk of the crystals (i.e. colloids) are the rate limiting process. (author)

  11. Effect of electrolyte sorbed by nonion-exchange mechanism on the state and diffusive mobility of water and alkali metal ions in perfluorinated sulfocationic membranes from NMR data

    International Nuclear Information System (INIS)

    Volkov, V.I.; Sidorenkova, E.A.; Korochkova, S.A.; Novikov, N.A.; Sokol'skaya, I.B.; Timashev, S.F.

    1994-01-01

    On the basis of data of high-resolution NMR on 1 H nuclei of water, 23 Na and 133 Cs, of counterions Na + and Ca + the influence of nonionexchange sorved alkalis and metal chlorides on the state and diffusive mobility of the counterions was studied. It is shown that the type of co-ion can affect considerably the translational diffusion of metal ions

  12. 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.)

  13. Enhanced brightness of organic light-emitting diodes based on Mg:Ag cathode using alkali metal chlorides as an electron injection layer

    International Nuclear Information System (INIS)

    Zou Ye; Deng Zhenbo; Xu Denghui; Lü Zhaoyue; Yin Yuehong; Du Hailiang; Chen Zheng; Wang Yongsheng

    2012-01-01

    Different thicknesses of cesium chloride (CsCl) and various alkali metal chlorides were inserted into organic light-emitting diodes (OLEDs) as electron injection layers (EILs). The basic structure of OLED is indium tin oxide (ITO)/N,N′-diphenyl-N,N′-bis(1-napthyl-phenyl)-1.1′-biphenyl-4.4′-diamine (NPB)/tris-(8-hydroxyquinoline) aluminum (Alq 3 )/Mg:Ag/Ag. The electroluminescent (EL) performance curves show that both the brightness and efficiency of the OLEDs can be obviously enhanced by using a thin alkali metal chloride layer as an EIL. The electron injection barrier height between the Alq 3 layer and Mg:Ag cathode is reduced by inserting a thin alkali metal chloride as an EIL, which results in enhanced electron injection and electron current. Therefore, a better balance of hole and electron currents at the emissive interface is achieved and consequently the brightness and efficiency of OLEDs are improved. - Highlights: ► Alkaline metal chlorides were used as electron injection layers in organic light-emitting diodes based on Mg:Ag cathode. ► Brightness and efficiency of OLEDs with alkaline metal chlorides as electron injection layers were all greatly enhanced. ► The Improved OLED performance was attributed to the possible interfacial chemical reaction. ► Electron-only devices are fabricated to demonstrate the electron injection enhancement.

  14. Concentration and Health Implication of Heavy Metals in Drinking ...

    African Journals Online (AJOL)

    Concentration and Health Implication of Heavy Metals in Drinking Water from Urban ... water is not mentioned by WHO, but all the samples analyzed were found to ... Key words: Drinking water quality, Heavy metals, Maximum admissible limit, ...

  15. Trend of Heavy Metal Concentrations in Lagos Lagoon Ecosystem

    African Journals Online (AJOL)

    komla

    The distribution and occurrence of heavy metals in the sediment, water and benthic animals of the Lagos lagoon ... The concentrations of the metals detected in the lagoon sediment and water ..... waste products contaminating water sources.

  16. Metallic Concentration in Karnaphuly Estuary Sediment Using Neutron Activation Analysis Technique

    International Nuclear Information System (INIS)

    Rahman, A.K.M.R.; Chakroborty, S.R.; Roy, P.K.; Dev, A.K.

    2013-01-01

    Thousands of tonnes of liquid waste, dirt and garbage from different mills and factories from Kaptai to Chittagong are dumped unhindered into the Karnaphuli River. Pollutants enter the river directly from urban sewerage and industrial waste discharges. Ships pollute waterways in many ways. All theses can contribute to the heavy and other metals of the water bodies. To find out concentration of different metallic elements and make a comparison with the world reference values twenty one surface sediment samples were collected from the different locations of Karnaphuly River near Chittagong city drainage outlet. Neutron Activation Analysis (NAA) technique was used for detecting the concentration qualitatively and quantitatively using the 3 MW TRIGA MARK II research reactor of Atomic Energy Research Establishment, Savar, Dhaka. Pearson correlation among the elements obtained using SPSS software. Three transitional metals Fe, Cr and Co, two alkali metals Rb and Na, two lanthanides La and Ce, and two metalloids As and Sb were determined. The concentrations of elements were compared with the world reference values. Some elements are found in elevated level. (author)

  17. Thermodynamics of the heating of titanium magnetite concentrate in the presence of different alkali salts

    International Nuclear Information System (INIS)

    Paunova, R.; Marinov, M.; Ivanov, J.

    2003-01-01

    Thermodynamics of the processes of heating of titanium magnetite concentrate in the presence of 6% Na 2 CO 3 , 6% Na 2 SO 4 and 6% NaCl has been studied using the EMF method and X-rays analysis. The experiments were carried out in the temperature range 973 K - 1273 K. Functional relationships as InP'o 2 = f(T) and EMF = f(T) for the processes taking place within the concentrate were described for a fixed temperature range. The X-ray and Moessbauer spectroscopy analysis of the end products of the mixture with 6% Na 2 CO 3 shows Fe 3 O 4 (51.31%), FeO (26.86%), Fe 2 O 3 (15.46%) and NaFeO 2 (6.38%). The free phases of vanadates can not be observed probably because they are formed in quantity less than 5%. So they can not be marked on the X-ray patterns. The X-ray analysis of the end products of the mixtures with Na 2 SO 4 and NaCl presents decreasing of the magnetite and wustite quantities because of hematite increasing. The oxygen partial pressure data of the mixture with 6% Na 2 CO 3 show that the galvanic cell registers not only Po 2 on the border Fe 3 O 4 ↔FeO and also Po 2 (CO 2 ) and Po 2 of the new phase (NaFeO 2 ). It was found out that the processes running by heating of the mixture with Na 2 SO4 are carried on the border Fe3O 4 ↔FeO at the temperatures above 1073 K. The experimental lgPo 2 results for mixture with 6% NaCl (Table 4) are lower than theoretically calculated for Fe 3 O 4 ↔FeO equilibrium. It is due to the fact that the chlorine is a strong oxidant and contributes to increase of the part of Fe 2 O 3 quantity. (Original)

  18. Thermal expansion of NZP-family alkali-metal (Na, K) zirconium phosphates

    International Nuclear Information System (INIS)

    Orlova, A.I.; Kemenov, D.V.; Pet'kov, V.I.; Samojlov, S.G.; Kazantsev, G.N.

    2000-01-01

    By means of high-temperature X-ray diffraction one investigated into thermal expansion of alkali-zirconium phosphates crystallizing in NaZr 2 (PO 4 ) 3 structure type within 20-700 deg C temperature range. One synthesized phosphates of A x Zr 2.25-0.25x (PO 4 ) 3 type two series where A-Na (x = 0.5; 1.0; 2.0; 3.0; 4.0; 5.0) and K (x = 1.0; 3.0; 5.0). One calculated for them a and c parameters of the elementary cells and α a and α c linear expansion temperature coefficients. Anisotropy of thermal expansion the maximum one for AZr 2 (PO 4 ) 3 and Na 5 Zr(PO 4 ) 3 phosphates was determined. K 5 Zr(PO 4 ) 3 compound was characterized by the minimum thermal expansion at the near-zero anisotropy of Na 5 Zr(PO 4 ) 3 [ru

  19. Melt cationic and anionic composition effect on titanium group metal corrosion in halogenides of alkali earths

    International Nuclear Information System (INIS)

    Tkhaj, V.; Kovalik, O.Yu.; Dikunov, Yu.G.; P'yankova, S.P.

    1997-01-01

    A study was made on interaction of titanium group metals with melts of chlorides and chloride-fluorides of alkaline earth metals and magnesium. It was revealed that the rate of metal corrosion increased from BaCl 2 2 2 2 in chloride series. It is explained by amplification of oxidation activity of salt cation in the series: Ba 2+ 2+ 2+ 2+ . It was also determined that corrosion rate of titanium exceeded the one of zirconium and hafnium, became reducing power of titanium was the highest in the given group

  20. Clustering of nucleosides in the presence of alkali metals: Biologically relevant quartets of guanosine, deoxyguanosine and uridine observed by ESI-MS/MS.

    Science.gov (United States)

    Aggerholm, Tenna; Nanita, Sergio C; Koch, Kim J; Cooks, R Graham

    2003-01-01

    Electrospray ionization (ESI) mass spectra of nucleosides, recorded in the presence of alkali metals, display alkali metal ion-bound quartets and other clusters that may have implications for understanding non-covalent interactions in DNA and RNA. The tetramers of guanosine and deoxyguanosine and also their metaclusters (clusters of clusters), cationized by alkali metals, were observed as unusually abundant magic number clusters. The observation of these species in the gas phase parallels previous condensed-phase studies, which show that guanine derivatives can form quartets and metaclusters of quartets in solution in the presence of metal cations. This parallel behavior and also internal evidence suggest that bonding in the guanosine tetramers involves the bases rather than the sugar units. The nucleobases thymine and uracil are known to form magic number pentameric adducts with K+, Cs+ and NH4+ in the gas phase. In sharp contrast, we now show that the nucleosides uridine and deoxythymidine do not form the pentameric clusters characteristic of the corresponding bases. More subtle effects of the sugars are evident in the fact that adenosine and cytidine form numerous higher order clusters with alkali metals, whereas deoxyadenosine and deoxycytidine show no clustering. It is suggested that hydrogen bonding between the bases in the tetramers of dG and rG are the dominant interactions in the clusters, hence changing the ribose group to deoxyribose (and vice versa) generally has little effect. However, the additional hydroxyl group of RNA nucleosides enhances the non-selective formation of higher-order aggregates for adenosine and cytidine and results in the lack of highly stable magic number clusters. Some clusters are the result of aggregation in the course of ionization (ESI) whereas others appear to be intrinsic to the solution being examined. Copyright 2003 John Wiley & Sons, Ltd.

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

    Science.gov (United States)

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

    2016-04-05

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

  2. Synthesis and Characterization of Novel Ternary and Quaternary Alkali Metal Thiophosphates

    KAUST Repository

    Alahmary, Fatimah S.

    2014-01-01

    The ongoing development of nonlinear optical (NLO) crystals such as coherent mid-IR sources focuses on various classes of materials such as ternary and quaternary metal chalcophosphates. In case of thiophosphates, the connection between PS4

  3. ALKALI RESISTANT CATALYST

    DEFF Research Database (Denmark)

    2008-01-01

    The present invention concerns the selective removal of nitrogen oxides (NOx) from gasses. In particular, the invention concerns a process, a catalyst and the use of a catalyst for the selective removal of nitrogen oxides in the presence of ammonia from gases containing a significant amount...... of alkali metal and/or alkali-earth compounds which process comprises using a catalyst combined of (i) a formed porous superacidic support, said superacidic support having an Hammett acidity stronger than Ho=-12, and (ii) a metal oxide catalytic component deposited on said superacidic support selected from...

  4. Density functional study of isoguanine tetrad and pentad sandwich complexes with alkali metal ions.

    Science.gov (United States)

    Meyer, Michael; Steinke, Thomas; Sühnel, Jürgen

    2007-02-01

    Isoguanine tetraplexes and pentaplexes contain two or more stacked polyads with intercalating metal ions. We report here the results of a density functional study of sandwiched isoguanine tetrad and pentad complexes consisting of two polyads with Na(+), K(+) and Rb(+) ions at the B3LYP level. In comparison to single polyad metal ion complexes, there is a trend towards increased non-planarity of the polyads in the sandwich complexes. In general, the pentad sandwiches have relatively planar polyad structures, whereas the tetrad complexes contain highly non-planar polyad building blocks. As in other sandwich complexes and in metal ion complexes with single polyads, the metal ion-base interaction energy plays an essential role. In iG sandwich structures, this interaction energy is slightly larger than in the corresponding guanine sandwich complexes. Because the base-base interaction energy is even more increased in passing from guanine to isoguanine, the isoguanine sandwiches are thus far the only examples where the base-base interaction energy is larger than the base-metal ion interaction energy. Stacking interactions have been studied in smaller models consisting of two bases, retaining the geometry from the complete complex structures. From the data obtained at the B3LYP and BH&H levels and with Møller-Plesset perturbation theory, one can conclude that the B3LYP method overestimates the repulsion in stacked base dimers. For the complexes studied in this work, this is only of minor importance because the direct inter-tetrad or inter-pentad interaction is supplemented by a strong metal ion-base interaction. Using a microsolvation model, the metal ion preference K(+) approximately Rb(+) > Na(+) is found for tetrad complexes. On the other hand, for pentads the ordering is Rb(+) > K(+) > Na(+). In the latter case experimental data are available that agree with this prediction.

  5. Vacancy defects and defect clusters in alkali metal ion-doped MgO nanocrystallites studied by positron annihilation and photoluminescence spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Sellaiyan, S.; Uedono, A. [University of Tsukuba, Division of Applied Physics, Tsukuba, Ibaraki (Japan); Sivaji, K.; Janet Priscilla, S. [University of Madras, Department of Nuclear Physics, Chennai (India); Sivasankari, J. [Anna University, Department of Physics, Chennai (India); Selvalakshmi, T. [National Institute of Technology, Nanomaterials Laboratory, Department of Physics, Tiruchirappalli (India)

    2016-10-15

    Pure and alkali metal ion (Li, Na, and K)-doped MgO nanocrystallites synthesized by solution combustion technique have been studied by positron lifetime and Doppler broadening spectroscopy methods. Positron lifetime analysis exhibits four characteristic lifetime components for all the samples. Doping reduces the Mg vacancy after annealing to 800 C. It was observed that Li ion migrates to the vacancy site to recover Mg vacancy-type defects, reducing cluster vacancies and micropores. For Na- and K-doped MgO, the aforementioned defects are reduced and immobile at 800 C. Coincidence Doppler broadening studies show the positron trapping sites as vacancy clusters. The decrease in the S parameter is due to the particle growth and reduction in the defect concentration at 800 C. Photoluminescence study shows an emission peak at 445 nm and 498 nm, associated with F{sub 2} {sup 2+} and recombination of higher-order vacancy complexes. Further, annealing process is likely to dissociate F{sub 2} {sup 2+} to F{sup +} and this F{sup +} is converted into F centers at 416 nm. (orig.)

  6. Vacancy defects and defect clusters in alkali metal ion-doped MgO nanocrystallites studied by positron annihilation and photoluminescence spectroscopy

    Science.gov (United States)

    Sellaiyan, S.; Uedono, A.; Sivaji, K.; Janet Priscilla, S.; Sivasankari, J.; Selvalakshmi, T.

    2016-10-01

    Pure and alkali metal ion (Li, Na, and K)-doped MgO nanocrystallites synthesized by solution combustion technique have been studied by positron lifetime and Doppler broadening spectroscopy methods. Positron lifetime analysis exhibits four characteristic lifetime components for all the samples. Doping reduces the Mg vacancy after annealing to 800 °C. It was observed that Li ion migrates to the vacancy site to recover Mg vacancy-type defects, reducing cluster vacancies and micropores. For Na- and K-doped MgO, the aforementioned defects are reduced and immobile at 800 °C. Coincidence Doppler broadening studies show the positron trapping sites as vacancy clusters. The decrease in the S parameter is due to the particle growth and reduction in the defect concentration at 800 °C. Photoluminescence study shows an emission peak at 445 nm and 498 nm, associated with F2 2+ and recombination of higher-order vacancy complexes. Further, annealing process is likely to dissociate F2 2+ to F+ and this F+ is converted into F centers at 416 nm.

  7. Ion chromatography with the indirect ultraviolet detection of alkali metal ions and ammonium using imidazolium ionic liquid as ultraviolet absorption reagent and eluent.

    Science.gov (United States)

    Liu, Yong-Qiang; Yu, Hong

    2016-08-01

    Indirect ultraviolet detection was conducted in ultraviolet-absorption-agent-added mobile phase to complete the detection of the absence of ultraviolet absorption functional group in analytes. Compared with precolumn derivatization or postcolumn derivatization, this method can be widely used, has the advantages of simple operation and good linear relationship. Chromatographic separation of Li(+) , Na(+) , K(+) , and NH4 (+) was performed on a carboxylic acid base cation exchange column using imidazolium ionic liquid/acid/organic solvent as the mobile phase, in which imidazolium ionic liquids acted as ultraviolet absorption reagent and eluting agent. The retention behaviors of four kinds of cations are discussed, and the mechanism of separation and detection are described. The main factors influencing the separation and detection were the background ultraviolet absorption reagent and the concentration of hydrogen ion in the ion chromatography-indirect ultraviolet detection. The successful separation and detection of Li(+) , Na(+) , K(+) , and NH4 (+) within 13 min was achieved using the selected chromatographic conditions, and the detection limits (S/N = 3) were 0.02, 0.11, 0.30, and 0.06 mg/L, respectively. A new separation and analysis method of alkali metal ions and ammonium by ion chromatography with indirect ultraviolet detection method was developed, and the application range of ionic liquid was expanded. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Vacancy defects and defect clusters in alkali metal ion-doped MgO nanocrystallites studied by positron annihilation and photoluminescence spectroscopy

    International Nuclear Information System (INIS)

    Sellaiyan, S.; Uedono, A.; Sivaji, K.; Janet Priscilla, S.; Sivasankari, J.; Selvalakshmi, T.

    2016-01-01

    Pure and alkali metal ion (Li, Na, and K)-doped MgO nanocrystallites synthesized by solution combustion technique have been studied by positron lifetime and Doppler broadening spectroscopy methods. Positron lifetime analysis exhibits four characteristic lifetime components for all the samples. Doping reduces the Mg vacancy after annealing to 800 C. It was observed that Li ion migrates to the vacancy site to recover Mg vacancy-type defects, reducing cluster vacancies and micropores. For Na- and K-doped MgO, the aforementioned defects are reduced and immobile at 800 C. Coincidence Doppler broadening studies show the positron trapping sites as vacancy clusters. The decrease in the S parameter is due to the particle growth and reduction in the defect concentration at 800 C. Photoluminescence study shows an emission peak at 445 nm and 498 nm, associated with F_2 "2"+ and recombination of higher-order vacancy complexes. Further, annealing process is likely to dissociate F_2 "2"+ to F"+ and this F"+ is converted into F centers at 416 nm. (orig.)

  9. Seasonal variation in heavy metal concentration in mangrove foliage

    Digital Repository Service at National Institute of Oceanography (India)

    Untawale, A.G.; Wafar, S.; Bhosle, N.B.

    Seasonal variation in the concentration of some heavy metals in the leaves of seven species of mangrove vegetation from Goa, revealed that maximum concentration of iron and manganese occurs during the monsoon season without any significant toxic...

  10. Metals in the Scheldt estuary: From environmental concentrations to bioaccumulation.

    Science.gov (United States)

    Van Ael, Evy; Blust, Ronny; Bervoets, Lieven

    2017-09-01

    To investigate the relationship between metal concentrations in abiotic compartments and in aquatic species, sediment, suspended matter and several aquatic species (Polychaeta, Oligochaeta, four crustacean species, three mollusc species and eight fish species) were collected during three seasons at six locations along the Scheldt estuary (the Netherlands-Belgium) and analysed on their metal content (Ag, Cd, Co, Cr, Cu, Ni, Pb, Zn and the metalloid As). Sediment and biota tissue concentrations were significantly influenced by sampling location, but not by season. Measurements of Acid Volatile Sulphides (AVS) concentrations in relation to Simultaneously Extracted Metals (SEM) in the sediment suggested that not all metals in the sediment will be bound to sulphides and some metals might be bioavailable. For all metals but zinc, highest concentrations were measured in invertebrate species; Ag and Ni in periwinkle, Cr, Co and Pb in Oligochaete worms and As, Cd and Cu in crabs and shrimp. Highest concentrations of Zn were measured in the kidney of European smelt. In fish, for most of the metals, the concentrations were highest in liver or kidney and lowest in muscle. For Zn however, highest concentrations were measured in the kidney of European smelt. For less than half of the metals significant correlations between sediment metal concentrations and bioaccumulated concentrations were found (liver/hepatopancreas or whole organism). To calculate the possible human health risk by consumption, average and maximum metal concentrations in the muscle tissues were compared to the minimum risk levels (MRLs). Concentrations of As led to the highest risk potential for all consumable species. Cadmium and Cu posed only a risk when consuming the highest contaminated shrimp and shore crabs. Consuming blue mussel could result in a risk for the metals As, Cd and Cr. Copyright © 2017 Elsevier Ltd. All rights reserved.

  11. 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.

  12. Adsorption of alkali, alkaline-earth, simple and 3d transition metal, and nonmetal atoms on monolayer MoS{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Li, X. D.; Fang, Y. M.; Wu, S. Q., E-mail: zzhu@xmu.edu.cn, E-mail: wsq@xmu.edu.cn [Department of Physics and Institute of Theoretical Physics and Astrophysics, Xiamen University, Xiamen 361005 (China); Zhu, Z. Z., E-mail: zzhu@xmu.edu.cn, E-mail: wsq@xmu.edu.cn [Department of Physics and Institute of Theoretical Physics and Astrophysics, Xiamen University, Xiamen 361005 (China); Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen 361005 (China)

    2015-05-15

    Single adsorption of different atoms on pristine two-dimensional monolayer MoS{sub 2} 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 MoS{sub 2}. Additionally, local or long-range magnetic moments of two-dimensional MoS{sub 2} sheet can also attained through the adsorption. The detailed atomic-scale knowledge of single adsorption on MoS{sub 2} monolayer is important not only for the sake of a theoretical understanding, but also device level deposition technological application.

  13. Synthesis and crystal structure of alkali metal diamido dioxosilicates M2SiO2(NH2)2 with M corresponds to K, Rb and Cs

    International Nuclear Information System (INIS)

    Jacobs, H.; Mengis, H.

    1993-01-01

    SiO 2 - α-quartz - reacts with alkali metal amides MNH 2 (M corresponds to K, Rb, and Cs) in molar ratios from 1:2 to 1:10 at 450 C ≤ T ≤ 600 C and P(NH 3 ) = 6 kbar in autoclaves to diamidodioxosilicates M[SiO 2 (NH 2 ) 2 ]. Crystals of the colourless compounds which hydrolyze rapidly were investigated by X-ray methods. (orig.)

  14. Rice Na+/H+- antiporter Nhx1 partially complements the alkali-metal-cation sensitivity of yeast strains lacking three sodium transporters

    Czech Academy of Sciences Publication Activity Database

    Kinclová-Zimmermannová, Olga; Flegelová, Hana; Sychrová, Hana

    2004-01-01

    Roč. 49, č. 5 (2004), s. 519-525 ISSN 0015-5632 R&D Projects: GA ČR GA204/02/1240; GA AV ČR IAA5011407 Grant - others:EU(XE) QLK3-CT-2001-00533 Institutional research plan: CEZ:AV0Z5011922 Keywords : alkali metal cations * Na/H antiporter * yeast Subject RIV: EB - Genetics ; Molecular Biology Impact factor: 1.034, year: 2004

  15. A binary catalyst system of a cationic Ru-CNC pincer complex with an alkali metal salt for selective hydroboration of carbon dioxide.

    Science.gov (United States)

    Ng, Chee Koon; Wu, Jie; Hor, T S Andy; Luo, He-Kuan

    2016-09-27

    Binary catalyst systems comprising a cationic Ru-CNC pincer complex and an alkali metal salt were developed for selective hydroboration of CO 2 utilizing pinacolborane at r.t. and 1 atm CO 2 , with the combination of [Ru(CNC Bn )(CO) 2 (H)][PF 6 ] and KOCO 2 t Bu producing formoxyborane in 76% yield. A bicyclic catalytic mechanism was proposed and discussed.

  16. Metals in the Scheldt estuary: From environmental concentrations to bioaccumulation

    International Nuclear Information System (INIS)

    Van Ael, Evy; Blust, Ronny; Bervoets, Lieven

    2017-01-01

    To investigate the relationship between metal concentrations in abiotic compartments and in aquatic species, sediment, suspended matter and several aquatic species (Polychaeta, Oligochaeta, four crustacean species, three mollusc species and eight fish species) were collected during three seasons at six locations along the Scheldt estuary (the Netherlands-Belgium) and analysed on their metal content (Ag, Cd, Co, Cr, Cu, Ni, Pb, Zn and the metalloid As). Sediment and biota tissue concentrations were significantly influenced by sampling location, but not by season. Measurements of Acid Volatile Sulphides (AVS) concentrations in relation to Simultaneously Extracted Metals (SEM) in the sediment suggested that not all metals in the sediment will be bound to sulphides and some metals might be bioavailable. For all metals but zinc, highest concentrations were measured in invertebrate species; Ag and Ni in periwinkle, Cr, Co and Pb in Oligochaete worms and As, Cd and Cu in crabs and shrimp. Highest concentrations of Zn were measured in the kidney of European smelt. In fish, for most of the metals, the concentrations were highest in liver or kidney and lowest in muscle. For Zn however, highest concentrations were measured in the kidney of European smelt. For less than half of the metals significant correlations between sediment metal concentrations and bioaccumulated concentrations were found (liver/hepatopancreas or whole organism). To calculate the possible human health risk by consumption, average and maximum metal concentrations in the muscle tissues were compared to the minimum risk levels (MRLs). Concentrations of As led to the highest risk potential for all consumable species. Cadmium and Cu posed only a risk when consuming the highest contaminated shrimp and shore crabs. Consuming blue mussel could result in a risk for the metals As, Cd and Cr. - Highlights: • This is the first study investigating metal distribution along the aquatic ecosystem of the Scheldt

  17. Optimized random phase approximation for the structure of liquid alkali metals as electron-ion plasmas

    International Nuclear Information System (INIS)

    Senatore, G.; Tosi, M.P.; Trieste Univ.

    1981-08-01

    The purpose of this letter is to stress that the way towards an unconventional optimized-random-phase-approximation (ORPA) approach to the structure of liquid metals is indicated, and in fact already a good first-order solution for such an approach is provided

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

    Science.gov (United States)

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

    2017-06-01

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

  19. Quantum Chemical and FTIR Spectroscopic Studies on the Linkage Isomerism of Carbon Monoxide in Alkali-Metal-Exchanged Zeolites: A Review of Current Research

    Directory of Open Access Journals (Sweden)

    E. Garrone

    2002-07-01

    Full Text Available Abstract: When adsorbed (at a low temperature on alkali-metal-exchanged zeolites, CO forms both M(CO+ and M(OC+ carbonyl species with the extra-framework alkali-metal cation of the zeolite. Both quantum chemical and experimental results show that C-bondend adducts are characterized by a C−O stretching IR band at a frequency higher than that of 2143 cm-1 for free CO, while for O-bonded adducts this IR band appears below 2143 cm-1. The cation-CO interaction energy is higher for M(CO+ than for M(OC+ carbonyls, although the corresponding difference decreases substantially when going from Li+ to Cs+. By means of variable-temperature FTIR spectroscopy, this energy difference was determined for several alkali-metal cations, and the existence of a thermal equilibrium between M(CO+ and M(OC+ species was established. The current state of research in this field is reviewed here, with a view to gain more insight into the thermal isomerization process.

  20. Cleavage reactions of the complex ions derived from self-complementary deoxydinucleotides and alkali-metal ions using positive ion electrospray ionization with tandem mass spectrometry.

    Science.gov (United States)

    Xiang, Yun; Abliz, Zeper; Takayama, Mitsuo

    2004-05-01

    The dissociation reactions of the adduct ions derived from the four self-complementary deoxydinucleotides, d(ApT), d(TpA), d(CpG), d(GpC), and alkali-metal ions were studied in detail by positive ion electrospray ionization multiple-stage mass spectrometry (ESI-MS(n)). For the [M + H](+) ions of the four deoxydinucleotides, elimination of 5'-terminus base or loss of both of 5'-terminus base and a deoxyribose were the major dissociation pathway. The ESI-MS(n) spectra showed that Li(+), Na(+), and Cs(+) bind to deoxydinucleotides mainly by substituting the H(+) of phosphate group, and these alkali-metal ions preferred to bind to pyrimidine bases rather than purine bases. For a given deoxydinucleotide, the dissociation pathway of [M + K](+) ions differed clearly from that of [M + Li](+), [M + Na](+), and [M + Cs](+) ions. Some interesting and characteristic cleavage reactions were observed in the product-ion spectra of [M + K](+) ions, including direct elimination of deoxyribose and HPO(3) from molecular ions. The fragmentation behavior of the [M + K](+) and [M + W](+) (W = Li, Na, Cs) adduct ions depend upon the sequence of bases, the interaction between alkali-metal ions and nucleobases, and the steric hindrance caused by bases.

  1. Fates and roles of alkali and alkaline earth metal species during the pyrolysis and gasification of a Victorian lignite

    Energy Technology Data Exchange (ETDEWEB)

    Mody, D.; Wu, H.; Li, C. [Monash University, Vic. (Australia). CRC for Clean Power from Lignite, Dept. of Chemical Engineering

    2000-07-01

    The transformation of alkali and alkaline earth metal (AAEM) species in a Victorian lignite during the pyrolysis and subsequent gasification in CO{sub 2} was studied in a novel quartz fluidised-bed reactor. Lignite samples prepared by physically adding NaCl and ion-exchanging Na{sup +} and Ca{sup ++} into the lignite were used to investigate the effects of chemical forms and valency of the AAEM species in the substrate lignite on their transformation during pyrolysis and gasification. Carboxyl-bound Na was found to be less volatile than Na present as NaCl, but more volatile than carboxyl-bound Ca during pyrolysis at temperatures between 400 and 900{sup o}C. However, the carboxyl-bound Na was volatilised to a much greater extent than the carboxyl-bound Ca in the same lignite during pyrolysis. It was seen that the loading of NaCl into the lignite did not significantly affect the char reactivity in the fluidised-bed reactor at 900{sup o}C.

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

    Science.gov (United States)

    Zhang, Yafei; Cheng, Xinlu

    2018-04-01

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

  3. Modification of the method of polarized orbitals for electron--alkali-metal scattering: Application to e-Li

    International Nuclear Information System (INIS)

    Bhatia, A.K.; Temkin, A.; Silver, A.; Sullivan, E.C.

    1978-01-01

    The method of polarized orbitals is modified to treat low-energy scattering of electrons from highly polarizable systems, specifically alkali-metal atoms. The modification is carried out in the particular context of the e-Li system, but the procedure is general; it consists of modifying the polarized orbital, so that when used in the otherwise orthodox form of the method, it gives (i) the correct electron affinity of the negative ion (in this case Li - ), (ii) the proper (i.e., Levinson-Swan) number of nodes of the associated zero-energy scattering orbital, and (iii) the correct polarizability. A procedure is devised whereby the scattering length can be calculated from the (known) electron affinity without solving the bound-state equation. Using this procedure we adduce a 1 S scattering length of 8.69a 0 . (The 3 S scattering length is -9.22a 0 .) The above modifications can also be carried out in the (lesser) exchange adiabatic approximation. However, they lead to qualitatively incorrect 3 S phase shifts. The modified polarized-orbital phase shifts are qualitatively similar to close-coupling and elaborate variational calculations. Quantitative differences from the latter calculations, however, remain; they are manifested most noticeably in the very-low-energy total and differential spin-flip cross sections

  4. ESR investigation of alkali metal complexes of galvinoxyl-labeled benzo-15-crown-5 in frozen solution

    International Nuclear Information System (INIS)

    Mukai, Kazuo; Iida, Nobuhito; Ishizu, Kazuhiko

    1982-01-01

    A stable galvinoxyl derivative (1) of benzo-15-crown-5 was prepared and the complex formation between the spin labeled crown ether 1 and the alkali metal and ammonium salts was studied by the ESR technique. Existence of the (2:1) complex of 1 with potassium, rubidium, and ammonium salts was confirmed by the observation of the triplet ESR spectra in ethanol rigid matrix at 77K. Essentially the same g- and D-tensor values are observed for all the (2:1) complexes, indicating similar conformation of the ligand mole cule 1. The zero-field splitting parameters (D and E) are calculated on the basis of the spin distribution of 1 and the assumed molecular structures for the (2:1) complex. By comparing the observed D and E parameters with the calculated ones, the structure of the (2:1) complex in ethanol rigid matrix is discussed. On the other hand, the sodium complexes of 1 show a slightly asymmetric single line, suggesting the (1:1) complex formation btween 1 and the sodium salts. No anions (SCN - , Br - , and I - ) have any appreciable effect on the ESR spectra of both the (2:1) and (1:1) complexes. (author)

  5. Solubility of some phenolic compounds in aqueous alkali metal nitrate solutions from (293.15 to 318.15) K

    Energy Technology Data Exchange (ETDEWEB)

    Noubigh, Adel [Laboratoire de Physico-chimie des materiaux, IPEST, BP51, 2070 La MARSA (Tunisia)], E-mail: Adel.anoubigh@ipest.rnu.tn; Cherif, Mourad [IPEIEM, Universite de Tunis-El Manar, BP244. 2096. El Manar II (Tunisia); Provost, Elise [Laboratoire Chimie et procedes, ENSTA, 32 Rue de Boulevard Victor, 75739 Paris, Cedex 15 (France); Abderrabba, Manef [Laboratoire de Physico-chimie des materiaux, IPEST, BP51, 2070 La MARSA (Tunisia)

    2008-11-15

    This paper is continuation of the study concerning the solubility-temperature dependence data for some phenolic compounds (PhC), contained in olive mill wastewater (OMWW), in two nitrate salts (KNO{sub 3} and NaNO{sub 3}) aqueous solutions. The solubilities of PhC were determined in the temperature ranging from (293.15 to 318.15) K. It has been observed that the solubility, in aqueous nitrate solutions, increases with increasing temperature. Results showed that alkali metal nitrate has a salting-out effect on the solubility of PhC. The effect of the anion of the electrolyte on the solubility of PhC is observed by comparing these results with values reported in the previous papers for the effect of LiCl, NaCl and KCl. For each cation, the solubilites of the phenolic compounds are higher with nitrate anion than with chloride anion. Results were interpreted in terms of the salt hydration shells and the ability of the solute to form hydrogen-bond with water. The solubility data were accurately correlated by a semi empirical equation. The standard molar Gibbs free energies of transfer of PhC ({delta}{sub tr}G{sup 0}) from pure water to aqueous solutions of the nitrate salts have been calculated from the solubility data. The decrease in solubility is correlated to the positive {delta}{sub tr}G{sup 0} value which is mainly of enthalpic origin.

  6. Performance and impedance studies of thin, porous molybdenum and tungsten electrodes for the alkali metal thermoelectric converter

    Science.gov (United States)

    Wheeler, B. L.; Williams, R. M.; Jeffries-Nakamura, B.; Lamb, J. L.; Loveland, M. E.; Bankston, C. P.; Cole, T.

    1988-01-01

    Columnar, porous, magnetron-sputtered molybdenum and tungsten films show optimum performance as alkali metal thermoelectric converter electrodes at thicknesses less than 1.0 micron when used with molybdenum or nickel current collector grids. Power densities of 0.40 W/sq cm for 0.5-micron molybdenum films at 1200 K and 0.35 W/sq cm for 0.5-micron tungsten films at 1180 K were obtained at electrode maturity after 40-90 h. Sheet resistances of magnetron sputter deposited films on sodium beta-double-prime-alumina solid electrolyte (BASE) substrates were found to increase very steeply as thickness is decreased below about 0.3-double-prime 0.4-micron. The ac impedance data for these electrodes have been interpreted in terms of contributions from the bulk BASE and the porous electrode/BASE interface. Voltage profiles of operating electrodes show that the total electrode area, of electrodes with thickness less than 2.0 microns, is not utilized efficiently unless a fairly fine (about 1 x 1 mm) current collector grid is employed.

  7. Assessment of heavy metals concentration in drinking water ...

    African Journals Online (AJOL)

    The concentration of all the metals were considerably found to be below the limit permitted by WHO's drinking water guidelines (WHO 2005). Findings suggest that continues water quality monitoring should be carried out to check the concentration levels of heavy metals in that area, to prevent them from been above the limit ...

  8. Construction of thermionic alkali-ion sources

    International Nuclear Information System (INIS)

    Ul Haq, F.

    1986-01-01

    A simple technique is described by which singly charged alkali ions of K, Na, Li, Rb and Cs are produced by heating ultra-pure chemical salts of different alkali metals on tungsten filaments without employing a temperature measuring device. The character of alkali-ion currents at different heating powers and the remarkably constant ion emission current for prolonged periods are discussed. (author)

  9. Study of electrochemical behaviour of tantalum in molten alkali metal chlorides

    International Nuclear Information System (INIS)

    Bajmakov, A.N.; Ezrokhina, A.M.; Sashinina, O.A.; Shkol'nikov, S.N.

    1985-01-01

    Equilibrium potentials of metallic tantalum in the melt TaCl 5 +KCl-NaCl are studied. Are average degree of tantalum ion oxidation, which are in equilibrium with metallic tantalum, is determined. Anodic behaviour of tantalum in equimolar mixture of potassium and sodium chlorides with Ta and F ion additions is considered. An average degree of oxidation of Ta ions, which transfer into the melt, depending on current density, is determined. It is established that tantalum is dissolved in the regime of diffusional kinetics. It is shown that tantalum corrodes in equimolar mixture of potassium and sodiUm chlorides, at that, corrosion rate increases with introdUction of Ta and F ions into solution. The corrosion is of electrochemical nature and it proceeds in the regime of diffusional kinetics

  10. X-ray and neutron diffraction studies of some liquid alkali metals and alloys

    International Nuclear Information System (INIS)

    Huijben, M.J.

    1978-01-01

    Experimental techniques and correction procedures have been searched for, which allow a reliable and accurate determination of the structure factors of simple liquid metals, particularly in the small-angle region. A study of binary alloys was carried out and showed that clustering of like atoms (a tendency to phase separation) occurs, indicating special structural aspects. The densities of Na-K, Na-Cs, K-Rb alloys were also measured. (C.F.)

  11. Electrolytic method to make alkali alcoholates using ion conducting alkali electrolyte/separator

    Science.gov (United States)

    Joshi, Ashok V [Salt Lake City, UT; Balagopal, Shekar [Sandy, UT; Pendelton, Justin [Salt Lake City, UT

    2011-12-13

    Alkali alcoholates, also called alkali alkoxides, are produced from alkali metal salt solutions and alcohol using a three-compartment electrolytic cell. The electrolytic cell includes an anolyte compartment configured with an anode, a buffer compartment, and a catholyte compartment configured with a cathode. An alkali ion conducting solid electrolyte configured to selectively transport alkali ions is positioned between the anolyte compartment and the buffer compartment. An alkali ion permeable separator is positioned between the buffer compartment and the catholyte compartment. The catholyte solution may include an alkali alcoholate and alcohol. The anolyte solution may include at least one alkali salt. The buffer compartment solution may include a soluble alkali salt and an alkali alcoholate in alcohol.

  12. Vanadium oxide based cpd. useful as a cathode active material - is used in lithium or alkali metal batteries to prolong life cycles

    DEFF Research Database (Denmark)

    1997-01-01

    A mixt. of metallic iron particles and vanadium pentoxide contg. V in its pentavalent state in a liq. is reacted to convert at least some of the pentavalent V to its tetravalent state and form a gel. The liq. phase is then sepd. from the oxide based gel to obtain a solid material(I) comprising Fe......, V and oxygen where at least some of the V is in the tetravalent state. USE-(I) is a cathode active material in electric current producing storage cells. ADVANTAGE-Use of (I) in Li or alkali metal batteries gives prolonged life cycles.Storage cells using (I) have improved capacity during charge...

  13. Lanthanide Single-Molecule Magnets Framed by Alkali Metals & Magnetic and Spectroscopic Studies of 3d Transition Metal Complexes

    DEFF Research Database (Denmark)

    Konstantatos, Andreas

    -molecule magnets (SMMs). Starting from the archetype SMM Mn12 we present the details of the mechanisms governing the relaxation of the magnetization of these systems. In Chapter 2 we present our work on the coordination chemistry of lanthanides with a new Schiff-base ligand, H3L [(E)-3-((2-hydroxyphenyl...... complexes of M3+ or M2+ metal ions (M: 3d transition metal) with the preference to either approximate octahedral or trigonal prismatic coordination geometry. A detailed magnetic characterization for most of the complexes is presented where a trinuclear Co2+ cluster stands out for its pronounced SMM...

  14. Influence of alkali metal oxides and alkaline earth metal oxides on the mitigation of stress corrosion cracking in CANDU fuel sheathing

    Energy Technology Data Exchange (ETDEWEB)

    Metzler, J.; Ferrier, G.A.; Farahani, M.; Chan, P.K.; Corcoran, E.C., E-mail: Joseph.Metzler@rmc.ca [Royal Military College of Canada, Kingston, ON (Canada)

    2015-07-01

    This work investigates strategies to mitigate stress corrosion cracking (SCC) in Zircaloy-4 sheathing materials. The CANLUB coatings currently used in CANDU reactors contain both alkali metal and alkaline earth metal impurities, which can exist as oxides (e.g., Na{sub 2}O and CaO). It is believed that when the corrosive fission product iodine reacts with these oxides, the iodine can be sequestered through the formation of an iodide (e.g.,NaI and CaI{sub 2}). The subsequent O{sub 2} release may repair cracks in the protective ZrO{sub 2} layer on the sheathing, shielding the Zircaloy-4 sheathing from further corrosive fission product attack. For this investigation, O{sub 2} gas, Na{sub 2}O, and CaO were separately introduced into an environment wherein slotted Zircaloy-4 rings endure mechanical stresses in iodine vapour at high temperatures. Controlled additions of O{sub 2} gas created a slight reduction in the corrosive attack on Zircaloy-4 sheathing, while the inclusion of Na{sub 2}O and CaO lead to greater reductions. (author)

  15. Diffusion of manganese ions in agar gel containing alkali metal chlorides

    International Nuclear Information System (INIS)

    Borhade, A.V.

    2000-01-01

    The obstruction effect for tracer-diffusion of Mn 2+ ions in the presence of different supporting electrolytes (LiCl, NaCl, KCl, CsCl) at various concentrations has been studied at 25 deg C using the zone diffusion technique. It has been observed that the obstruction effect determined in terms of α increases with concentration of the electrolyte. Further, for a given concentration it is found to decrease with increasing charge density of the cation. We also report here on the effect of temperature on obstruction and found that is constant over the temperature range studied (25-45 deg C). These observations are explained on the basis of competitive hydration between ions and agar macromolecules. (author)

  16. Measurement of heavy metals by means of a plasma-assisted method

    International Nuclear Information System (INIS)

    Hernberg, R.; Haeyrinen, V.; Oikari, R.

    1995-01-01

    The plasma-assisted measuring device for on-line measurement of alkali metal concentrations in pressurised processes, which has been developed in the Laboratory, will be further developed to provide for simultaneous measurement of heavy metal concentrations. (author)

  17. Interaction of Cu(+) with cytosine and formation of i-motif-like C-M(+)-C complexes: alkali versus coinage metals.

    Science.gov (United States)

    Gao, Juehan; Berden, Giel; Rodgers, M T; Oomens, Jos

    2016-03-14

    The Watson-Crick structure of DNA is among the most well-known molecular structures of our time. However, alternative base-pairing motifs are also known to occur, often depending on base sequence, pH, or the presence of cations. Pairing of cytosine (C) bases induced by the sharing of a single proton (C-H(+)-C) may give rise to the so-called i-motif, which occurs primarily in expanded trinucleotide repeats and the telomeric region of DNA, particularly at low pH. At physiological pH, silver cations were recently found to stabilize C dimers in a C-Ag(+)-C structure analogous to the hemiprotonated C-dimer. Here we use infrared ion spectroscopy in combination with density functional theory calculations at the B3LYP/6-311G+(2df,2p) level to show that copper in the 1+ oxidation state induces an analogous formation of C-Cu(+)-C structures. In contrast to protons and these transition metal ions, alkali metal ions induce a different dimer structure, where each ligand coordinates the alkali metal ion in a bidentate fashion in which the N3 and O2 atoms of both cytosine ligands coordinate to the metal ion, sacrificing hydrogen-bonding interactions between the ligands for improved chelation of the metal cation.

  18. Alkali metal – yttrium borohydrides: The link between coordination of small and large rare-earth

    International Nuclear Information System (INIS)

    Sadikin, Yolanda; Stare, Katarina; Schouwink, Pascal; Brix Ley, Morten; Jensen, Torben R.; Meden, Anton; Černý, Radovan

    2015-01-01

    The system Li–A–Y–BH 4 (A=K, Rb, Cs) is found to contain five new compounds and four further ones known from previous work on the homoleptic borohydrides. Crystal structures have been solved and refined from synchrotron X-ray powder diffraction, thermal stability of new compounds have been investigated and ionic conductivity measured for selected samples. Significant coordination flexibility for Y 3+ is revealed, which allows the formation of both octahedral frameworks and tetrahedral complex anions with the tetrahydroborate anion BH 4 both as a linker and terminal ligand. Bi- and trimetallic cubic double-perovskites c-A 3 Y(BH 4 ) 6 or c-A 2 LiY(BH 4 ) 6 (A=Rb, Cs) form in all the investigated systems, with the exception of the Li–K–Y system. The compounds with the stoichiometry AY(BH 4 ) 4 crystallize in all investigated systems with a great variety of structure types which find their analog amongst metal oxides. In-situ formation of a new borohydride – closo-borane is observed during decomposition of all double perovskites. - Graphical abstract: The system Li–A–Y–BH 4 (A=K, Rb, Cs) is found to contain five novel compounds and four further ones previously reported. Significant coordination flexibility of Y 3+ is revealed, which can be employed to form both octahedral frameworks and tetrahedral complex anions, very different structural topologies. Versatility is also manifested in three different simultaneously occurring coordination modes of borohydrides for one metal cation, as proposed by DFT optimization of the monoclinic KY(BH 4 ) 4 structural model observed by powder diffraction. - Highlights: • The system Li-A-Y-BH 4 (A=K, Rb, Cs) contains nine compounds in total. • Y 3+ forms octahedral frameworks and tetrahedral complex anions. • Bi- and trimetallic double-perovskites crystallize in most systems. • Various AY(BH 4 ) 4 crystallize with structure types analogous to metal oxides. • Double-perovskites decompose and form a novel

  19. Alkali metal – yttrium borohydrides: The link between coordination of small and large rare-earth

    Energy Technology Data Exchange (ETDEWEB)

    Sadikin, Yolanda [Department of Quantum Matter Physics, Laboratory of Crystallography, University of Geneva, Quai Ernest-Ansermet 24, CH-1211 Geneva (Switzerland); Stare, Katarina [Department of Quantum Matter Physics, Laboratory of Crystallography, University of Geneva, Quai Ernest-Ansermet 24, CH-1211 Geneva (Switzerland); Faculty of Chemistry and Chemical Technology, University of Ljubljana, Aškerjeva 5, SI-1000 Ljubljana (Slovenia); Schouwink, Pascal [Department of Quantum Matter Physics, Laboratory of Crystallography, University of Geneva, Quai Ernest-Ansermet 24, CH-1211 Geneva (Switzerland); Brix Ley, Morten; Jensen, Torben R. [Center for Materials Crystallography (CMC), Interdisciplinary Nanoscience Center (iNANO), and Department of Chemistry, Aarhus University, Langelandsgade 140, DK-8000 Århus C (Denmark); Meden, Anton [Faculty of Chemistry and Chemical Technology, University of Ljubljana, Aškerjeva 5, SI-1000 Ljubljana (Slovenia); Černý, Radovan, E-mail: radovan.cerny@unige.ch [Department of Quantum Matter Physics, Laboratory of Crystallography, University of Geneva, Quai Ernest-Ansermet 24, CH-1211 Geneva (Switzerland)

    2015-05-15

    The system Li–A–Y–BH{sub 4} (A=K, Rb, Cs) is found to contain five new compounds and four further ones known from previous work on the homoleptic borohydrides. Crystal structures have been solved and refined from synchrotron X-ray powder diffraction, thermal stability of new compounds have been investigated and ionic conductivity measured for selected samples. Significant coordination flexibility for Y{sup 3+} is revealed, which allows the formation of both octahedral frameworks and tetrahedral complex anions with the tetrahydroborate anion BH{sub 4} both as a linker and terminal ligand. Bi- and trimetallic cubic double-perovskites c-A{sub 3}Y(BH{sub 4}){sub 6} or c-A{sub 2}LiY(BH{sub 4}){sub 6} (A=Rb, Cs) form in all the investigated systems, with the exception of the Li–K–Y system. The compounds with the stoichiometry AY(BH{sub 4}){sub 4} crystallize in all investigated systems with a great variety of structure types which find their analog amongst metal oxides. In-situ formation of a new borohydride – closo-borane is observed during decomposition of all double perovskites. - Graphical abstract: The system Li–A–Y–BH{sub 4} (A=K, Rb, Cs) is found to contain five novel compounds and four further ones previously reported. Significant coordination flexibility of Y{sup 3+} is revealed, which can be employed to form both octahedral frameworks and tetrahedral complex anions, very different structural topologies. Versatility is also manifested in three different simultaneously occurring coordination modes of borohydrides for one metal cation, as proposed by DFT optimization of the monoclinic KY(BH{sub 4}){sub 4} structural model observed by powder diffraction. - Highlights: • The system Li-A-Y-BH{sub 4} (A=K, Rb, Cs) contains nine compounds in total. • Y{sup 3+} forms octahedral frameworks and tetrahedral complex anions. • Bi- and trimetallic double-perovskites crystallize in most systems. • Various AY(BH{sub 4}){sub 4} crystallize with

  20. An experimental study of charge exchange process in the energy range 1-30 keV during the passage of alkali metal ions and atoms through cesium and potassium vapour

    International Nuclear Information System (INIS)

    Wittchow, F.

    1979-01-01

    An experimental study is presented of the charge exchange processes in the energy range of about 1-30 keV during the passage of positive alkali ions and alkali atoms through potassium and cesium vapour. The experimental set-up designed for this experiment includes a thermionic source for positive alkali ions with an acceleration stage, a first charge exchange cell to produce fast alkali atoms, a second charge exchange cell with a surface ionisation detector to determine the alkali metal vapor target thickness and a detection system with electrostatic bending of the charged secondary species. The maximum negative ion yield has been determined for the collision systems Li + + K, Na + + K, K + + K, and Rb + + K, and for another eleven systems the charge transfer cross-sections have been measured too. (orig./GG) [de

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

    Science.gov (United States)

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

    2015-12-01

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

  2. Influence of Addition of Fluid Catalytic Cracking Residue (FCC and the SiO2 Concentration in Alkali-Activated Ceramic Sanitary-Ware (CSW Binders

    Directory of Open Access Journals (Sweden)

    Juan Cosa

    2018-03-01

    Full Text Available Production of Portland cement requires a large volume of natural raw materials and releases huge amounts of CO2 to the atmosphere. Lower environmental impact alternatives focus on alkali-activated cements. In this paper, fluid catalytic cracking residue (FCC was used to partially replace (0 wt %–50 wt % ceramic sanitaryware (CSW in alkali-activated systems. Samples were activated with NaOH and sodium silicate solutions and were cured at 65 °C for 7 days and at 20 °C for 28 and 90 days. In order to increase CSW/FCC binders’ sustainability, the influence of reducing the silica concentration (from 7.28 mol·kg−1 up to 2.91 mol·kg−1 was analyzed. The microstructure of the developed binders was investigated in pastes by X-ray diffraction, thermo tests and field emission scanning electron microscopy analyses. Compressive strength evolution was assessed in mortars. The results showed a synergetic effect of the CSW/FCC combinations so that, under the studied conditions, mechanical properties significantly improved when combining both waste materials (up to 70 MPa were achieved in the mortars containing 50 wt % FCC cured at room temperature for 90 days. Addition of FCC allowed CSW to be activated at room temperature, which significantly broadens the field of applications of alkali-activated CSW binders.

  3. Complex formation during dissolution of metal oxides in molten alkali carbonates

    DEFF Research Database (Denmark)

    Li, Qingfeng; Borup, Flemming; Petrushina, Irina

    1999-01-01

    Dissolution of metal oxides in molten carbonates relates directly to the stability of materials for electrodes and construction of molten carbonate fuel cells. In the present work the solubilities of PbO, NiO, Fe2O3,and Bi2O3 in molten Li/K carbonates have been measured at 650 degrees C under...... carbon dioxide atmosphere. It is found that the solubilities of NiO and PbO decrease while those of Fe2O3 and Bi2O3 remain approximately constant as the lithium mole fraction increases from 0.43 to 0.62 in the melt. At a fixed composition of the melt, NiO and PbO display both acidic and basic dissolution...

  4. Alloying in an Intercalation Host: Metal Titanium Niobates as Anodes for Rechargeable Alkali-Ion Batteries.

    Science.gov (United States)

    Das, Suman; Swain, Diptikanta; Araujo, Rafael B; Shi, Songxin; Ahuja, Rajeev; Row, Tayur N Guru; Bhattacharyya, Aninda J

    2018-02-02

    We discuss here a unique flexible non-carbonaceous layered host, namely, metal titanium niobates (M-Ti-niobate, M: Al 3+ , Pb 2+ , Sb 3+ , Ba 2+ , Mg 2+ ), which can synergistically store both lithium ions and sodium ions via a simultaneous intercalation and alloying mechanisms. M-Ti-niobate is formed by ion exchange of the K + ions, which are specifically located inside galleries between the layers formed by edge and corner sharing TiO 6 and NbO 6 octahedral units in the sol-gel synthesized potassium titanium niobate (KTiNbO 5 ). Drastic volume changes (approximately 300-400 %) typically associated with an alloying mechanism of storage are completely tackled chemically by the unique chemical composition and structure of the M-Ti-niobates. The free space between the adjustable Ti/Nb octahedral layers easily accommodates the volume changes. Due to the presence of an optimum amount of multivalent alloying metal ions (50-75 % of total K + ) in the M-Ti-niobate, an efficient alloying reaction takes place directly with ions and completely eliminates any form of mechanical degradation of the electroactive particles. The M-Ti-niobate can be cycled over a wide voltage range (as low as 0.01 V) and displays remarkably stable Li + and Na + ion cyclability (>2 Li + /Na + per formula unit) for widely varying current densities over few hundreds to thousands of successive cycles. The simultaneous intercalation and alloying storage mechanisms is also studied within the density functional theory (DFT) framework. DFT expectedly shows a very small variation in the volume of Al-titanium niobate following lithium alloying. Moreover, the theoretical investigations also conclusively support the occurrence of the alloying process of Li ions with the Al ions along with the intercalation process during discharge. The M-Ti-niobates studied here demonstrate a paradigm shift in chemical design of electrodes and will pave the way for the development of a multitude of improved electrodes

  5. Soil sampling and analysis plan for the 3718-F Alkali Metal Treatment and Storage Facility closure activities

    Energy Technology Data Exchange (ETDEWEB)

    Sonnichsen, J.C.

    1997-05-01

    Amendment V.13.B.b to the approved closure plan (DOE-RL 1995a) requires that a soil sampling and analysis plan be prepared and submitted to the Washington State Department of Ecology (Ecology) for review and approval. Amendment V.13.B.c requires that a diagram of the 3718-F Alkali Metal Treatment and Storage Facility unit (the treatment, storage, and disposal [TSD] unit) boundary that is to be closed, including the maximum extent of operation, be prepared and submitted as part is of the soil sampling and analysis plan. This document describes the sampling and analysis that is to be performed in response to these requirements and amends the closure plan. Specifically, this document supersedes Section 6.2, lines 43--46, and Section 7.3.6 of the closure plan. Results from the analysis will be compared to cleanup levels identified in the closure plan. These cleanup levels will be established using residential exposure assumptions in accordance with the Model Toxics Control Act (MTCA) Cleanup Regulation (Washington Administrative Code [WAC] 173-340) as required in Amendment V.13.B.I. Results of all sampling, including the raw analytical data, a summary of analytical results, a data validation package, and a narrative summary with conclusions will be provided to Ecology as specified in Amendment V.13.B.e. The results and process used to collect and analyze the soil samples will be certified by a licensed professional engineer. These results and a certificate of closure for the balance of the TSD unit, as outlined in Chapter 7.0 of the approved closure plan (storage shed, concrete pad, burn building, scrubber, and reaction tanks), will provide the basis for a closure determination.

  6. Soil sampling and analysis plan for the 3718-F Alkali Metal Treatment and Storage Facility closure activities

    International Nuclear Information System (INIS)

    Sonnichsen, J.C.

    1997-01-01

    Amendment V.13.B.b to the approved closure plan (DOE-RL 1995a) requires that a soil sampling and analysis plan be prepared and submitted to the Washington State Department of Ecology (Ecology) for review and approval. Amendment V.13.B.c requires that a diagram of the 3718-F Alkali Metal Treatment and Storage Facility unit (the treatment, storage, and disposal [TSD] unit) boundary that is to be closed, including the maximum extent of operation, be prepared and submitted as part is of the soil sampling and analysis plan. This document describes the sampling and analysis that is to be performed in response to these requirements and amends the closure plan. Specifically, this document supersedes Section 6.2, lines 43--46, and Section 7.3.6 of the closure plan. Results from the analysis will be compared to cleanup levels identified in the closure plan. These cleanup levels will be established using residential exposure assumptions in accordance with the Model Toxics Control Act (MTCA) Cleanup Regulation (Washington Administrative Code [WAC] 173-340) as required in Amendment V.13.B.I. Results of all sampling, including the raw analytical data, a summary of analytical results, a data validation package, and a narrative summary with conclusions will be provided to Ecology as specified in Amendment V.13.B.e. The results and process used to collect and analyze the soil samples will be certified by a licensed professional engineer. These results and a certificate of closure for the balance of the TSD unit, as outlined in Chapter 7.0 of the approved closure plan (storage shed, concrete pad, burn building, scrubber, and reaction tanks), will provide the basis for a closure determination

  7. Tuning Surface Energy Landscapes in Metallic Quantum Films using Alkali Adsorbates

    Science.gov (United States)

    Khajetoorians, Alexander; Qin, Shengyong; Zhu, Wenguang; Eisele, Holger; Zhang, Zhenyu; Shih, Chih-Kang

    2008-03-01

    Quantum confinement shows a strong interplay with growth and kinetics in thin metal systems where the Fermi wavelength has a special relationship to the surface normal lattice constant. In the case of Pb/Si(111) systems, this relationship reveals an interesting thickness-dependent bilayer oscillation in the density of states and surface energy up to a phase. In this paper, we report on a novel effect: tuning of the energy landscape of a flat-top quantum Pb mesa using Cs adsorbates. Using STM/STS, we show that depositing Cs adsorbates on a thin Pb mesa promotes quantum stable Pb nanoislands on preferentially unstable thicknesses. Thickness-dependent nanoisland densities show a strong bilayer oscillation correlating with quantum stability. By modifying the Cs coverage on the mesa surface, we can tune the lateral size distribution of the nanoislands and the overall amplitude of the island density oscillation. Nanoisland formation is linked to a step decoration of Cs adatoms along the step edge of the nanoisland.

  8. Effect of alkali content on AC conductivity of borate glasses containing two transition metals

    International Nuclear Information System (INIS)

    Kashif, I.; Rahman, Samy A.; Soliman, A.A.; Ibrahim, E.M.; Abdel-Khalek, E.K.; Mostafa, A.G.; Sanad, A.M.

    2009-01-01

    Sodium borate glasses containing iron and molybdenum ions with the total concentration of transition ions constant and gradual substitution of sodium oxide (network modifier) by borate oxide (network former) was prepared. Densities, molar volume, DC and AC conductivities are measured. The trends of these properties are attributed to changes in the glass network structure. Their DC and AC conductivity increased with increasing NaO concentration. The increase of AC conductivity of sodium borate glasses is attributed to the chemical composition and the hopping mechanism of conduction. Measurements of the dielectric constant (ε) and dielectric loss (tan δ) as a function of frequency (50 Hz-100 kHz) and temperature (RT-600 K) indicate that the increase in dielectric constant and loss (ε and tan δ) values with increasing sodium ion content could be attributed to the assumption that Fe and Mo ions tend to assume network-forming position in the glass compositions studied. The variation of the value of frequency exponent s for all glass samples as the function of temperature at a definite frequency indicates that the value of s decreases with increasing the temperature which agrees with the correlated barrier-hopping (CBH) model.

  9. Selected mineral and heavy metal concentrations in blood and ...

    African Journals Online (AJOL)

    Unknown

    Pb in the dead vultures were generally above values characteristic of heavy metal poisoning. ... of the food chain), may accumulate and concentrate heavy metals in their ..... µg/g wet weight) (Honda et al., 1990), which validates the order of ...

  10. Heavy metal concentrations in, and human health risk assessment ...

    African Journals Online (AJOL)

    Water, sediment and fish samples were collected for six months and heavy metals were determined using an Atomic Absorption Spectrometer. Fe ranked highest in water and sediment, with concentrations of 2.74 mg l−1 and 61.60 mg kg−1, respectively. Metals followed the magnitude of Fe > Mn > Ni > V > Pb in the water ...

  11. Heavy metals concentration in various tissues of two freshwater ...

    African Journals Online (AJOL)

    Heavy metals like cadmium, zinc, copper, chromium, lead and mercury were measured in the various tissues of Labeo rohita and Channa striatus and in the water samples collected from ... The values of heavy metals concentration in the present study are within the maximum permissible levels for drinking water and fish.

  12. Metal concentrations in intertidal water and surface sediment along ...

    African Journals Online (AJOL)

    2017-01-01

    Jan 1, 2017 ... The higher metal concentrations reported in sediment suggested that both ... the condition of the water column and health of benthic marine ... and fish processing facilities are situated on the western side of ... ated approximately 20 km north of Cape Town. .... caused such levels of metal input to the system.

  13. assessment of heavy metals concentration in drinking water ...

    African Journals Online (AJOL)

    userpc

    guidelines (WHO 2005). Findings suggest that continues water quality monitoring should be carried out to check the concentration levels of heavy metals in that area, to prevent them from been above the limit of WHO. Keywords: Atomic Absorption Spectrophotometers, Heavy Metals, Water, Kauru Local. Government Area.

  14. Concentrations of metals in river sediment and wetland vegetations ...

    African Journals Online (AJOL)

    Levels of metals were determined in river sediment, rice and sugarcane juice from Lake Victoria basin where small-scale gold processing activities are carried out to assess levels of contamination. Concentrations of metals in river sediments were generally high in areas that were closest to gold ore processing sites.

  15. Concentration of heavy metals from traffic emissions on plant ...

    African Journals Online (AJOL)

    In recent years, emission and combustion of fossils and fuels have been identified as primary sources of atmospheric metallic burden. Detailed information about this is not readily available in Nigeria. This study was therefore carried out to determine the concentration of heavy metals (e.g. lead, mercury and cadmium} ...

  16. Determination of some heavy metals concentration in the tissues of ...

    African Journals Online (AJOL)

    Jen

    Department of Pure and Industrial Chemistry, Bayero University, Kano, P.M.B. 3011, Kano, Nigeria ... contamination (e.g. lead pipes), high ambient air concentrations near emission ... Thus heavy metals acquired through the food chain as a.

  17. Metal concentration in some seaweeds of Goa (India)

    Digital Repository Service at National Institute of Oceanography (India)

    Agadi, V.V.; Bhosle, N.B.; Untawale, A.G.

    Seventeen species of marine algae collected from five localities of Goa, were analysed for Co, Cu, Fe, Mn, Ni, Pb and Zn, using atomic absorption spectrophotometer. All the seven metals showed considerable variations in their concentration. The role...

  18. Heavy metal concentrations in forest litter - indicators of pollutant depositions

    International Nuclear Information System (INIS)

    Angehrn-Bettinazzi, C.; Hertz, J.

    1990-01-01

    By means of a comparison of the heavy metal concentrations in organic litter from different sites it was examined to what extent the heavy metal concentrations correlate with the atmospheric pollution situation. It follows from the variance analyses: The atmospheric pollution situation is the dominating factor for the heavy metal concentration in L litter. The elements Cd and Zn show a pH-sensitivity at the same time. The lead concentration in the L n and L v horizons reflects the atmospheric pollution situation of the corresponding site. Specific pollution patterns, e.g. in the case of hillside sites, are neither detected through the gravitational deposition (open land) nor through the airborne dust concentration; these can be recognized by the monitor 'litter'. Only horizons in the intercrown area with identical tree vegetation, which are characterized in detail, must be used for monitoring. (orig.) [de

  19. Activation analysis for measurements of silicon, phosphorus, alkali metals and other elements in high-purity metals

    International Nuclear Information System (INIS)

    Schmid, W.

    1988-01-01

    In the present thesis, methods of activation analysis were developed for the determination of the elements silicon, phosphorus, potassium, sodium, i.a. in the high-purity metals vanadium, niobium, tantalum, tungsten, molybdenum and iron. The determination of silicon is based on the activation of samples with reactor neutrons, on a subsequent radiochemical separation of the tracer radionuclide 31 Si resulting from the reaction 30 Si(n,γ), and on the measurement of β activity with the help of a liquid scintillation measuring desk. Since the tracer radionuclide 31 Si almost exclusively emits β rays which are not sufficiently nuclide-specific, silicon was selectively separated from the other sample elements by being distilled as silicon tetrafluoride. The processing of the residue following the separation of silicon permits a complementary gamma-spectroscopic determination of a whole lot of additional elements. Thus, the separation of the nuclide 182 Ta with the anion exchanger Dowex 1X8 from HF/H 2 SO 4 medium permits the determination of 22 elements in vanadium, niobium and tantalum. Phosphorus content is determined by activating the samples with rapid neutrons (cyclotrons) via the reaction 31 P(n,p) 31 Si. (orig./MM) [de

  20. Ligand design for alkali-metal-templated self-assembly of unique high-nuclearity CuII aggregates with diverse coordination cage units: crystal structures and properties.

    Science.gov (United States)

    Du, Miao; Bu, Xian-He; Guo, Ya-Mei; Ribas, Joan

    2004-03-19

    The construction of two unique, high-nuclearity Cu(II) supramolecular aggregates with tetrahedral or octahedral cage units, [(mu(3)-Cl)[Li subset Cu(4)(mu-L(1))(3)](3)](ClO(4))(8)(H(2)O)(4.5) (1) and [[Na(2) subset Cu(12)(mu-L(2))(8)(mu-Cl)(4)](ClO(4))(8)(H(2)O)(10)(H(3)O(+))(2)](infinity) (2) by alkali-metal-templated (Li(+) or Na(+)) self-assembly, was achieved by the use of two newly designed carboxylic-functionalized diazamesocyclic ligands, N,N'-bis(3-propionyloxy)-1,4-diazacycloheptane (H(2)L(1)) or 1,5-diazacyclooctane-N,N'-diacetate acid (H(2)L(2)). Complex 1 crystallizes in the trigonal R3c space group (a = b = 20.866(3), c = 126.26(4) A and Z = 12), and 2 in the triclinic P1 space group (a = 13.632(4), b = 14.754(4), c = 19.517(6) A, alpha = 99.836(6), beta = 95.793(5), gamma = 116.124(5) degrees and Z = 1). By subtle variation of the ligand structures and the alkali-metal templates, different polymeric motifs were obtained: a dodecanuclear architecture 1 consisting of three Cu(4) tetrahedral cage units with a Li(+) template, and a supramolecular chain 2 consisting of two crystallographically nonequivalent octahedral Cu(6) polyhedra with a Na(+) template. The effects of ligand functionality and alkali metal template ions on the self-assembly processes of both coordination supramolecular aggregates, and their magnetic behaviors are discussed in detail.

  1. Analyzing relationships between surface perturbations and local chemical reactivity of metal sites: Alkali promotion of O2 dissociation on Ag(111)

    Science.gov (United States)

    Xin, Hongliang; Linic, Suljo

    2016-06-01

    Many commercial heterogeneous catalysts are complex structures that contain metal active sites promoted by multiple additives. Developing fundamental understanding about the impact of these perturbations on the local surface reactivity is crucial for catalyst development and optimization. In this contribution, we develop a general framework for identifying underlying mechanisms that control the changes in the surface reactivity of a metal site (more specifically the adsorbate-surface interactions) upon a perturbation in the local environment. This framework allows us to interpret fairly complex interactions on metal surfaces in terms of specific, physically transparent contributions that can be evaluated independently of each other. We use Cs-promoted dissociation of O2 as an example to illustrate our approach. We concluded that the Cs adsorbate affects the outcome of the chemical reaction through a strong alkali-induced electric field interacting with the static dipole moment of the O2/Ag(111) system.

  2. Dual Carbon-Confined SnO2 Hollow Nanospheres Enabling High Performance for the Reversible Storage of Alkali Metal Ions.

    Science.gov (United States)

    Wu, Qiong; Shao, Qi; Li, Qiang; Duan, Qian; Li, Yanhui; Wang, Heng-Guo

    2018-04-25

    To explore a universal electrode material for the high-performance electrochemical storage of Li + , Na + , and K + ions remains a big challenge. Herein, we propose a "trinity" strategy to coat the SnO 2 hollow nanospheres using the dual carbon layer from the polydopamine-derived nitrogen-doped carbon and graphene. Thereinto, hollow structures with sufficient void space could buffer the volume expansion, whereas dual carbon-confined strategy could not only elastically prevent the aggregation of nanoparticle and ensure the structural integrity but also immensely improve the conductivity and endow high rate properties. Benefiting from the effective strategy and specific structure, the dual carbon-confined SnO 2 hollow nanosphere (denoted as G@C@SnO 2 ) can serve as the universal host material for alkali metal ions and enable their rapid and reversible storage. As expected, the resulting G@C@SnO 2 as a universal anode material shows reversible alkali-metal-ion storage with high performance. We believe this that strategy could pave the way for constructing other metal-oxide-based dual carbon-confined high-performance materials for the future energy storage applications.

  3. The Production of Polycyclic Aromatic Hydrocarbon Anions in Inert Gas Matrices Doped with Alkali Metals. Electronic Absorption Spectra of the Pentacene Anion (C22H14(-))

    Science.gov (United States)

    Halasinski, Thomas M.; Hudgins, Douglas M.; Salama, Farid; Allamandola, Louis J.; Mead, Susan (Technical Monitor)

    1999-01-01

    The absorption spectra of pentacene (C22H14) and its radical cation (C22H14(+)) and anion (C22H14(-)) isolated in inert-gas matrices of Ne, Ar, and Kr are reported from the ultraviolet to the near-infrared. The associated vibronic band systems and their spectroscopic assignments are discussed together with the physical and chemical conditions governing ion (and counterion) production in the solid matrix. In particular, the formation of isolated pentacene anions is found to be optimized in matrices doped with alkali metal (Na and K).

  4. Affinity capillary electrophoresis and density functional theory employed for the characterization of hexaarylbenzene-based receptor complexation with alkali metal ions

    Czech Academy of Sciences Publication Activity Database

    Ehala, Sille; Toman, Petr; Rathore, R.; Makrlík, E.; Kašička, Václav

    2011-01-01

    Roč. 32, č. 9 (2011), s. 981-987 ISSN 0173-0835 R&D Projects: GA ČR(CZ) GA203/08/1428; GA ČR(CZ) GA203/09/0675; GA ČR(CZ) GAP205/10/2280; GA AV ČR 1ET400500402 Institutional research plan: CEZ:AV0Z40550506; CEZ:AV0Z40500505 Keywords : affinity capillary electrophoresis * alkali metal ions * binding constant Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 3.303, year: 2011

  5. Determination of some heavy metals concentration in the tissues of ...

    African Journals Online (AJOL)

    Lead (Pb), Cobalt (Co), and Copper (Cu) concentrations were determined in bone, muscle and gill of two fish species (tilapia fish and cat-fish) collected from Tiga dam Kano, Nigeria during October, 2010. The mean concentrations of the heavy metals varied depending on the type of the tissue and fish species. Generally ...

  6. Storage mediums affect metal concentration in woodlice (Isopoda)

    International Nuclear Information System (INIS)

    Hendrickx, Frederik; Maelfait, J.-P.; Mayer, Ann de; Tack, F.M.G.; Verloo, M.G.

    2003-01-01

    Pitfall traps containing formaldehyde influence dry weights and consequently metal concentrations in woodlice. - Terrestrial invertebrates are becoming widely established as tools to assess heavy metal pollution at contaminated sites. A practical and time saving method to sample terrestrial invertebrates consist of pitfall traps, often filled with a 4% formaldehyde solution and some detergent. The reliability of metal concentrations based on organisms captured and stored in this solution might however be questioned and we therefore tested the effect of formaldehyde on Zn, Cu, Cd and Pb concentration experimentally in three isopod species. Our results showed that in many cases, significant decreases in Cu concentrations compared to animals stored in a freezer were observed that could be as high as 40%, while Zn, Cd and Pb concentrations increased. A regression analysis of individual dry weight on individual size revealed that formaldehyde decreases the dry weight substantially and in that way causes increased measurements of Zn, Cd and Pb concentrations. We conclude that pitfall traps with formaldehyde should better not be used to collect animals in which concentrations of heavy metals or other toxic substances will be determined

  7. A method of measuring the conductivity of air-sensitive substances in dependence on pressure (alkali metal anthracene addition compounds)

    International Nuclear Information System (INIS)

    Konrad Luehder, Konrad

    1996-01-01

    The conductivity of alkali anthracene addition compounds of the general formula M x (atc) with x=2.0 and = 1.5 was measured in dependence on pressure up to 400 MPa, shoving values in the range of 10 -8 S/cm. A suitable apparatus is described. (authors)

  8. Experimental solubility measurements of lanthanides in liquid alkalis

    Science.gov (United States)

    Isler, Jeremy; Zhang, Jinsuo; Mariani, Robert; Unal, Cetin

    2017-11-01

    In metallic nuclear fuel, lanthanide fission products play a crucial role in the fuel burnup-limiting phenomena of fuel cladding-chemical interaction (FCCI). The lanthanides have been hypothesized to transport by a 'liquid-like' mechanism out of the metallic fuel to the fuel peripheral to cause FCCI. By liquid fission product cesium and liquid bond sodium, the lanthanides are transported to the peripheral of the fuel through the porosity of the fuel. This work investigates the interaction between the lanthanides and the alkali metals by experimentally measuring the solubility of lanthanides within liquid sodium, and neodymium in liquid cesium and mixtures of cesium and sodium. The temperature dependence of the solubility is experimentally determined within an inert environment. In addition, the dependence of the solubility on the alkali metal concentration in liquid mixtures of cesium and sodium was examined. In quantifying the solubility, the fundamental understanding of this transport mechanism can be better determined.

  9. Limit State of Trapezoidal Metal Sheets Exposed to Concentrated Load

    OpenAIRE

    Kateřina Jurdová

    2013-01-01

    In most industrial compounds are used trapezoidal metal sheets like a roof decks. These trapezoidal metal sheets are exposed by concentrated loads, usually by service loads arise from installation of air distribution, sanitary distribution, sprinkler system or wiring installation. In objects of public facilities (like shopping centre, tennis hall, etc.) they can be used for hanging advertising posters etc, too. These systems work as “building kit”. These anchoring systems are represented by c...

  10. Heavy metal concentration of settled surface dust in residential building

    International Nuclear Information System (INIS)

    Nor Aimi abdul Wahab; Fairus Muhamad Darus; Norain Isa; Siti Mariam Sumari; Nur Fatihah Muhamad Hanafi

    2012-01-01

    The concentrations of heavy metals (Cu, Ni, Pb and Zn) in settled surface dust were collected from nine residential buildings in different areas in Seberang Prai Tengah District, Pulau Pinang. The samples of settled surface dust were collected in 1 m 2 area by using a polyethylene brush and placed in the dust pan by sweeping the living room floor most accessible to the occupants. Heavy metals concentrations were determined by using inductively coupled plasma optical emission spectrometer (ICP-OES) after digestion with nitric acid and sulphuric acid. The results show that the range of heavy metals observed in residential buildings at Seberang Prai Tengah were in the range of 2.20-14.00 mg/ kg, 1.50-32.70 mg/ kg, 1.50-76.80 mg/ kg and 14.60-54.40 mg/ kg for Cu, Ni, Pb and Zn respectively. The heavy metal concentration in the investigated areas followed the order: Pb > Zn > Ni > Cu. Statistical analysis indicates significant correlation between all the possible pairs of heavy metal. The results suggest a likely common source for the heavy metal contamination, which could be traced most probably to vehicular emissions, street dust and other related activities. (author)

  11. SnO2 promoted by alkali metal oxides for soot combustion: The effects of surface oxygen mobility and abundance on the activity

    Science.gov (United States)

    Rao, Cheng; Shen, Jiating; Wang, Fumin; Peng, Honggen; Xu, Xianglan; Zhan, Hangping; Fang, Xiuzhong; Liu, Jianjun; Liu, Wenming; Wang, Xiang

    2018-03-01

    In this study, SnO2-based catalysts promoted by different alkali metal oxides with a Sn/M (M = Li, Na, K, Cs) molar ratio of 9/1 have been prepared for soot combustion. In comparison with the un-modified SnO2 support, the activity of the modified catalysts has been evidently enhanced, following the sequence of CsSn1-9 > KSn1-9 > NaSn1-9 > LiSn1-9 > SnO2. As testified by Raman, H2-TPR, soot-TPR-MS, XPS and O2-TPD results, the incorporation of various alkali metal oxides can induce the formation of more abundant and mobile oxygen species on the surface of the catalysts. Moreover, quantified results have proved that the amount of the surface active oxygen species is nearly proportional to the activity of the catalysts. CsSn1-9, the catalyst promoted by cesium oxide, owns the largest amount of surface mobile oxygen species, thus having the highest activity among all the studied catalysts. It is concluded that the amount of surface active and mobile oxygen species is the major factor determining the activity of the catalysts for soot combustion.

  12. Baseline metal concentrations in Paramoera walkeri from East Antarctica

    International Nuclear Information System (INIS)

    Palmer, Anne S. . E-mail Anne.Palmer@utas.edu.au; Snape, Ian; Stark, Jonathan S.; Johnstone, Glenn J.; Townsend, Ashley T.

    2006-01-01

    Remediation of the Thala Valley waste disposal site near Casey Station, East Antarctica was conducted in the austral summer of 2003/2004. Biomonitoring of the adjacent marine environment was undertaken using the gammaridean amphipod Paramoera walkeri as a sentinel species [Stark, J.S., Johnstone, G.J., Palmer, A.S., Snape, I., Larner, B.L., Riddle, M.J., in press, doi:10.1016/j.marpolbul.2006.05.020. Monitoring the remediation of a near shore waste disposal site in Antarctica using the amphipod Paramoera walkeri and diffusive gradients in thin films (DGTs). Marine Pollution Bulletin and references therein]. Determination of uptake of metals and hypothesis testing for differences that could be attributed to contamination required the establishment of baseline metal concentrations in P. walkeri. Baseline metal concentrations from two reference locations in the Windmill Islands are presented here. P. walkeri was a found to be a sensitive bioaccumulating organism that recorded spatial and temporal variability at the reference sites. Measurement of metals in P. walkeri required the development of a simple digestion procedure that used concentrated nitric acid. For the first time, rare earth metals were determined with additional clean procedures required to measure ultra low concentrations using magnetic sector ICP-MS. Certified and in-house reference materials were employed to ensure method reliability

  13. Recovery of palladium, cesium, and selenium from heavy metal alkali borosilicate glass by combination of heat treatment and leaching processes

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Zhanglian; Okada, Takashi, E-mail: t-okada@u-fukui.ac.jp; Nishimura, Fumihiro; Yonezawa, Susumu

    2017-06-05

    Highlights: • A separation technique of both noble and less noble metal from glass is studied. • Via reductive heat treatment, 80% of palladium is extracted in liquid bismuth. • Sodium–potassium-rich materials with cesium and selenium are phase separated. • From the materials, over 80% of cesium and selenium are extracted in water. - Abstract: Reductive heat-treatment and leaching process were applied to a simulated lead or bismuth soda-potash-borosilicate glass with palladium, cesium, and selenium to separate these elements. In the reductive heat treatment, palladium is extracted in liquid heavy metal phase generated by the reduction of the heavy metal oxides, whereas cesium and selenium are concentrated in phase separated Na–K-rich materials on the glass surface. From the materials, cesium and selenium can be extracted in water, and the selenium extraction was higher in the treatment of the bismuth containing glass. The chemical forms of palladium in the glass affected the extraction efficiencies of cesium and selenium. Among the examined conditions, in the bismuth glass treatment, the cesium and selenium extraction efficiencies in water were over 80%, and that of palladium in liquid bismuth was over 80%.

  14. Polycyclic Aromatic Hydrocarbon and Metal Concentrations in Imported Canned Maize

    OpenAIRE

    Embbey K Ossai; Chukwujindu Maxwell Iwegbue; Elizabeth E. Ajogungbe; Godswill O Tesi

    2014-01-01

    Concentrations and profile of polycyclic aromatic hydrocarbons(PAHs) and metals (Cd, Pb, Ni, Cr, Fe and Mn) were determined in selected brands of canned maize in the Nigeria market with a view to providing information on the hazards associated with the consumption of these products. The measurement of the concentrations of PAHs was carried out by using a gas chromatography equipped with flame ionization detector (GC-FID) after extraction by ultra-sonication with acetone/dichloromethane and cl...

  15. Normal concentrations of heavy metals in autistic spectrum disorders.

    Science.gov (United States)

    Albizzati, A; Morè, L; Di Candia, D; Saccani, M; Lenti, C

    2012-02-01

    Autism is a neurological-psychiatric disease. In the last 20 years we witnessed a strong increase of autism diagnoses. To explain this increase, some scientists put forward the hypothesis that heavy metal intoxication may be one of the causes of autism. The origin of such an intoxication was hypothesised to be vaccines containing thimerosal as antimicrobic preservative. This preservative is mainly made up of mercury. The aim of our research was to investigate the correlation between autism and high biological concentrations of heavy metals. Seventeen autistic patients, between 6 and 16 years old (average: 11.52 DS: 3.20) (15 males and 2 females), were investigated, as well as 20 non autistic subjects from neuropsychiatric service between 6 and 16 years (average: 10.41 DS: 3.20) (15 males and 2 females). In both groups blood, urine and hair samples were analysed trough means of a semiquantitative analysis of heavy metal dosing. The metals analysed were Lead, mercury, cadmium and aluminium, since their build-up may give both neurological and psychiatric symptoms. The comparison of the mean values of the concentrations between the groups, performed with ANOVA test, has shown no statistically relevant differences. There wasn't correlation between autism and heavy metal concentration.

  16. Prediction of toxic metals concentration using artificial intelligence techniques

    Science.gov (United States)

    Gholami, R.; Kamkar-Rouhani, A.; Doulati Ardejani, F.; Maleki, Sh.

    2011-12-01

    Groundwater and soil pollution are noted to be the worst environmental problem related to the mining industry because of the pyrite oxidation, and hence acid mine drainage generation, release and transport of the toxic metals. The aim of this paper is to predict the concentration of Ni and Fe using a robust algorithm named support vector machine (SVM). Comparison of the obtained results of SVM with those of the back-propagation neural network (BPNN) indicates that the SVM can be regarded as a proper algorithm for the prediction of toxic metals concentration due to its relative high correlation coefficient and the associated running time. As a matter of fact, the SVM method has provided a better prediction of the toxic metals Fe and Ni and resulted the running time faster compared with that of the BPNN.

  17. Trace metal concentrations in tropical mangrove sediments, NE Brazil.

    Science.gov (United States)

    Miola, Brígida; Morais, Jáder Onofre de; Pinheiro, Lidriana de Souza

    2016-01-15

    Sediment cores were taken from the mangroves of the Coreaú River estuary off the northeast coast of Brazil. They were analyzed for grain size, CaCO3, organic matter, and trace metal (Cd, Pb, Zn, Cu, Al, and Fe) contents. Mud texture was the predominant texture. Levels of trace metals in surface sediments indicated strong influence of anthropogenic processes, and diagenetic processes controlled the trace metal enrichment of core sediments of this estuary. The positive relationships between trace metals and Al and Fe indicate that Cu, Zn, Pb, and Cd concentrations are associated mainly with Al and Fe oxy-hydroxides and have natural sources. Copyright © 2015 Elsevier Ltd. All rights reserved.

  18. Concentration of Trace Metals in Boreholes in the Ankobra Basin ...

    African Journals Online (AJOL)

    Fiifi Baidoo

    Most of the boreholes with high trace metal concentrations were located in and around the Bawdie-Bogoso-Prestea area. Introduction. Ankobra basin is one of the main mining areas in Ghana. The major minerals mined in this area include gold, manganese, bauxite and diamond. Gold mining in this basin dates about 500 ...

  19. Seasonal variations in heavy metal concentrations in soil and some ...

    African Journals Online (AJOL)

    In this study, the seasonal variations in concentrations of the heavy metals - As, Cd, Co, Cr, Cu, Fe, Mn, Ni, Pb and Zn - in soil and crops from a farm near the refuse dump site of Obafemi Awolowo University, Ile-Ife, Nigeria were investigated during the two major seasons of Nigeria. This was done to assess the pollution ...

  20. Selected mineral and heavy metal concentrations in blood and ...

    African Journals Online (AJOL)

    Concentrations of eight essential elements (Ca, Co, Cr, Cu, Fe, Mn, Ni and Zn) and three toxic metals (Al, Pb and Sr) were measured in various tissue samples from African whitebacked (Pseudogyps africanus), Cape griffon (Gyps coprotheres) and Lappetfaced (Torgos tracheliotos) vultures in different regions of South ...

  1. Metal concentrations in urban riparian sediments along an urbanization gradient

    Science.gov (United States)

    Daniel J. Bain; Ian D. Yesilonis; Richard V. Pouyat

    2012-01-01

    Urbanization impacts fluvial systems via a combination of changes in sediment chemistry and basin hydrology. While chemical changes in urban soils have been well characterized, similar surveys of riparian sediments in urbanized areas are rare. Metal concentrations were measured in sediments collected from riparian areas across the urbanization gradient in Baltimore, MD...

  2. Metal concentration at surface water using multivariate analysis and ...

    African Journals Online (AJOL)

    Metal concentration at surface water using multivariate analysis and human health risk assessment. F Azaman, H Juahir, K Yunus, A Azid, S.I. Khalit, A.D. Mustafa, M.A. Amran, C.N.C. Hasnam, M.Z.A.Z. Abidin, M.A.M. Yusri ...

  3. Soil Heavy Metal Concentration Patterns at Two Speed Zones along ...

    African Journals Online (AJOL)

    Soil Heavy Metal Concentration Patterns at Two Speed Zones along the Gaborone- Tlokweng Border Post Highway, Southeast Botswana. ... Since 1988 Botswana has been experiencing an unprecedented increase in vehicular traffic which is suspected to be having contamination effects on soils along heavily used roads ...

  4. Assessment of heavy metals concentration in water, soil sediment ...

    African Journals Online (AJOL)

    22.81 ppb) and rivers to Lake Nakuru (1129±107 ppb) had the highest mean ± SD lead concentration. Arsenic, cadmium, chromium and lead were also observed in bird tissues. Metals in the Lesser Flamingo tissues were below the toxicological ...

  5. concentration levels of major and trace metals in onion

    African Journals Online (AJOL)

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    like stews, soups, tomato sauces, cooked vegetables and meat by slicing, chopping, ... including metal concentrations in soils, soil pH, cation exchange capacity, ... determination was done by flame atomic absorption spectrophotometer (FAAS) (Buck ...... Margen, S. Onions, The Wellness Encyclopedia of Food and Nutrition, ...

  6. Handheld colorimeter for determination of heavy metal concentrations

    Science.gov (United States)

    López Ruiz, N.; Ariza, M.; Martínez Olmos, A.; Vukovic, J.; Palma, A. J.; Capitan-Vallvey, L. F.

    2011-08-01

    A portable instrument that measures heavy metal concentration from a colorimetric sensor array is presented. The use of eight sensing membranes, placed on a plastic support, allows to obtain the hue component of the HSV colour space of each one in order to determinate the concentration of metals present in a solution. The developed microcontroller-based system captures, in an ambient light environment, an image of the sensor array using an integrated micro-camera and shows the picture in a touch micro-LCD screen which acts as user interface. After image-processing of the regions of interest selected by the user, colour and concentration information are displayed on the screen.

  7. Handheld colorimeter for determination of heavy metal concentrations

    International Nuclear Information System (INIS)

    Lopez Ruiz, N; Martinez Olmos, A; Palma, A J; Ariza, M; Capitan-Vallvey, L F; Vukovic, J

    2011-01-01

    A portable instrument that measures heavy metal concentration from a colorimetric sensor array is presented. The use of eight sensing membranes, placed on a plastic support, allows to obtain the hue component of the HSV colour space of each one in order to determinate the concentration of metals present in a solution. The developed microcontroller-based system captures, in an ambient light environment, an image of the sensor array using an integrated micro-camera and shows the picture in a touch micro-LCD screen which acts as user interface. After image-processing of the regions of interest selected by the user, colour and concentration information are displayed on the screen.

  8. Handheld colorimeter for determination of heavy metal concentrations

    Energy Technology Data Exchange (ETDEWEB)

    Lopez Ruiz, N; Martinez Olmos, A; Palma, A J [ECSens ETSIIT, Departamento de Electronica, Universidad de Granada. C/ Periodista Daniel Saucedo s/n 18071 Granada (Spain); Ariza, M; Capitan-Vallvey, L F [Department of Analytical Chemistry. Faculty of Sciences. University of Granada, E-18071 Granada (Spain); Vukovic, J, E-mail: nurilr@ugr.es [Department of Analytics and Control of Medicines, Faculty of Pharmacy and Biochemistry, University of Zagreb, A. Kovacica 1,HR-10000 Zagreb (Croatia)

    2011-08-17

    A portable instrument that measures heavy metal concentration from a colorimetric sensor array is presented. The use of eight sensing membranes, placed on a plastic support, allows to obtain the hue component of the HSV colour space of each one in order to determinate the concentration of metals present in a solution. The developed microcontroller-based system captures, in an ambient light environment, an image of the sensor array using an integrated micro-camera and shows the picture in a touch micro-LCD screen which acts as user interface. After image-processing of the regions of interest selected by the user, colour and concentration information are displayed on the screen.

  9. Heavy Metal Concentration in Black Tea in Iran

    Directory of Open Access Journals (Sweden)

    Nafiseh Yousefi

    2017-03-01

    Full Text Available Background & Aims of the Study: Tea is one of the most important beverages that consumes in several parts of the world including Iran. Tea plant can be contaminated during manufacturing processes and growth period by pollutants such as heavy metals. In this study, the concentration of some heavy metals in different brands of both Iranian and imported black tea to Iran was investigated to survey the human exposure to such pollutants. Materials & Methods: The study was carried out on different brands of black tea that most widely consume in Iran. The samples were collected from available supermarkets in Tehran city and concentrations of Mn, Cd and Cu were determined in black tea, using ICP-OES. Finally obtained results, by one way ANOVA analysis, compared to maximum contaminant concentration which is determined by WHO. Results: Results showed that concentrations of measured heavy metals in sampled black tea were different according to the brand of tea. The mean of Mn, Cu and Cd elements in all tea samples were 664.78, 26.15 and 0.194 µg/g, respectively. Generally, Cu content in studied samples was not significantly above WHO but Cd content, in some cases, was significantly higher than WHO. The guideline value is not given by WHO for Mn content of tea. Conclusions: According to the obtained results, Cd content is exceeding than WHO standards, therefore, control of Cd, as a toxic element that can accumulate in living systems, is necessary.

  10. Quantum-chemistry based calibration of the alkali metal cation series (Li(+)-Cs(+)) for large-scale polarizable molecular mechanics/dynamics simulations.

    Science.gov (United States)

    Dudev, Todor; Devereux, Mike; Meuwly, Markus; Lim, Carmay; Piquemal, Jean-Philip; Gresh, Nohad

    2015-02-15

    The alkali metal cations in the series Li(+)-Cs(+) act as major partners in a diversity of biological processes and in bioinorganic chemistry. In this article, we present the results of their calibration in the context of the SIBFA polarizable molecular mechanics/dynamics procedure. It relies on quantum-chemistry (QC) energy-decomposition analyses of their monoligated complexes with representative O-, N-, S-, and Se- ligands, performed with the aug-cc-pVTZ(-f) basis set at the Hartree-Fock level. Close agreement with QC is obtained for each individual contribution, even though the calibration involves only a limited set of cation-specific parameters. This agreement is preserved in tests on polyligated complexes with four and six O- ligands, water and formamide, indicating the transferability of the procedure. Preliminary extensions to density functional theory calculations are reported. © 2014 Wiley Periodicals, Inc.

  11. Volatilisation of alkali and alkaline earth metallic species during the gasification of a Victorian brown coal in CO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Quyn, Dimple Mody; Li, Chun-Zhu [CRC for Clean Power from Lignite, Department of Chemical Engineering, PO Box 36, Monash University, Victoria 3800 (Australia); Hayashi, Jun-ichiro [Centre for Advanced Research of Energy Conversion Materials, Hokkaido University, N13-W8, Kita-ku, Sapporo 060-8628 (Japan)

    2005-08-25

    A Victorian brown coal was gasified in a bench-scale quartz fluidised-bed/fixed-bed reactor in order to study the volatilisation of Na, Ca, and Mg during devolatilisation and gasification and their roles in the reactivity of chars. It was found that the majority of Na was volatilised at 900 {sup o}C under all conditions and that a Na retention limit was achieved in the char with the progress of CO{sub 2} gasification. In some cases, the presence of CO{sub 2} during devolatilisation enhanced the Na retention in the char. In contrast, the retention of Ca (and Mg) was unaffected by CO{sub 2} during devolatilisation at 900C but decreased drastically upon nascent char gasification. The fundamental differences in volatilisation between the alkali and alkaline earth metallic species are discussed in this paper.

  12. Solubility and Standard Gibb's energies of transfer of alkali metal perchlorates, tetramethyl- and tetraethylammonium from water to aqua-acetone solvents

    International Nuclear Information System (INIS)

    Kireev, A.A.; Pak, T.G.; Bezuglyj, V.D.

    1996-01-01

    Solubilities of KClO 4 , RbClO 4 , CsClO 4 , (CH 3 ) 4 NClO 4 , (C 2 M 5 ) 4 NClO 4 in water and water-acetone mixtures are determined by the method of isothermal saturation at 298.15 K. Dissociation constants of alkali metal perchlorates are found by conductometric method. Solubility products and standard Gibbs energies of transfer of corresponding electrolytes from water into water-acetone solvents are calculated. The character of transfer Gibbs energy dependence on solvent composition is explained by preferred solvation of cations by acetone molecules and anions-by water molecules. Features of tetraalkyl ammonium ions are explained by large changes in energy of cavity formation for these ions

  13. Three-phase metal kinetics in terrestrial invertebrates exposed to high metal concentrations

    Energy Technology Data Exchange (ETDEWEB)

    Laskowski, Ryszard, E-mail: ryszard.laskowski@uj.edu.pl [Institute of Environmental Sciences, Jagiellonian University, Gronostajowa 7, 30-387 Krakow (Poland); Bednarska, Agnieszka J. [Institute of Environmental Sciences, Jagiellonian University, Gronostajowa 7, 30-387 Krakow (Poland); Spurgeon, David; Svendsen, Claus [Centre for Ecology and Hydrology, Maclean Building, Benson Lane, Crowmarsh Gifford, Wallingford, Oxon, OX10 8BB (United Kingdom); Gestel, Cornelis A.M. van [Institute of Ecological Science, Vrije Universiteit, De Boelelaan 1085, 1081 HV Amsterdam (Netherlands)

    2010-08-15

    Models of metal toxicokinetics are critically evaluated using both newly generated data in the NoMiracle project as well as those originating from older studies. The analysis showed that the most frequently used one-compartment two-phase toxicokinetic model, with one assimilation and one elimination rate constant, does not describe correctly certain data sets pertaining particularly to the pattern of assimilation of trace elements. Using nickel toxicokinetics in carabid beetles and earthworms as examples, we showed that Ni in fact exhibits a three-phase kinetics with a short phase of fast metal accumulation immediately after exposure, followed by partial elimination to an equilibrium concentration at a later stage of a metal exposure phase, and by final elimination upon transfer to an uncontaminated food/soil. A similar phenomenon was also found for data on cadmium kinetics in ground beetles and copper kinetics in earthworms in data already published in the literature that was not accounted for in the earlier analysis of the data. The three-phase model suggests that the physiology of controlling body metal concentrations can change shortly after exposure, at least in some cases, by increasing the elimination rate and/or decreasing metal assimilation. Hence, the three-phase model, that allows for different assimilation and/or elimination rates in different phases of exposure to a toxicant, may provide insight into temporal changes in the physiology of metal handling. Consequently, this alternative model should always be tested when describing metal toxicokinetics when temporal patterns of internal metal concentration exhibit an initial 'overshoot' in body metal concentrations.

  14. Three-phase metal kinetics in terrestrial invertebrates exposed to high metal concentrations

    International Nuclear Information System (INIS)

    Laskowski, Ryszard; Bednarska, Agnieszka J.; Spurgeon, David; Svendsen, Claus; Gestel, Cornelis A.M. van

    2010-01-01

    Models of metal toxicokinetics are critically evaluated using both newly generated data in the NoMiracle project as well as those originating from older studies. The analysis showed that the most frequently used one-compartment two-phase toxicokinetic model, with one assimilation and one elimination rate constant, does not describe correctly certain data sets pertaining particularly to the pattern of assimilation of trace elements. Using nickel toxicokinetics in carabid beetles and earthworms as examples, we showed that Ni in fact exhibits a three-phase kinetics with a short phase of fast metal accumulation immediately after exposure, followed by partial elimination to an equilibrium concentration at a later stage of a metal exposure phase, and by final elimination upon transfer to an uncontaminated food/soil. A similar phenomenon was also found for data on cadmium kinetics in ground beetles and copper kinetics in earthworms in data already published in the literature that was not accounted for in the earlier analysis of the data. The three-phase model suggests that the physiology of controlling body metal concentrations can change shortly after exposure, at least in some cases, by increasing the elimination rate and/or decreasing metal assimilation. Hence, the three-phase model, that allows for different assimilation and/or elimination rates in different phases of exposure to a toxicant, may provide insight into temporal changes in the physiology of metal handling. Consequently, this alternative model should always be tested when describing metal toxicokinetics when temporal patterns of internal metal concentration exhibit an initial 'overshoot' in body metal concentrations.

  15. Identification and Quantification of Heavy Metals Concentrations in Pistacia

    Directory of Open Access Journals (Sweden)

    Gholamhossein DAVARYNEJAD

    2013-12-01

    Full Text Available The levels of heavy metals are very important in pistachio nuts, because the edible nuts have an important and increasing role in human nutrition. Pistachio is one of the native nuts of Iran which contains high genetic resources, but there is insufficient information regarding nutritional properties and other elements like heavy metals. The objective of the present study was to investigate and compare heavy metals contents in the kernels of various pistachio samples including; ‘Daneshmandi’, ‘Sephid’, ‘Garmeh’, ‘Momtaz’, ‘Ahmad Aghaei’, ‘Badami Zarand’, Pistacia atlantica Desf. (‘Baneh’, Pistacia vera ‘Sarakhs’ and chance seedling as ‘Non-grafted 1’, ‘Non-grafted 2’ and ‘Non-grafted 3’. Inductively coupled plasma emission spectrophotometer (ICP was used for the determination of aluminium, chromium, nickel, copper, strontium, arsenic, cadmium and cobalt concentrations in pistachio kernels. This study showed that there were significant differences among the samples in all measured heavy metals except the arsenic, cadmium and cobalt. The content of aluminium varied from 3.22 to 9.59 (mg kg-1 of dry matter and chromium concentration from 0.60 to 1.86 (mg kg-1 of dry matter. The nickel content of examined pistachio samples was found between 0.43 and 3.63 (mg kg-1 of dry matter and copper ranged from 3.20 to 12.33 (mg kg-1 of dry matter. The strontium content was observed between 4.96 and 24.93 (mg kg-1 of dry matter. The contents of arsenic, cadmium and cobalt not reported, because their amounts were lower than the detection limit of the applied measuring method (ICP. These data demonstrated that the concentrations of heavy metals in pistachios varied by cultivar.

  16. Thermal, structural and spectroscopic properties of Pr3+-doped lead zinc borate glasses modified by alkali metal ions

    Directory of Open Access Journals (Sweden)

    M.V. Sasi kumar

    2017-07-01

    Full Text Available This paper offers a study on Pr3+-doped alkali and mixed-alkali borate glasses prepared by the melt quenching technique and characterized by thermal, structural and spectroscopic studies. The amorphous nature of the glassy systems was identified based on X-ray diffraction. The thermal behaviour of glasses was studied using differential thermal analysis (DTA. The functional groups contained in the glasses were identified by Fourier transform infrared spectroscopy (FTIR. Spectral intensities were evaluated from the absorption spectra and used for calculating J–O intensity parameters, Ωλ (λ = 2, 4 and 6. Further, these parameters were used for calculating different radiative properties. The best radiative state was identified as the laser transition state among the various states. Emission analysis was performed for this state by calculating the branching ratios and stimulated emission cross sections (σp for all the prepared glasses. These studies suggest that borate glasses are useful for visible fluorescence.

  17. Density of mixed alkali borate glasses: A structural analysis

    International Nuclear Information System (INIS)

    Doweidar, H.; El-Damrawi, G.M.; Moustafa, Y.M.; Ramadan, R.M.

    2005-01-01

    Density of mixed alkali borate glasses has been correlated with the glass structure. It is assumed that in such glasses each alkali oxide associates with a proportional quantity of B 2 O 3 . The number of BO 3 and BO 4 units related to each type of alkali oxide depends on the total concentration of alkali oxide. It is concluded that in mixed alkali borate glasses the volumes of structural units related to an alkali ion are the same as in the corresponding binary alkali borate glass. This reveals that each type of alkali oxide forms its own borate matrix and behaves as if not affected with the presence of the other alkali oxide. Similar conclusions are valid for borate glasses with three types of alkali oxide

  18. Alkali metal ion-proton exchange equilibria and water sorption studies on nafon 117 membrane and dowex 50 W exchange resins: effect of long storage or aging

    International Nuclear Information System (INIS)

    Ramkumar, Jayshree; Venkataramani, B.

    2004-09-01

    Alkali metal ion -H + exchanges on Nafion 117 membrane treated differently, Dowex 50 W x 4 and Dowex 50 W x 8 resins have been studied at a total ionic strength of 0.1 mol dm -3 . The water sorption isotherms of these exchangers in different ionic forms generated over the entire range of water activity, have been analysed by the D'Arcy and Watt equation (DWE). Water sorption studies have shown that the physical structure of the exchangers have changed due to long -storage or aging, resulting in poorer water sorption and even formation of pores in the case of Dowex 50 W x 8 resin. As a result, the counter ions in the exchangers are not hydrated and the water is present in a free form, albeit structured, in the resin phase. The selectivity sequence for the alkali metal ions with reference to the H + (Li + + + ) for the exchangers used in the present study is in accordance with that reported in the literature for the ionomers having sulphonic acid as the functional group. In view of the absence of hydration of the cations in the resin phase, the driving force for the selectivity of the cation, namely, the net gain in entropy, is expected to come from the loss of structured water during the exchange process. Pre treating the Nafion 117 membrane with boiling acid solution activates the clustered region of the membrane in the H + form, while pretreatment with boiling water expands the non-ionic domain (the region connecting the clusters). These modifications influence the state of water present in the Nafion 117 membrane and the ion exchange equilibria. As a result of long storage or aging, the ion exchangers lose their elasticity or swelling characteristics. The results obtained in the present study indicate that in aged materials, the ionogenic groups are existing as isolated ion -pairs rather than in a clustered morphology. (author)

  19. Concentration of metals adjacent to Tiete river border avenues

    International Nuclear Information System (INIS)

    Silva, Natalia C. e; Figueiredo, Ana M.G.; Ribeiro, Andreza P.; Nammoura Neto, Georges M.; Camargo, Sonia P.; Ticianelli, Regina B.

    2009-01-01

    This work analysed different 5 cm depth fragments soils, with distinct characteristic s, collected at 8 points of the Tiete river marginal avenue at the Sao Paulo metropolitan region. The technique used for the analysis was the instrumental neutron activation analysis (INAA). Together with samples, metal concentration were measured in three reference materials BEN (IWG-GIT), GS-N (IWG-GIT) and Soil-7 (IAEA) for quality control of the results. These metals were analysed: arsenic (As), barium (Ba), chromium (Cr), cobalt (Co), antimony (Sb) e zinc (Zn); the obtained concentrations were compared with intervention limit values stipulated by the Companhia de Tecnologia de Saneamento Ambiental (CETESB). Those values indicate the soil quality for different use

  20. Variation of boron concentration in metallic glass ribbons

    International Nuclear Information System (INIS)

    Nagy, A.Z.; Vasvari, B.; Duwez, P.; Bakos, L.; Seres, Z.; Bogancs, J.; Nazarov, V.M.

    1979-12-01

    The surface boron concentration of Fe 40 Ni 40 P 14 B 6 , Fe 32 Ni 36 Cr 14 P 12 B 6 and Fe 40 Ni 40 B 20 metallic glasses was measured by neutron activation analysis on both sides of the ribbon samples. It was found that the boron concentration is always higher at the bright side of the ribbon than that at the dull side which is in contact with the cold surface of the wheel during the rapid quenching from the melt. A possible explanation is given in terms of the solid-liquid interface moving rapidly from the cooled surface to the free surface when preparing the samples. Range values of alpha-particles for some characteristic compositions of metallic glasses are tabulated. A mathematical technique for the deconvolution of experimental data is described and the listing of the Fortran program is enclosed. (author)

  1. The obtained of concentrates containing precious metals for pyrometallurgical processing

    Directory of Open Access Journals (Sweden)

    B. Oleksiak

    2014-10-01

    Full Text Available In the presented study the flotation process has been proposed as a method of enrichment of silver-bearing jewellery waste. This method, traditionally used for the enrichment of non-ferrous metal ores, is based on differences in wettability between individual minerals. Flotation concentrate, enriched with Ag, was subjected to further processing by the pyrometallurgical method in order to produce silver from these wastes.

  2. The obtained of concentrates containing precious metals for pyrometallurgical processing

    OpenAIRE

    Oleksiak, B.; Siwiec, G.; Blacha-Grzechnik, A.; Wieczorek, J.

    2014-01-01

    In the presented study the flotation process has been proposed as a method of enrichment of silver-bearing jewellery waste. This method, traditionally used for the enrichment of non-ferrous metal ores, is based on differences in wettability between individual minerals. Flotation concentrate, enriched with Ag, was subjected to further processing by the pyrometallurgical method in order to produce silver from these wastes.

  3. Heavy metals concentrations in coal and sediments from River ...

    African Journals Online (AJOL)

    The levels of some heavy metals such as; Mn, Cr, Cd, As, Ni, and Pb were analysed in coal and sediment samples from River Ekulu in Enugu, Coal City using Atomic Absorption Spectrophotometer (AAS) model Spectra-AA-10 variant. Mean concentrations of Mn (0.256-0.389mg/kg) and Cr (0.214-0.267 mg/kg) are high ...

  4. Variation of boron concentration in metallic glass ribbons

    International Nuclear Information System (INIS)

    Nagy, A.Z.; Vasvari, B.; Bakos, L.; Duwez, P.; Bogancs, J.; Nazarov, V.M.

    1980-01-01

    The boron concentration of Fe 40 Ni 40 P 14 B 6 , Fe 32 Ni 36 Cr 14 P 12 B 6 and Fe 40 Ni 40 B 20 metallic glasses is measured by neutron activation analysis on both surfaces of the ribbon samples. It is found that the boron concentration is always higher on the bright side of the ribbon than that on the dull side which is in contact with the cold surface of the wheel during the rapid quenching from the melt. A possible explanation is given in terms of the solid-liquid interface moving rapidly from the cooled surface to the free surface when preparing the samples. (author)

  5. Comparison of metal concentrations in rat tibia tissues with various metallic implants.

    Science.gov (United States)

    Okazaki, Yoshimitsu; Gotoh, Emiko; Manabe, Takeshi; Kobayashi, Kihei

    2004-12-01

    To compare metal concentrations in tibia tissues with various metallic implants, SUS316L stainless steel, Co-Cr-Mo casting alloy, and Ti-6Al-4V and V-free Ti-15Zr-4Nb-4Ta alloys were implanted into the rat tibia for up to 48 weeks. After the implant was removed from the tibia by decalcification, the tibia tissues near the implant were lyophilized. Then the concentrations of metals in the tibia tissues by microwave acid digestion were determined by inductively coupled plasma-mass spectrometry. Fe concentrations were determined by graphite-furnace atomic absorption spectrometry. The Fe concentration in the tibia tissues with the SUS316L implant was relatively high, and it rapidly increased up to 12 weeks and then decreased thereafter. On the other hand, the Co concentration in the tibia tissues with the Co-Cr-Mo implant was lower, and it increased up to 24 weeks and slightly decreased at 48 weeks. The Ni concentration in the tibia tissues with the SUS316L implant increased up to 6 weeks and then gradually decreased thereafter. The Cr concentration tended to be higher than the Co concentration. This Cr concentration linearly increased up to 12 weeks and then decreased toward 48 weeks in the tibia tissues with the SUS316L or Co-Cr-Mo implant. Minute quantities of Ti, Al and V in the tibia tissues with the Ti-6Al-4V implant were found. The Ti concentration in the tibia tissues with the Ti-15Zr-4Nb-4Ta implant was lower than that in the tibia tissues with the Ti-6Al-4V implant. The Zr, Nb and Ta concentrations were also very low. The Ti-15Zr-4Nb-4Ta alloy with its low metal release in vivo is considered advantageous for long-term implants.

  6. Alkali-Metal-Mediated Magnesiations of an N-Heterocyclic Carbene: Normal, Abnormal, and "Paranormal" Reactivity in a Single Tritopic Molecule.

    Science.gov (United States)

    Martínez-Martínez, Antonio J; Fuentes, M Ángeles; Hernán-Gómez, Alberto; Hevia, Eva; Kennedy, Alan R; Mulvey, Robert E; O'Hara, Charles T

    2015-11-16

    Herein the sodium alkylmagnesium amide [Na4Mg2(TMP)6(nBu)2] (TMP=2,2,6,6-tetramethylpiperidide), a template base as its deprotonating action is dictated primarily by its 12 atom ring structure, is studied with the common N-heterocyclic carbene (NHC) IPr [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]. Remarkably, magnesiation of IPr occurs at the para-position of an aryl substituent, sodiation occurs at the abnormal C4 position, and a dative bond occurs between normal C2 and sodium, all within a 20 atom ring structure accommodating two IPr(2-). Studies with different K/Mg and Na/Mg bimetallic bases led to two other magnesiated NHC structures containing two or three IPr(-) monoanions bound to Mg through abnormal C4 sites. Synergistic in that magnesiation can only work through alkali-metal mediation, these reactions add magnesium to the small cartel of metals capable of directly metalating a NHC. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Thermodynamic and structural properties of ball-milled mixtures composed of nano-structural graphite and alkali(-earth) metal hydride

    International Nuclear Information System (INIS)

    Miyaoka, Hiroki; Ichikawa, Takayuki; Fujii, Hironobu

    2007-01-01

    Hydrogen desorption properties of mechanically milled materials composed of nano-structural hydrogenated-graphite (C nano H x ) and alkali(-earth) metal hydride (MH; M = Na, Mg and Ca) were investigated from the thermodynamic and structural points of view. The hydrogen desorption temperature for all the C nano H x and MH composites was obviously lower than that of the corresponding each hydride. In addition, the desorption of hydrocarbons from C nano H x was significantly suppressed by making composite of C nano H x with MH, even though C nano H x itself thermally desorbs a considerably large amount of hydrocarbons. These results indicate that an interaction exists between C nano H x and MH, and hydrogen in both the phases is destabilized by a close contact between polar C-H groups in C nano H x and the MH solid phase. Moreover, a new type of chemical bonding between the nano-structural carbon (C nano ) and the Li, Ca, or Mg metal atoms may be formed after hydrogen desorption. Thus, the above metal-C-H system would be recognized as a new family of H-storage materials

  8. Metal Concentrations of Red Wines in Southeast Romania

    Directory of Open Access Journals (Sweden)

    Florin Dumitru BORA

    2017-11-01

    Full Text Available Daily consumption, wine contributes to the requirements of essential elements, such as Ca, Fe, Mn, Mo, Co, Cr, K, Ni, Se and Zn for humans. However, the presence of significant amount of heavy metal in wine may harm the health of consumers. The present work is aimed at establishing the heavy metal content in red wines from Dealu Bujorului vineyard using ICP-MS method for the determination of metals content. In this study 3 red wines obtained from ‘Băbească neagră’, ‘Negru Aromat’ and ‘Burgund Mare’ cultivars were investigated. The wine samples were obtained from micro-wine production under conditions of 2014, 2015, 2016 from Dealu Bujorului vineyard. The determination of 13 elements was performed with ICP-MS. The high level of Ca (64.81-62.49 mg/L, Mg (132.61-101.44 mg/L and Fe were observed in the wine samples analysed. Heavy metals like As, Cd, U, Hg and Pb was found below acceptable limits. Concentration of Na (1 mg/L, Cu (1 mg/L, As (0.2 mg/L, Cd (0.01 mg/L, Zn (5 mg/L and Pb (0.15 mg/L metals in analysed wine samples were under Maximum Permissible Limits (MPL, respectively as published by the Organization of Vine and Wine. Calcium and magnesium were the most abundant elements in all investigated wine samples. Concentration of Na (1 mg/L, Cu (1 mg/L, As (0.2 mg/L, Cd (0.01 mg/L, Zn (5 mg/L and Pb (0.15 mg/L in analysed wine samples were under Maximum Permissible Limits (MPL, respectively as published by the Organization of Vine and Wine.

  9. Chromium and cobalt ion concentrations in blood and serum following various types of metal-on-metal hip arthroplasties

    DEFF Research Database (Denmark)

    Jantzen, Christopher; Jørgensen, Henrik L; Duus, Benn R

    2013-01-01

    Widely different metal ion concentrations in blood and serum have been reported with metal-on-metal (MoM) implants. We reviewed the literature on blood and serum ion concentrations of chromium (Cr) and cobalt (Co) following various MoM hip arthroplasties.......Widely different metal ion concentrations in blood and serum have been reported with metal-on-metal (MoM) implants. We reviewed the literature on blood and serum ion concentrations of chromium (Cr) and cobalt (Co) following various MoM hip arthroplasties....

  10. Doping of alkali, alkaline-earth, and transition metals in covalent-organic frameworks for enhancing CO2 capture by first-principles calculations and molecular simulations.

    Science.gov (United States)

    Lan, Jianhui; Cao, Dapeng; Wang, Wenchuan; Smit, Berend

    2010-07-27

    We use the multiscale simulation approach, which combines the first-principles calculations and grand canonical Monte Carlo simulations, to comprehensively study the doping of a series of alkali (Li, Na, and K), alkaline-earth (Be, Mg, and Ca), and transition (Sc and Ti) metals in nanoporous covalent organic frameworks (COFs), and the effects of the doped metals on CO2 capture. The results indicate that, among all the metals studied, Li, Sc, and Ti can bind with COFs stably, while Be, Mg, and Ca cannot, because the binding of Be, Mg, and Ca with COFs is very weak. Furthermore, Li, Sc, and Ti can improve the uptakes of CO2 in COFs significantly. However, the binding energy of a CO2 molecule with Sc and Ti exceeds the lower limit of chemisorptions and, thus, suffers from the difficulty of desorption. By the comparative studies above, it is found that Li is the best surface modifier of COFs for CO2 capture among all the metals studied. Therefore, we further investigate the uptakes of CO2 in the Li-doped COFs. Our simulation results show that at 298 K and 1 bar, the excess CO2 uptakes of the Li-doped COF-102 and COF-105 reach 409 and 344 mg/g, which are about eight and four times those in the nondoped ones, respectively. As the pressure increases to 40 bar, the CO2 uptakes of the Li-doped COF-102 and COF-105 reach 1349 and 2266 mg/g at 298 K, respectively, which are among the reported highest scores to date. In summary, doping of metals in porous COFs provides an efficient approach for enhancing CO2 capture.

  11. Secondhand smoke is associated with heavy metal concentrations in children.

    Science.gov (United States)

    Li, Li; Guo, Li; Chen, Xingjie; Xiang, Mingli; Yang, Fang; Ren, Jing-Chao; Zhang, Guang-Hui

    2018-02-01

    Secondhand smoke (SHS) has adverse effects on health, particularly for children. Our purpose was to analyze the correlation between SHS exposure and heavy metal concentrations in children. The investigation was conducted in Xinxiang County, Henan Province, China, from August 2015 to December 2015. In total, 821 students (433 boys and 388 girls) were recruited, and the contents of heavy metals in their hair-including chromium, manganese, nickel, arsenic, lead, and cadmium-were detected by ICP-MS. The children's parents were informed, and a questionnaire was conducted, which included questions about smoking habits and demographic characteristics. Our results indicate that all parent smokers are fathers, 48.9% of fathers who are smokers, but 25.2% of fathers smoke in front of their children. The levels of chromium (median girls vs boys, μg/g) (2.36 vs 2.06, p secondhand smoking (SHS) exposure was inquired by face-to-face investigation of their parents. We illustrated that children exposed to SHS have increased lead and cadmium accumulations in the body. What is Known: • Secondhand smoke (SHS) has adverse effects on health, particularly for children. • There might be correlation between SHS exposure and heavy metal concentrations in children. What is New: • The levels of chromium, nickel, arsenic, and lead in girls were significantly higher than in boys. • SHS exposure in children was correlated with increasing levels of lead and cadmium in their hair because of exposure to SHS.

  12. Pathogens and Heavy Metals Concentration in Green Leafy Vegetables

    Directory of Open Access Journals (Sweden)

    Abida Begum

    2010-01-01

    Full Text Available Presence of heavy metal and bacterial pathogen in randomly collected samples of green leafy from various stations of Bengaluru city was detected. Heavy metals (cadmium, zinc, copper, iron, chromium, nickel and lead were analyzed by tri-acid digestion method. The presence of heavy metals in general was in the order of Cd>Zn>Cu>Fe>Cr>Pb. Trace metal concentration in all green leafy vegetables of stations 1-5 were within permissible limit and it has been exceeded in station 6-10. This indicated high levels of soil contamination pose potential danger for the vegetables grown in the vicinity of Arakere lake, Bannerghatta road, Gottigere lake, Naganaikanakere, Bommasandra lake, Hulimavu lake, Kelaginakere and Amblipura lake. The total bacteria and coliforms were enumerated on TSA (Tryptone Soya Agar and VRBA (Violet Red Bile Agar media respectively. The total bacterial count in randomly collected samples of coriander ranged from 296 cfu/g to 8 cfu/g, in palak from 16 cfu/g to 0.9 cfu/g, whereas in case of cabbage was 104 cfu/g to 0.9 cfu/g which is an indication of improper pre-harvest and post harvest handling.

  13. Concentrations of Heavy Metals in NPK Fertilizers Imported in Serbia

    Directory of Open Access Journals (Sweden)

    Jelena Milinović

    2008-01-01

    Full Text Available Concentrations of Pb, Cd, Cu and Mn in sixteen NPK fertilizers imported and widely used in Serbia were determined by flame atomic absorption spectrometry (AAS. The results show that contents of heavy metals varied significantly in different fertilizers dependingon N:P:K ratio and fertilizer origin. Pb and Cd contents in water solution of fertilizers occurred at low ranges: 2.0-3.1 and 0.03- 1.56 mg/kg, respectively. An NPK (15:15:15 fertilizer from Romania was found to contain the highest concentration of Pb and Cd as impurities. Cu content, ranging from 7.1 to 974.7 mg/kg, was the highest in coloured fertilizers from Hungary, the Netherlands and Greece. Mn value in a Hungarian NPK product (10:10:20 exceeds the average Mn value in soil. The data indicate variable contents of heavy metals in fertilizers, some of which are significantly higher than natural concentrations in soil, which suggests that they need to be continuously monitored.

  14. The effect of specific solvent-solute interactions on complexation of alkali-metal cations by a lower-rim calix[4]arene amide derivative.

    Science.gov (United States)

    Horvat, Gordan; Stilinović, Vladimir; Kaitner, Branko; Frkanec, Leo; Tomišić, Vladislav

    2013-11-04

    Complexation of alkali-metal cations with calix[4]arene secondary-amide derivative, 5,11,17,23-tetra(tert-butyl)-25,26,27,28-tetra(N-hexylcarbamoylmethoxy)calix[4]arene (L), in benzonitrile (PhCN) and methanol (MeOH) was studied by means of microcalorimetry, UV and NMR spectroscopies, and in the solid state by X-ray crystallography. The inclusion of solvent molecules (including acetonitrile, MeCN) in the calixarene hydrophobic cavity was also investigated. The classical molecular dynamics (MD) simulations of the systems studied were carried out. By combining the results obtained using the mentioned experimental and computational techniques, an attempt was made to get an as detailed insight into the complexation reactions as possible. The thermodynamic parameters, that is, equilibrium constants, reaction Gibbs energies, enthalpies, and entropies, of the investigated processes were determined and discussed. The stability constants of the 1:1 (metal:ligand) complexes measured by different methods were in very good agreement. Solution Gibbs energies of the ligand and its complexes with Na(+) and K(+) in methanol and acetonitrile were determined. It was established that from the thermodynamic point of view, apart from cation solvation, the most important reason for the huge difference in the stability of these complexes in the two solvents lay in the fact that the transfer of complex species from MeOH to MeCN was quite favorable. That could be at least partly explained by a more exergonic inclusion of the solvent molecule in the complexed calixarene cone in MeCN as compared to MeOH, which was supported by MD simulations. Molecular and crystal structures of the lithium cation complex of L with the benzonitrile molecule bound in the hydrophobic calixarene cavity were determined by single-crystal X-ray diffraction. As far as we are aware, for the first time the alkali-metal cation was found to be coordinated by the solvent nitrile group in a calixarene adduct. According to

  15. Theoretical study on the ground state of the polar alkali-metal-barium molecules: Potential energy curve and permanent dipole moment

    International Nuclear Information System (INIS)

    Gou, Dezhi; Kuang, Xiaoyu; Gao, Yufeng; Huo, Dongming

    2015-01-01

    In this paper, we systematically investigate the electronic structure for the 2 Σ + ground state of the polar alkali-metal-alkaline-earth-metal molecules BaAlk (Alk = Li, Na, K, Rb, and Cs). Potential energy curves and permanent dipole moments (PDMs) are determined using power quantum chemistry complete active space self-consistent field and multi-reference configuration interaction methods. Basic spectroscopic constants are derived from ro-vibrational bound state calculation. From the calculations, it is shown that BaK, BaRb, and BaCs molecules have moderate values of PDM at the equilibrium bond distance (BaK:1.62 D, BaRb:3.32 D, and BaCs:4.02 D). Besides, the equilibrium bond length (4.93 Å and 5.19 Å) and dissociation energy (0.1825 eV and 0.1817 eV) for the BaRb and BaCs are also obtained

  16. Comparison of arsenic acid with phosphoric acid in the interaction with a water molecule and an alkali/alkaline-earth metal cation.

    Science.gov (United States)

    Park, Sung Woo; Kim, Chang Woo; Lee, Ji Hyun; Shim, Giwoong; Kim, Kwang S

    2011-10-20

    Recently, Wolfe-Simon has discovered a bacterium which is able to survive using arsenic(V) rather than phosphorus(V) in its DNA. Thus it is important to investigate some important structural and chemical similarities and dissimilarities between phosphate and arsenate. We compared the monohydrated structures and the alkali/alkaline-earth metal (Na(+), K(+), Mg(2+) and Ca(2+)) complexes of the arsenic acid/anions with those of the phosphoric acid/anions [i.e., H(m)PO(4)(-(3-m)) vs H(m)AsO(4)(-(3-m)) (m = 1-3)]. We carried out geometry optimization along with harmonic frequency calculations using ab initio calculations. Despite the increased van der Waals radius of As, the hydrated structures of both P and As systems show very close similarity (within 0.25 Å in the P/As···O(water) distance and within a few kJ/mol in binding energy) because of the increased induction energies by more polar arsenic acid/anons and slightly increased dispersion energy by a larger size of the As atom. In the metal complexes, the arsenic acid has a slightly larger binding distance (by 0.07-1.0 Å) and weaker binding energy because the As(V) ion has a slightly larger radius than the P(V) ion, and the electrostatic interaction is the dominating feature in these systems.

  17. Experimental observation of electrochemical rate limitations affecting sodium ion-electron recombination at electrodes of the alkali metal thermoelectric converter at T about 1200 K

    Science.gov (United States)

    Williams, R. M.; Jeffries-Nakamura, B.; Loveland, M. E.; Underwood, M. L.; Bankston, C. P.

    1988-01-01

    This paper considers a model of the internal impedances of thin porous Mo and W alkali metal thermoelectric converter (AMTEC), in which the kinetic parameters associated with the reaction of the beta-double-prime alumina solid electrolite (BASE)/porous metal/gas three-phase boundary can be evaluated. Impedance data in the frequency range 0.01-100,000 Hz were collected over a range of AMTEC cell operating voltages for small-area thin porous Mo and W electrodes, yielding apparent charge transfer resistances at a series of cell potentials/currents. The ohmic resistance in the AMTEC cell could be broken down and characterized with three parameters: the BASE ionic resistance, the electrode film sheet resistance, and the contact/lead resistance, all of which could be calculated or measured independently and used to calculate power curves in good agreement with observed power curves. It is shown that these calculations can be used to predict the properties of electrodes with optimized parameters or to detect enhanced transport modes.

  18. Comparative metabolic responses and adaptive strategies of wheat (Triticum aestivum) to salt and alkali stress.

    Science.gov (United States)

    Guo, Rui; Yang, Zongze; Li, Feng; Yan, Changrong; Zhong, Xiuli; Liu, Qi; Xia, Xu; Li, Haoru; Zhao, Long

    2015-07-07

    It is well known that salinization (high-pH) has been considered as a major environmental threat to agricultural systems. The aim of this study was to investigate the differences between salt stress and alkali stress in metabolic profiles and nutrient accumulation of wheat; these parameters were also evaluated to determine the physiological adaptive mechanisms by which wheat tolerates alkali stress. The harmful effect of alkali stress on the growth and photosynthesis of wheat were stronger than those of salt stress. High-pH of alkali stress induced the most of phosphate and metal ions to precipitate; as a result, the availability of nutrients significantly declined. Under alkali stress, Ca sharply increased in roots, however, it decreased under salt stress. In addition, we detected the 75 metabolites that were different among the treatments according to GC-MS analysis, including organic acids, amino acids, sugars/polyols and others. The metabolic data showed salt stress and alkali stress caused different metabolic shifts; alkali stress has a stronger injurious effect on the distribution and accumulation of metabolites than salt stress. These outcomes correspond to specific detrimental effects of a highly pH environment. Ca had a significant positive correlation with alkali tolerates, and increasing Ca concentration can immediately trigger SOS Na exclusion system and reduce the Na injury. Salt stress caused metabolic shifts toward gluconeogenesis with increased sugars to avoid osmotic stress; energy in roots and active synthesis in leaves were needed by wheat to develop salt tolerance. Alkali stress (at high pH) significantly inhibited photosynthetic rate; thus, sugar production was reduced, N metabolism was limited, amino acid production was reduced, and glycolysis was inhibited.

  19. Thermodynamics of Small Alkali Metal Halide Cluster Ions: Comparison of Classical Molecular Simulations with Experiment and Quantum Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Vlcek, Lukas [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Uhlik, Filip [Charles Univ., Prague (Czech Republic); Moucka, Filip [Purkinje Univ. (Czech Republic); Nezbeda, Ivo [Purkinje Univ. (Czech Republic); Academy of Sciences of the Czech Republic (ASCR), Prague (Czech Republic); Chialvo, Ariel A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2015-12-16

    We evaluate the ability of selected classical molecular models to describe the thermodynamic and structural aspects of gas-phase hydration of alkali halide ions and the formation of small water clusters. To understand the effect of many-body interactions (polarization) and charge penetration effects on the accuracy of a force field, we perform Monte Carlo simulations with three rigid water models using different functional forms to account for these effects: (i) point charge non-polarizable SPC/E, (ii) Drude point charge polarizable SWM4- DP, and (iii) Drude Gaussian charge polarizable BK3. Model predictions are compared with experimental Gibbs free energies and enthalpies of ion hydration, and with microscopic structural properties obtained from quantum DFT calculations. We find that all three models provide comparable predictions for pure water clusters and cation hydration, but differ significantly in their description of anion hydration. None of the investigated classical force fields can consistently and quantitatively reproduce the experimental gas phase hydration thermodynamics. The outcome of this study highlights the relation between the functional form that describes the effective intermolecular interactions and the accuracy of the resulting ion hydration properties.

  20. Towards new molecular superconductors: a first study of alkali metal reduced aromatic cryptands as 'pseudo-fullerides'

    International Nuclear Information System (INIS)

    Demol, F.; Sauvage, F.X.; Devos, A.; De Backer, M.G.

    1999-01-01

    The search for new molecular superconductors based upon concepts derived from the interpretation of alkali fullerides superconductivity led to the study of an aromatic cryptand (IHIC) considered as 'pseudo-fullerene'. New solids made of IHIC mono or di-reduced by potassium, rubidium and cesium were investigated. Low field microwave absorption (LFMA) signals appeared at 20 K for IHIC-Rb and IHIC-K (1:1), although these observations could not be confirmed by AC susceptibility or SQUID magnetometry. IR spectroscopy was used to probe the integrity of the final solid. EPR spectra consisted of a single symmetric line, combination of a Gaussian and of a Lorentzian lineshape, down to 4.2 K. However, the paramagnetic contribution of the reduced molecular species was too high to allow the observation of any transition at low temperature. Although two samples had a semiconductor like conductivity behavior as a function of temperature at high temperature, no indication of the presence of conduction electrons could be observed on the EPR spectrum. The LFMA measurements obtained can be considered as hints of superconductivity, thus opening the route towards new materials. (orig.)