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Sample records for aluminum hydrogen cluster

  1. Structural, energetic, and electronic properties of hydrogenated aluminum arsenide clusters

    Science.gov (United States)

    Guo, Ling

    2011-05-01

    The chemisorptions of hydrogen on aluminum arsenide clusters are studied with density functional theory (DFT). The on-top site is identified to be the most favorable chemisorptions site for hydrogen. And the Al-top site is the preferred one in the most cases for one hydrogen adsorption in (AlAs) n ( n = 2, 5, 6, 8-15) clusters. Top on the neighboring Al and As atoms ground-state structures are found for two hydrogen adsorption on (AlAs) n except for (AlAs)2 cluster. The Al-As bond lengths decrease generally as the size of the cluster increases. And there is a slight increase in the mean Al-As bond lengths after H adsorption on the lowest-energy sites of the most AlAs clusters. In general, the binding energy of H and 2H are both found to decrease with an increase in the cluster size. And the result shows that large binding energies (BE) of a single hydrogen atom on small AlAs clusters and large highest occupied and lowest unoccupied molecular-orbital gaps for (AlAs)H and (AlAs)3H make these species behaving like magic clusters. Calculations on two hydrogen atoms on (AlAs) n clusters show large BE for (AlAs) n H2 with an odd number of n. The stability of these complexes is further studied from the fragmentation energies. (AlAs)7H2 and (AlAs)9H2 clusters are again suggested to be the stable clusters. On the other hand both the fragmentation energy and the binding energy for (AlAs)13H are close to the lowest values.

  2. Reaction of aluminum clusters with water

    Science.gov (United States)

    Ohmura, Satoshi; Shimojo, Fuyuki; Kalia, Rajiv K.; Kunaseth, Manaschai; Nakano, Aiichiro; Vashishta, Priya

    2011-06-01

    The atomistic mechanism of rapid hydrogen production from water by an aluminum cluster is investigated by ab initio molecular dynamics simulations on a parallel computer. A low activation-barrier mechanism of hydrogen production is found, in which a pair of Lewis acid and base sites on the cluster surface plays a crucial role. Hydrogen production is assisted by rapid proton transport in water via a chain of hydrogen-bond switching events similar to the Grotthuss mechanism, where hydroxide ions are converted to water molecules at the Lewis-acid sites and hydrogen atoms are supplied at the Lewis-base sites. The activation free energy is estimated along various reaction paths associated with hydrogen production, and the corresponding reaction rates are discussed based on the transition state theory.

  3. Hydrogen effects in aluminum alloys

    International Nuclear Information System (INIS)

    Louthan, M.R. Jr.; Caskey, G.R. Jr.; Dexter, A.H.

    1976-01-01

    The permeability of six commercial aluminum alloys to deuterium and tritium was determined by several techniques. Surface films inhibited permeation under most conditions; however, contact with lithium deuteride during the tests minimized the surface effects. Under these conditions phi/sub D 2 / = 1.9 x 10 -2 exp (--22,400/RT) cc (NTP)atm/sup -- 1 / 2 / s -1 cm -1 . The six alloys were also tested before, during, and after exposure to high pressure hydrogen, and no hydrogen-induced effects on the tensile properties were observed

  4. Activated aluminum hydride hydrogen storage compositions and uses thereof

    Science.gov (United States)

    Sandrock, Gary; Reilly, James; Graetz, Jason; Wegrzyn, James E.

    2010-11-23

    In one aspect, the invention relates to activated aluminum hydride hydrogen storage compositions containing aluminum hydride in the presence of, or absence of, hydrogen desorption stimulants. The invention particularly relates to such compositions having one or more hydrogen desorption stimulants selected from metal hydrides and metal aluminum hydrides. In another aspect, the invention relates to methods for generating hydrogen from such hydrogen storage compositions.

  5. Study of aluminum-doped silicon clusters

    International Nuclear Information System (INIS)

    Zhan Shichang; Li Baoxing; Yang Jiansong

    2007-01-01

    Using full-muffin-tin-orbital molecular-dynamics (FP-LMTO-MD) method, we have investigated the effect of aluminum heteroatoms on the geometric structures and bond characteristics of Si n (n=5-10) clusters in detail. It is found that the geometric framework of the ground state structures for Si n (n=5-10) clusters change to some extent upon the substitution of Al atoms in some Si atoms. The effect of aluminum doping on the silicon clusters depends on the geometric structures of Si n (n=5-10) clusters. In particular, the calculations suggest that the aluminum doping would improve the bond strength of some Si-Si bonds in the mixed Si n - m Al m clusters

  6. Solid Aluminum Borohydrides for Prospective Hydrogen Storage.

    Science.gov (United States)

    Dovgaliuk, Iurii; Safin, Damir A; Tumanov, Nikolay A; Morelle, Fabrice; Moulai, Adel; Černý, Radovan; Łodziana, Zbigniew; Devillers, Michel; Filinchuk, Yaroslav

    2017-12-08

    Metal borohydrides are intensively researched as high-capacity hydrogen storage materials. Aluminum is a cheap, light, and abundant element and Al 3+ can serve as a template for reversible dehydrogenation. However, Al(BH 4 ) 3 , containing 16.9 wt % of hydrogen, has a low boiling point, is explosive on air and has poor storage stability. A new family of mixed-cation borohydrides M[Al(BH 4 ) 4 ], which are all solid under ambient conditions, show diverse thermal decomposition behaviors: Al(BH 4 ) 3 is released for M=Li + or Na + , whereas heavier derivatives evolve hydrogen and diborane. NH 4 [Al(BH 4 ) 4 ], containing both protic and hydridic hydrogen, has the lowest decomposition temperature of 35 °C and yields Al(BH 4 ) 3 ⋅NHBH and hydrogen. The decomposition temperatures, correlated with the cations' ionic potential, show that M[Al(BH 4 ) 4 ] species are in the most practical stability window. This family of solids, with convenient and versatile properties, puts aluminum borohydride chemistry in the mainstream of hydrogen storage research, for example, for the development of reactive hydride composites with increased hydrogen content. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Synthesis and Hydrogen Desorption Properties of Aluminum Hydrides.

    Science.gov (United States)

    Jeong, Wanseop; Lee, Sang-Hwa; Kim, Jaeyong

    2016-03-01

    Aluminum hydride (AlH3 or alane) is known to store maximum 10.1 wt.% of hydrogen at relatively low temperature (aluminum. Our results show that the total amount of desorbed hydrogen from α-AlH3 exceeded 9.05 wt.%, with a possibility of further increase. Easy synthesis, thermal stability, and a large amount of hydrogen desorption of alane fulfill the requirements for light-weight hydrogen storage materials once the pathway of hydrogen cycling is provided.

  8. The Oxidation Products of Aluminum Hydride and Boron Aluminum Hydride Clusters

    Science.gov (United States)

    2016-01-04

    AFRL-AFOSR-VA-TR-2016-0075 The Oxidation Products of Aluminum Hydride and Boron Aluminum Hydride Clusters KIT BOWEN JOHNS HOPKINS UNIV BALTIMORE MD... Hydride and Boron Aluminum Hydride Clusters 5a.  CONTRACT NUMBER 5b.  GRANT NUMBER FA9550-14-1-0324 5c.  PROGRAM ELEMENT NUMBER 61102F 6. AUTHOR(S) KIT...of both Aluminum Hydride Cluster Anions and Boron Aluminum Hydride Cluster Anions with Oxygen: Anionic Products The anionic products of reactions

  9. Hydrogen diffusion in liquid aluminum from ab initio molecular dynamics

    Science.gov (United States)

    Jakse, N.; Pasturel, A.

    2014-05-01

    Ab initio molecular dynamics simulations are used to describe the diffusion of hydrogen in liquid aluminum at different temperatures. Quasi-instantaneous jumps separating periods of localized vibrations around a mean position are found to characterize the hydrogen motion at the microscopic scale. The hydrogen motion is furthermore analyzed using the van Hove function. We highlight a non-Fickian behavior for the hydrogen diffusion due to a large spatial distribution of hydrogen jumps. We show that a generalized continuous time random walk (CTRW) model describes the experimental diffusion coefficients in a satisfactory manner. Finally, the impact of impurities and alloying elements on hydrogen diffusion in aluminum is discussed.

  10. Reaction of Aluminum with Water to Produce Hydrogen - 2010 Update

    Energy Technology Data Exchange (ETDEWEB)

    Petrovic, John [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Thomas, George [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2011-06-01

    A Study of Issues Related to the Use of Aluminum for On-Board Vehicular Hydrogen Storage The purpose of this White Paper is to describe and evaluate the potential of aluminum-water reactions for the production of hydrogen for on-board hydrogen-powered vehicle applications. Although the concept of reacting aluminum metal with water to produce hydrogen is not new, there have been a number of recent claims that such aluminum-water reactions might be employed to power fuel cell devices for portable applications such as emergency generators and laptop computers, and might even be considered for possible use as the hydrogen source for fuel cell-powered vehicles.

  11. Utilization of Aluminum Waste with Hydrogen and Heat Generation

    Science.gov (United States)

    Buryakovskaya, O. A.; Meshkov, E. A.; Vlaskin, M. S.; Shkolnokov, E. I.; Zhuk, A. Z.

    2017-10-01

    A concept of energy generation via hydrogen and heat production from aluminum containing wastes is proposed. The hydrogen obtained by oxidation reaction between aluminum waste and aqueous solutions can be supplied to fuel cells and/or infrared heaters for electricity or heat generation in the region of waste recycling. The heat released during the reaction also can be effectively used. The proposed method of aluminum waste recycling may represent a promising and cost-effective solution in cases when waste transportation to recycling plants involves significant financial losses (e.g. remote areas). Experiments with mechanically dispersed aluminum cans demonstrated that the reaction rate in alkaline solution is high enough for practical use of the oxidation process. In theexperiments aluminum oxidation proceeds without any additional aluminum activation.

  12. Hydrogen storage in sodium aluminum hydride.

    Energy Technology Data Exchange (ETDEWEB)

    Ozolins, Vidvuds; Herberg, J.L. (Lawrence Livermore National Laboratories, Livermore, CA); McCarty, Kevin F.; Maxwell, Robert S. (Lawrence Livermore National Laboratories, Livermore, CA); Stumpf, Roland Rudolph; Majzoub, Eric H.

    2005-11-01

    Sodium aluminum hydride, NaAlH{sub 4}, has been studied for use as a hydrogen storage material. The effect of Ti, as a few mol. % dopant in the system to increase kinetics of hydrogen sorption, is studied with respect to changes in lattice structure of the crystal. No Ti substitution is found in the crystal lattice. Electronic structure calculations indicate that the NaAlH{sub 4} and Na{sub 3}AlH{sub 6} structures are complex-ionic hydrides with Na{sup +} cations and AlH{sub 4}{sup -} and AlH{sub 6}{sup 3-} anions, respectively. Compound formation studies indicate the primary Ti-compound formed when doping the material at 33 at. % is TiAl{sub 3} , and likely Ti-Al compounds at lower doping rates. A general study of sorption kinetics of NaAlH{sub 4}, when doped with a variety of Ti-halide compounds, indicates a uniform response with the kinetics similar for all dopants. NMR multiple quantum studies of solution-doped samples indicate solvent interaction with the doped alanate. Raman spectroscopy was used to study the lattice dynamics of NaAlH{sub 4}, and illustrated the molecular ionic nature of the lattice as a separation of vibrational modes between the AlH{sub 4}{sup -} anion-modes and lattice-modes. In-situ Raman measurements indicate a stable AlH{sub 4}{sup -} anion that is stable at the melting temperature of NaAlH{sub 4}, indicating that Ti-dopants must affect the Al-H bond strength.

  13. Photoelectron spectroscopy of boron aluminum hydride cluster anions

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Haopeng; Zhang, Xinxing; Ko, Yeon Jae; Gantefoer, Gerd; Bowen, Kit H., E-mail: kbowen@jhu.edu, E-mail: kiran@mcneese.edu [Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Li, Xiang [Center for Space Science and Technology, University of Maryland–Baltimore County, Baltimore, Maryland 21250 (United States); Kiran, Boggavarapu, E-mail: kbowen@jhu.edu, E-mail: kiran@mcneese.edu [Department of Chemistry and Physics, McNeese State University, Lake Charles, Louisiana 70609 (United States); Kandalam, Anil K. [Department of Physics, West Chester University, West Chester, Pennsylvania 19383 (United States)

    2014-04-28

    Boron aluminum hydride clusters are studied through a synergetic combination of anion photoelectron spectroscopy and density functional theory based calculations. Boron aluminum hydride cluster anions, B{sub x}Al{sub y}H{sub z}{sup −}, were generated in a pulsed arc cluster ionization source and identified by time-of-flight mass spectrometry. After mass selection, their photoelectron spectra were measured by a magnetic bottle-type electron energy analyzer. The resultant photoelectron spectra as well as calculations on a selected series of stoichiometries reveal significant geometrical changes upon substitution of aluminum atoms by boron atoms.

  14. Photoelectron spectroscopy of boron aluminum hydride cluster anions.

    Science.gov (United States)

    Wang, Haopeng; Zhang, Xinxing; Ko, Yeon Jae; Gantefoer, Gerd; Bowen, Kit H; Li, Xiang; Kiran, Boggavarapu; Kandalam, Anil K

    2014-04-28

    Boron aluminum hydride clusters are studied through a synergetic combination of anion photoelectron spectroscopy and density functional theory based calculations. Boron aluminum hydride cluster anions, BxAlyHz(-), were generated in a pulsed arc cluster ionization source and identified by time-of-flight mass spectrometry. After mass selection, their photoelectron spectra were measured by a magnetic bottle-type electron energy analyzer. The resultant photoelectron spectra as well as calculations on a selected series of stoichiometries reveal significant geometrical changes upon substitution of aluminum atoms by boron atoms.

  15. Precipitation hardening and hydrogen embrittlement of aluminum ...

    Indian Academy of Sciences (India)

    AA7020 Al–Mg–Zn, a medium strength aluminium alloy, is used in welded structures in military and aerospace applications. As it may be subjected to extremes of environmental exposures, including high pressure liquid hydrogen, it could suffer hydrogen embrittlement. Hydrogen susceptibility of alloy AA7020 was ...

  16. Precipitation hardening and hydrogen embrittlement of aluminum ...

    Indian Academy of Sciences (India)

    that many high-strength aluminium alloys are prone to environment-assisted cracking, and hydrogen embrittlement could be a possible mechanism for the same. Now there is overwhelming evidence in the literature to the fact that hydrogen embrittlement is involved in the stress corrosion cracking of 7XXX series alloys in ...

  17. Photoelectron spectroscopic study of carbon aluminum hydride cluster anions

    Science.gov (United States)

    Zhang, Xinxing; Wang, Haopeng; Ganteför, Gerd; Eichhorn, Bryan W.; Kiran, Boggavarapu; Bowen, Kit H.

    2016-10-01

    Numerous previously unknown carbon aluminum hydride cluster anions were generated in the gas phase, identified by time-of-flight mass spectrometry and characterized by anion photoelectron spectroscopy, revealing their electronic structure. Density functional theory calculations on the CAl5-9H- and CAl5-7H2- found that several of them possess unusually high carbon atom coordination numbers. These cluster compositions have potential as the basis for new energetic materials.

  18. Energy analysis of hydrogen and electricity production from aluminum-based processes

    International Nuclear Information System (INIS)

    Wang, Huizhi; Leung, Dennis Y.C.; Leung, Michael K.H.

    2012-01-01

    The aluminum energy conversion processes have been characterized to be carbon-free and sustainable. However, their applications are restrained by aluminum production capacity as aluminum is never found as a free metal on the earth. This study gives an assessment of typical aluminum-based energy processes in terms of overall energy efficiency and cost. Moreover, characteristics associated with different processes are identified. Results in this study indicate the route from which aluminum is produced can be a key factor in determining the efficiency and costs. Besides, the aluminum–air battery provides a more energy-efficient manner for the conversion of energy stored in primary aluminum and recovered aluminum from products compared to aluminum-based hydrogen production, whereas the aluminum-based hydrogen production gives a more energy-efficient way of utilizing energy stored in secondary aluminum or even scrap aluminum.

  19. Proton-Induced Plasticity in Hydrogen Clusters

    International Nuclear Information System (INIS)

    Stich, I.; Marx, D.; Parrinello, M.; Terakura, K.; Terakura, K.

    1997-01-01

    The effect of protonation of pure hydrogen clusters is investigated at low temperature using a combination of path-integral simulations and first-principles electronic structure calculations. The added proton gets trapped as a very localized H 3 + impurity in the cluster core, and is surrounded by stable shells of solvating H 2 molecules. These clusters are frozen with respect to the translational degrees of freedom, while the H 2 ligands undergo large-amplitude rotations. The classical approximation for the nuclei fails to account for this effect which is akin to plastic behavior in crystals. copyright 1997 The American Physical Society

  20. Proton-Induced Plasticity in Hydrogen Clusters

    Energy Technology Data Exchange (ETDEWEB)

    Stich, I. [JRCAT, Angstrom Technology Partnership, 1-1-4 Higashi, Tsukuba, Ibaraki 305 (Japan); Marx, D.; Parrinello, M. [Max-Planck-Institut fuer Festkoerperforschung, Heisenbergstrasse 1, 70569 Stuttgart (Germany); Terakura, K. [NAIR, Angstrom Technology Partnership, 1-1-4 Higashi, Tsukuba, Ibaraki 305 (Japan); Terakura, K. [CREST, Japan Science and Technology Corporation (JST), Kawaguchi, Saitama 332 (Japan)

    1997-05-01

    The effect of protonation of pure hydrogen clusters is investigated at low temperature using a combination of path-integral simulations and first-principles electronic structure calculations. The added proton gets trapped as a very localized H{sub 3}{sup +} impurity in the cluster core, and is surrounded by stable shells of solvating H{sub 2} molecules. These clusters are frozen with respect to the translational degrees of freedom, while the H{sub 2} ligands undergo large-amplitude rotations. The classical approximation for the nuclei fails to account for this effect which is akin to plastic behavior in crystals. {copyright} {ital 1997} {ital The American Physical Society}

  1. The quantum structure of anionic hydrogen clusters

    Science.gov (United States)

    Calvo, F.; Yurtsever, E.

    2018-03-01

    A flexible and polarizable interatomic potential has been developed to model hydrogen clusters interacting with one hydrogen anion, (H2)nH-, in a broad range of sizes n = 1-54 and parametrized against coupled cluster quantum chemical calculations. Using path-integral molecular dynamics simulations at 1 K initiated from the putative classical global minima, the equilibrium structures are found to generally rely on icosahedral shells with the hydrogen molecules pointing toward the anion, producing geometric magic numbers at sizes n = 12, 32, and 44 that are in agreement with recent mass spectrometry measurements. The energetic stability of the clusters is also connected with the extent of vibrational delocalization, measured here by the fluctuations among inherent structures hidden in the vibrational wave function. As the clusters grow, the outer molecules become increasingly free to rotate, and strong finite size effects are also found between magic numbers, associated with more prominent vibrational delocalization. The effective icosahedral structure of the 44-molecule cluster is found to originate from quantum nuclear effects as well, the classical structure showing no particular symmetry.

  2. Ligand Effects in Aluminum Cluster based Energetic Materials

    Science.gov (United States)

    2017-09-01

    nature of the Slater determinant [49]. represents the self-interaction of the electron density cloud and the potential is considered local [49], [50...including terms containing the gradient of the actual (non-uniform) electron density [49]. Attempts to improve upon GGA functionals with higher...maximum 200 words) This dissertation examines the electronic structure and thermochemistry of low-valent aluminum clusters that may serve as

  3. Hydrogen partitioning in pure cast aluminum as determined by dynamic evolution rate measurements

    Science.gov (United States)

    Outlaw, R. A.; Peterson, D. T.; Schmidt, F. A.

    1981-01-01

    Hydrogen in pure aluminum can be found in two different states. One is related to a presence in gas-filled pores, while the other state involves the formation of a solid solution between hydrogen and aluminum. The considered investigation is concerned with the distribution of the hydrogen between various states. A dynamic technique is employed to measure the evolution of hydrogen from commercially available samples of polycrystalline pure aluminum under ultrahigh vacuum conditions. The obtained data are compared with the results of a statistical analysis concerning the porosity in the cast aluminum. It was found that more than 99 pct of the hydrogen in the aluminum is located in large pores. Less than 1 pct of the hydrogen is partitioned between the solid solution and the small pores.

  4. Low oxidation state aluminum-containing cluster anions: Cp∗AlnH-, n = 1-3

    Science.gov (United States)

    Zhang, Xinxing; Ganteför, Gerd; Eichhorn, Bryan; Mayo, Dennis; Sawyer, William H.; Gill, Ann F.; Kandalam, Anil K.; Schnöckel, Hansgeorg; Bowen, Kit

    2016-08-01

    Three new, low oxidation state, aluminum-containing cluster anions, Cp*AlnH-, n = 1-3, were prepared via reactions between aluminum hydride cluster anions, AlnHm-, and Cp*H ligands. These were characterized by mass spectrometry, anion photoelectron spectroscopy, and density functional theory based calculations. Agreement between the experimentally and theoretically determined vertical detachment energies and adiabatic detachment energies validated the computed geometrical structures. Reactions between aluminum hydride cluster anions and ligands provide a new avenue for discovering low oxidation state, ligated aluminum clusters.

  5. Coupling a PEM fuel cell and the hydrogen generation from aluminum waste cans

    Energy Technology Data Exchange (ETDEWEB)

    Martinez, Susana Silva; Albanil Sanchez, Loyda; Alvarez Gallegos, Alberto A. [Centro de Investigacion en Ingenieria y Ciencias Aplicadas, Av. Universidad 1001, Col. Chamilpa, Cuernavaca, Mor. CP 62210 (Mexico); Sebastian, P.J. [Centro de Investigacion en Energia-UNAM, 62580 Temixco, Morelos (Mexico); Cuerpo Academico de Energia y Sustentabilidad, UPCH, Tuxtla Gutierrez, Chiapas (Mexico)

    2007-10-15

    High purity hydrogen was generated from the chemical reaction of aluminum and sodium hydroxide. The aluminum used in this study was obtained from empty soft drink cans and treated with concentrated sulfuric acid to remove the paint and plastic film. One gram of aluminum was reacted with a solution of 2moldm{sup -3} of sodium hydroxide to produce hydrogen. The hydrogen produced from aluminum cans and oxygen obtained from a proton exchange membrane electrolyzer or air, was fed to a proton exchange membrane (PEM) fuel cell to produce electricity. Yields of 44 mmol of hydrogen contained in a volume of 1.760dm{sup 3} were produced from one gram of aluminum in a time period of 20 min. (author)

  6. A study of hydrogen permeation in aluminum alloy treated by various oxidation processes

    International Nuclear Information System (INIS)

    Song Wenhai; Long Bin

    1997-01-01

    A set of oxide coatings was formed on the surface of an Al alloy (wt%: Fe, 0.24; Si, 1.16; Cu, 0.05-0.2; Zn, 0.1; Al, residual) by means of various oxidation processes. The hydrogen permeability through the aluminum alloy and its coating materials was determined by a vapor phase permeation technique at temperatures ranging from 400 to 500 C using high-purity H 2 (99.9999%) gas with an upstream hydrogen pressure of 10 4 -10 5 Pa. The experimental results show that the hydrogen permeability through aluminum oxide coating is 100-2000 times lower than that through the aluminum alloy substrate. This means that the aluminum oxide is a significant hydrogen permeation barrier. A high hydrogen permeation resistance was observed in an oxide layer prefilmed in 200 C water, while an anodized aluminum oxide film had a less obstructive effect, possibly caused by the porous structure of the anodic oxide. The hydrogen permeability through films of aluminum oxide was not a simple function of the aluminum-oxide phase configuration. (orig.)

  7. Aluminum Cluster-Based Materials for Propulsion and Other Applications

    Science.gov (United States)

    2012-04-04

    spontaneous generation of hydrogen from water. More recent work has shown that such pairs can even break OH bond in methanol and CO bond in formaldehyde . These...covalent bonds including carbonyl bond in formaldehyde.Gp11 D. On the Growth Mechanisms of Nb3Cn- (n=5-10) Clusters: Metallocarbohedrenes (Met-Cars...075435-1 – 075435-7 (2011). GP11. “ Carbonyl Bond Cleavage by Complementary Active Sites”, W. H. Woodward, A. C. Reber, J. C. Smith, S. N. Khanna

  8. Chemical decomposition of water into hydrogen in heterogeneous aluminum-containing compositions

    International Nuclear Information System (INIS)

    Milinchuk, V.K.; Belozerov, V.I.; Anan'eva, O.A.; Laricheva, T.E.; Kunitsyna, T.E.

    2014-01-01

    Authors investigate the kinetic regularities and mechanism of chemical decomposition of water into hydrogen in heterogeneous hydro-reactive systems, containing aluminum, aluminum alloys, and such chemical compounds as liquid sodium glass or quicklime giving a water solution an alkaline character [ru

  9. Oxidation of ligand-protected aluminum clusters: An ab initio molecular dynamics study

    International Nuclear Information System (INIS)

    Alnemrat, Sufian; Hooper, Joseph P.

    2014-01-01

    We report Car-Parrinello molecular dynamics simulations of the oxidation of ligand-protected aluminum clusters that form a prototypical cluster-assembled material. These clusters contain a small aluminum core surrounded by a monolayer of organic ligand. The aromatic cyclopentadienyl ligands form a strong bond with surface Al atoms, giving rise to an organometallic cluster that crystallizes into a low-symmetry solid and is briefly stable in air before oxidizing. Our calculations of isolated aluminum/cyclopentadienyl clusters reacting with oxygen show minimal reaction between the ligand and O 2 molecules at simulation temperatures of 500 and 1000 K. In all cases, the reaction pathway involves O 2 diffusing through the ligand barrier, splitting into atomic oxygen upon contact with the aluminum, and forming an oxide cluster with aluminum/ligand bonds still largely intact. Loss of individual aluminum-ligand units, as expected from unimolecular decomposition calculations, is not observed except following significant oxidation. These calculations highlight the role of the ligand in providing a steric barrier against oxidizers and in maintaining the large aluminum surface area of the solid-state cluster material

  10. Kinetic energy distributions of sputtered neutral aluminum clusters: Al--Al6

    International Nuclear Information System (INIS)

    Coon, S.R.; Calaway, W.F.; Pellin, M.J.; Curlee, G.A.; White, J.M.

    1992-01-01

    Neutral aluminum clusters sputtered from polycrystalline aluminum were analyzed by laser postionization time-of-flight (TOF) mass spectrometry. The kinetic energy distributions of Al through Al 6 were measured by a neutrals time-of-flight technique. The interpretation of laser postionization TOF data to extract velocity and energy distributions is presented. The aluminum cluster distributions are qualitatively similar to previous copper cluster distribution measurements from our laboratory. In contrast to the steep high energy tails predicted by the single- or multiple- collision models, the measured cluster distributions have high energy power law dependences in the range of E -3 to E -4.5 . Correlated collision models may explain the substantial abundance of energetic clusters that are observed in these experiments. Possible influences of cluster fragmentation on the distributions are discussed

  11. Calculation of the radial distribution function of bubbles in the aluminum hydrogen system

    Energy Technology Data Exchange (ETDEWEB)

    Buckley, C.E. [Curtin Univ. of Technol., Perth (Australia). Dept. of Appl. Phys.; Birnbaum, H.K. [Materials Research Laboratory, University of Illinois, Urbana, IL (United States); Bellmann, D.; Staron, P. [Institute for Materials Research, GKSS-Research Centre, Geesthacht GmbH, D-21502, Geesthacht (Germany)

    1999-12-20

    Aluminum foils of 99.99% purity were charged with hydrogen using a gas plasma method with a voltage in the range of 1.0-1.2 keV and current densities ranging from 0.66 to 0.81 mA cm{sup -2}, resulting in the introduction of a large amount of hydrogen. X-ray diffraction measurements indicated that within experimental error there was a zero change in lattice parameter after plasma charging. This result is contradictory to almost all other FCC materials, which exhibit a lattice expansion when the hydrogen enters the lattice interstitially. It is hypothesised that the hydrogen does not enter the lattice interstitially, but instead forms a H-vacancy complex at the surface which diffuses into the volume and then clusters to form H{sub 2} bubbles. The nature and agglomeration of the bubbles were studied with a variety of techniques, such as small angle, ultra small angle and inelastic neutron scattering (SANS, USANS and INS), transmission and scanning electron microscopy (TEM and SEM), precision density measurements (PDM) and X-ray diffraction. The USANS and SANS results indicated scattering from a wide range of bubble sizes from <10 A up to micron size bubbles. Subsequent SEM and TEM measurements revealed the existence of bubbles on the surface, as well as in the bulk and INS experiments show that hydrogen is in the bulk in the form of H{sub 2} molecules. In this paper we calculate the radial distribution function of the bubbles from the SANS and USANS results using methods based on the models derived by Brill et al., Fedorova et al. and Mulato et al. The scattering is assumed to be from independent spherical bubbles. Mulato et al. model is modified by incorporating smearing effects, which consider the instrumental resolution of the 30 m SANS spectrometer at NIST. The distribution functions calculated from the two methods are compared, and these distributions are then compared with the range of particle sizes found from TEM and SEM techniques. (orig.)

  12. Low oxidation state aluminum-containing cluster anions: Cp(∗)AlnH(-), n = 1-3.

    Science.gov (United States)

    Zhang, Xinxing; Ganteför, Gerd; Eichhorn, Bryan; Mayo, Dennis; Sawyer, William H; Gill, Ann F; Kandalam, Anil K; Schnöckel, Hansgeorg; Bowen, Kit

    2016-08-21

    Three new, low oxidation state, aluminum-containing cluster anions, Cp*AlnH(-), n = 1-3, were prepared via reactions between aluminum hydride cluster anions, AlnHm (-), and Cp*H ligands. These were characterized by mass spectrometry, anion photoelectron spectroscopy, and density functional theory based calculations. Agreement between the experimentally and theoretically determined vertical detachment energies and adiabatic detachment energies validated the computed geometrical structures. Reactions between aluminum hydride cluster anions and ligands provide a new avenue for discovering low oxidation state, ligated aluminum clusters.

  13. New nanomaterials for hydrogen storage. A new class of aluminum hydrides; Neue Nanomaterialien zur Wasserstoffspeicherung. Eine neue Klasse von Aluminiumhydriden

    Energy Technology Data Exchange (ETDEWEB)

    Cordes, Joern

    2009-02-13

    In this work, Aluminum was vaporized in a PACIS cluster source, while molecular Hydrogen was also provided, thus producing Aluminum hydride clusters. These clusters were mass selected and investigated via Photoelectron Spectroscopy with anions in order to determine their electronic structure. In a cooperation with Puru Jena et al. at the Virginia Commonwealth University, electronic and geometric structures of the clusters were also calculated using Density Functional Theory. A group of clusters, specifically Al{sub 4}H{sub 4}, Al{sub 4}H{sub 6} and a series of clusters Al{sub n}H{sub n+2} (5 {<=} n {<=} 8) showed large HOMO-LUMO-Gaps and relatively small adiabatic electron affinities, hinting towards an increased stability of these clusters. The resemblance of the structures of already known and stable Boranes (BnHm) led to investigations whether ''Wade's Rules'' could also be applied to the new Alanes Al{sub n}H{sub m}. Comparison of the experimentally found values for the HOMO-LUMO-Gap, Adiabatic electron Affinity and Vertical Detachment Energy with the calculated values led to geometric structures of the ground states that, in case of the clusters Al{sub n}H{sub n+2} (5 {<=} n {<=} 8) follow Wade's (n+1) rule: They adopt hollow, cage-like closo-structures with one terminal Hydrogen atom per Aluminum atom and two additional Hydrogen atoms on bridge-sites. The clusters Al{sub 4}H{sub 4} and Al{sub 4}H{sub 6} have tetrahedron-shaped structures. While Al{sub 4}H{sub 4} is a perfect tetrahedron, Al{sub 4}H{sub 6} adopts a slightly distorted tetrahedral geometry with D{sub 2d} symmetry and two Hydrogen atoms on bridge sites. Furthermore, Al{sub 4}H{sub 6} showed the biggest HOMO-LUMO-Gap of all investigated clusters with a value of 1.9 {+-} 0.1 eV. These findings seem to contradict Wade's (n+1) rule, but can be understood in terms of the Polyhedral Skeletal Electron Pair Theory (PSEPT). The molecular orbitals predicted by the PSEPT

  14. Process for recycling waste aluminum with generation of high-pressure hydrogen.

    Science.gov (United States)

    Hiraki, Takehito; Yamauchi, Satoru; Iida, Masayasu; Uesugi, Hiroshi; Akiyama, Tomohiro

    2007-06-15

    An innovative environmently friendly hydrolysis process for recycling waste aluminum with the generation of high-pressure hydrogen has been proposed and experimentally validated. The effect of the concentration of sodium hydroxide solution on hydrogen generation rate was the main focus of the study. In the experiments, distilled water and aluminum powder were placed in the pressure-resistance reactor made of Hastelloy, and was compressed to a desired constant water pressure using a liquid pump. The sodium hydroxide solution was supplied by liquid pump with different concentrations (from 1.0 to 5.0 mol/dm3) at a constant flow rate into the reactor by replacing the distilled water, and the rate of hydrogen generated was measured simultaneously. The liquid temperature in the reactor increased due to the exothermic reaction given by Al + OH(-) + 3H2O = 1.5H2 + Al(OH)4(-) + 415.6 kJ. Therefore, a high-pressure hydrogen was generated at room temperature by mixing waste aluminum and sodium hydroxide solution. As the hydrogen compressor used in this process consumes less energy than the conventional one, the generation of hydrogen having a pressure of almost 30 MPa was experimentally validated together with Al(OH)3, a useful byproduct.

  15. Determination of hydrogen cluster velocities and comparison with numerical calculations

    International Nuclear Information System (INIS)

    Täschner, A.; Köhler, E.; Ortjohann, H.-W.; Khoukaz, A.

    2013-01-01

    The use of powerful hydrogen cluster jet targets in storage ring experiments led to the need of precise data on the mean cluster velocity as function of the stagnation temperature and pressure for the determination of the volume density of the target beams. For this purpose a large data set of hydrogen cluster velocity distributions and mean velocities was measured at a high density hydrogen cluster jet target using a trumpet shaped nozzle. The measurements have been performed at pressures above and below the critical pressure and for a broad range of temperatures relevant for target operation, e.g., at storage ring experiments. The used experimental method is described which allows for the velocity measurement of single clusters using a time-of-flight technique. Since this method is rather time-consuming and these measurements are typically interfering negatively with storage ring experiments, a method for a precise calculation of these mean velocities was needed. For this, the determined mean cluster velocities are compared with model calculations based on an isentropic one-dimensional van der Waals gas. Based on the obtained data and the presented numerical calculations, a new method has been developed which allows to predict the mean cluster velocities with an accuracy of about 5%. For this two cut-off parameters defining positions inside the nozzle are introduced, which can be determined for a given nozzle by only two velocity measurements

  16. Complex rare-earth aluminum hydrides: mechanochemical preparation, crystal structure and potential for hydrogen storage.

    Science.gov (United States)

    Weidenthaler, Claudia; Pommerin, André; Felderhoff, Michael; Sun, Wenhao; Wolverton, Christopher; Bogdanović, Borislav; Schüth, Ferdi

    2009-11-25

    A novel type of complex rare-earth aluminum hydride was prepared by mechanochemical preparation. The crystal structure of the REAlH(6) (with RE = La, Ce, Pr, Nd) compounds was calculated by DFT methods and confirmed by preliminary structure refinements. The trigonal crystal structure consists of isolated [AlH(6)](3-) octahedra bridged via [12] coordinated RE cations. The investigation of the rare-earth aluminum hydrides during thermolysis shows a decrease of thermal stability with increasing atomic number of the RE element. Rare-earth hydrides (REH(x)) are formed as primary dehydrogenation products; the final products are RE-aluminum alloys. The calculated decomposition enthalpies of the rare-earth aluminum hydrides are at the lower end for reversible hydrogenation under moderate conditions. Even though these materials may require somewhat higher pressures and/or lower temperatures for rehydrogenation, they are interesting examples of low-temperature metal hydrides for which reversibility might be reached.

  17. Economic diversification in Sarnia-Lambton: building a hydrogen cluster

    International Nuclear Information System (INIS)

    Bugyra, W.J.; Martin, D.R.; Kinsella, J.

    2006-01-01

    Sarnia-Lambton Economic Partnership has embarked upon a novel path toward building a hydrogen cluster. Without an indigenous 'technology' star, the foundation for the cluster is the petrochemical industry and the broad spectrum of local enterprises and institutions that supply it. Hydrogen is both a by-product and feedstock for different applications in the region, resulting in the development of a large pipeline network to connect waste gas to consumers. The local capabilities developed to process, deliver and maintain this system have helped to attract new industries that require hydrogen to the area. The same capabilities are now being leveraged from chemical applications to energy applications for hydrogen. The H 2 D Project will assemble the largest fleet of hydrogen fuelled 'appliances' in North America, with 200 devices including on and off-road vehicles, and portable and stationary hydrogen applications utilizing a wide array of technologies. H 2 D is a community driven project that leverages and supports educational programs at Lambton College and the University of Western Ontario (key elements of a thriving industrial cluster), sophisticated local safety services, and support from local, provincial and federal governments, to provide a testing ground for technology providers and local suppliers in an environment with a 'gas' savvy population and supporting infrastructure. (author)

  18. Characterization of micron-size hydrogen clusters using Mie scattering.

    Science.gov (United States)

    Jinno, S; Tanaka, H; Matsui, R; Kanasaki, M; Sakaki, H; Kando, M; Kondo, K; Sugiyama, A; Uesaka, M; Kishimoto, Y; Fukuda, Y

    2017-08-07

    Hydrogen clusters with diameters of a few micrometer range, composed of 10 8-10 hydrogen molecules, have been produced for the first time in an expansion of supercooled, high-pressure hydrogen gas into a vacuum through a conical nozzle connected to a cryogenic pulsed solenoid valve. The size distribution of the clusters has been evaluated by measuring the angular distribution of laser light scattered from the clusters. The data were analyzed based on the Mie scattering theory combined with the Tikhonov regularization method including the instrumental functions, the validity of which was assessed by performing a calibration study using a reference target consisting of standard micro-particles with two different sizes. The size distribution of the clusters was found discrete peaked at 0.33 ± 0.03, 0.65 ± 0.05, 0.81 ± 0.06, 1.40 ± 0.06 and 2.00 ± 0.13 µm in diameter. The highly reproducible and impurity-free nature of the micron-size hydrogen clusters can be a promising target for laser-driven multi-MeV proton sources with the currently available high power lasers.

  19. ALUMINUM HYDRIDE: A REVERSIBLE STORAGE MATERIAL FOR HYDROGEN STORAGE

    Energy Technology Data Exchange (ETDEWEB)

    Zidan, R; Christopher Fewox, C; Brenda Garcia-Diaz, B; Joshua Gray, J

    2009-01-09

    One of the challenges of implementing the hydrogen economy is finding a suitable solid H{sub 2} storage material. Aluminium (alane, AlH{sub 3}) hydride has been examined as a potential hydrogen storage material because of its high weight capacity, low discharge temperature, and volumetric density. Recycling the dehydride material has however precluded AlH{sub 3} from being implemented due to the large pressures required (>10{sup 5} bar H{sub 2} at 25 C) and the thermodynamic expense of chemical synthesis. A reversible cycle to form alane electrochemically using NaAlH{sub 4} in THF been successfully demonstrated. Alane is isolated as the triethylamine (TEA) adduct and converted to unsolvated alane by heating under vacuum. To complete the cycle, the starting alanate can be regenerated by direct hydrogenation of the dehydrided alane and the alkali hydride (NaH) This novel reversible cycle opens the door for alane to fuel the hydrogen economy.

  20. ALUMINUM HYDRIDE: A REVERSIBLE MATERIAL FOR HYDROGEN STORAGE

    Energy Technology Data Exchange (ETDEWEB)

    Zidan, R; Christopher Fewox, C; Brenda Garcia-Diaz, B; Joshua Gray, J

    2009-01-09

    Hydrogen storage is one of the challenges to be overcome for implementing the ever sought hydrogen economy. Here we report a novel cycle to reversibly form high density hydrogen storage materials such as aluminium hydride. Aluminium hydride (AlH{sub 3}, alane) has a hydrogen storage capacity of 10.1 wt% H{sub 2}, 149 kg H{sub 2}/m{sup 3} volumetric density and can be discharged at low temperatures (< 100 C). However, alane has been precluded from use in hydrogen storage systems because of the lack of practical regeneration methods. The direct hydrogenation of aluminium to form AlH{sub 3} requires over 10{sup 5} bars of hydrogen pressure at room temperature and there are no cost effective synthetic means. Here we show an unprecedented reversible cycle to form alane electrochemically, using alkali metal alanates (e.g. NaAlH{sub 4}, LiAlH{sub 4}) in aprotic solvents. To complete the cycle, the starting alanates can be regenerated by direct hydrogenation of the dehydrided alane and the alkali hydride being the other compound formed in the electrochemical cell. The process of forming NaAlH{sub 4} from NaH and Al is well established in both solid state and solution reactions. The use of adducting Lewis bases is an essential part of this cycle, in the isolation of alane from the mixtures of the electrochemical cell. Alane is isolated as the triethylamine (TEA) adduct and converted to pure, unsolvated alane by heating under vacuum.

  1. ALUMINUM HYDRIDE: A REVERSIBLE MATERIAL FOR HYDROGEN STORAGE

    Energy Technology Data Exchange (ETDEWEB)

    Fewox, C; Ragaiy Zidan, R; Brenda Garcia-Diaz, B

    2008-12-31

    Hydrogen storage is one of the greatest challenges for implementing the ever sought hydrogen economy. Here we report a novel cycle to reversibly form high density hydrogen storage materials such as aluminium hydride. Aluminium hydride (AlH{sub 3}, alane) has a hydrogen storage capacity of 10.1 wt% H{sub 2}, 149 kg H{sub 2}/m{sup 3} volumetric density and can be discharged at low temperatures (< 100 C). However, alane has been precluded from use in hydrogen storage systems because of the lack of practical regeneration methods; the direct hydrogenation of aluminium to form AlH{sub 3} requires over 10{sup 5} bars of hydrogen pressure at room temperature and there are no cost effective synthetic means. Here we show an unprecedented reversible cycle to form alane electrochemically, using alkali alanates (e.g. NaAlH{sub 4}, LiAlH{sub 4}) in aprotic solvents. To complete the cycle, the starting alanates can be regenerated by direct hydrogenation of the dehydrided alane and the alkali hydride being the other compound formed in the electrochemical cell. The process of forming NaAlH{sub 4} from NaH and Al is well established in both solid state and solution reactions. The use of adducting Lewis bases is an essential part of this cycle, in the isolation of alane from the mixtures of the electrochemical cell. Alane is isolated as the triethylamine (TEA) adduct and converted to pure, unsolvated alane by heating under vacuum.

  2. Technology for gelled liquid cryogenic propellants - Metallized hydrogen/aluminum

    Science.gov (United States)

    Starkovich, John; Palaszewski, Bryan

    1993-01-01

    The theoretical basis for solid-loaded or densified liquid hydrogen propellants for advanced space applications is outlined. Metallized propellants make it possible to increase the safety of propulsion systems as well as the payloads of future vehicles. Nanogellant formulated liquid hydrogen gels and other fuel gels are characterized by excellent settling stability, low yield point, and a high shear thinning index which makes them attractive for propulsion applications.

  3. Reactivity and Catalytic Activity of Hydrogen Atom Chemisorbed Silver Clusters.

    Science.gov (United States)

    Manzoor, Dar; Pal, Sourav

    2015-06-18

    Metal clusters of silver have attracted recent interest of researchers as a result of their potential in different catalytic applications and low cost. However, due to the completely filled d orbital and very high first ionization potential of the silver atom, the silver-based catalysts interact very weakly with the reacting molecules. In the current work, density functional theory calculations were carried out to investigate the effect of hydrogen atom chemisorption on the reactivity and catalytic properties of inert silver clusters. Our results affirm that the hydrogen atom chemisorption leads to enhancement in the binding energy of the adsorbed O2 molecule on the inert silver clusters. The increase in the binding energy is also characterized by the decrease in the Ag-O and increase in the O-O bond lengths in the case of the AgnH silver clusters. Pertinent to the increase in the O-O bond length, a significant red shift in the O-O stretching frequency is also noted in the case of the AgnH silver clusters. Moreover, the hydrogen atom chemisorbed silver clusters show low reaction barriers and high heat of formation of the final products for the environmentally important CO oxidation reaction as compared to the parent catalytically inactive clusters. The obtained results were compared with those of the corresponding gold and hydrogen atom chemisorbed gold clusters obtained at the same level of theory. It is expected the current computational study will provide key insights for future advances in the design of efficient nanosilver-based catalysts through the adsorption of a small atom or a ligand.

  4. Two step novel hydrogen system using additives to enhance hydrogen release from the hydrolysis of alane and activated aluminum

    Science.gov (United States)

    Zidan, Ragaiy; Teprovich, Joseph A.; Motyka, Theodore

    2015-12-01

    A system for the generation of hydrogen for use in portable power systems is set forth utilizing a two-step process that involves the thermal decomposition of AlH.sub.3 (10 wt % H.sub.2) followed by the hydrolysis of the activated aluminum (Al*) byproduct to release additional H.sub.2. Additionally, a process in which water is added directly without prior history to the AlH.sub.3:PA composite is also disclosed.

  5. Hydrogen Promoted Oxygen Activation by Free Gold Cluster Cations

    Science.gov (United States)

    Barnett, Robert N.; Yoon, Bokwon; Landman, Uzi; Lang, Sandra M.; Bernhardt, Thorsten M.

    2009-03-01

    In this contribution we present experiments and first-principles density functional theory calculations on gas-phase reaction of small gold clusters, aiming at elucidation of the role of hydrogen in the activation of molecular oxygen for the selective oxidation of hydrocarbons. Positively charged gold clusters. Au4^+ and Au6^+. were chosen because electronic factors and experimental data suggest them to be most suitable for promoting the oxidation of unsaturated hydrocarbons. Our investigations show that, although small gas phase gold cluster cations are inert toward molecular oxygen, the pre-adsorption of molecular hydrogen cooperatively activates the adsorption of O2 on Au4^+ and Au6^+. Temperature and reaction time dependent investigations in an octopole ion trap under multi-collision conditions reveal that hydrogen promotes the activation and dissociation of molecular oxygen on the gold clusters at temperatures as low as 200 K. The detailed mechanism of the hydrogen induced oxygen activation, involving an intermediate hydro-peroxy-complex is revealed by the DFT calculations.

  6. Improved Density Functional Tight Binding Potentials for Metalloid Aluminum Clusters

    Science.gov (United States)

    2016-06-01

    approach, using solution chemistry methods to grow small metal clusters with a single monolayer of organic ligand on their surface. These may offer the...These liquids are then used for solution growth of larger clusters, which includes a ligand exchange process with, most commonly, cyclopentadienyl...derived in DFT. For the many body problem of a system consisting of nuclei and electrons, the total energy can be written as [3]: ext ee IIE T E

  7. Poly(pyrazolyl)aluminate complexes containing aluminum-hydrogen bonds.

    Science.gov (United States)

    Snyder, Christopher J; Heeg, Mary Jane; Winter, Charles H

    2011-10-03

    The treatment of LiAlH(4) with 2, 3, or 4 equiv of the 3,5-disubstituted pyrazoles Ph(2)pzH or iPr(2)pzH afforded [Li(THF)(2)][AlH(2)(Ph(2)pz)(2)] (97%), [Li(THF)][AlH(Ph(2)pz)(3)] (96%), [Li(THF)(4)][Al(Ph(2)pz)(4)] (95%), and [Li(THF)][AlH(iPr(2)pz)(3)] (89%). The treatment of ZnCl(2) with [Li(THF)][AlH(Ph(2)pz)(3)] afforded Zn(AlH(Ph(2)Pz)(3))H (70%). X-ray crystal structures of these complexes demonstrated κ(2) or κ(3) coordination of the aluminum-based ligands to the Li or Zn ions. The treatment of [Li(THF)][AlH(Ph(2)pz)(3)] with MgBr(2) or CoCl(2) in THF/Et(2)O solutions, by contrast, afforded the pyrazolate transfer products Mg(2)Br(2)(Ph(2)pz)(2)(THF)(3)·2THF (25%) and Co(2)Cl(2)(Ph(2)pz)(2)(THF)(3)·THF (23%) as colorless and blue crystalline solids, respectively. An analogous treatment of [Li(THF)][AlH(Ph(2)pz)(3)] with MCl(2) (M = Mn, Fe, Ni, Cu) afforded metal powders and H(2), illustrating hydride transfer from Al to M as a competing reaction path.

  8. Model study in chemisorption: atomic hydrogen on beryllium clusters

    International Nuclear Information System (INIS)

    Bauschlicher, C.W. Jr.

    1976-08-01

    The interaction between atomic hydrogen and the (0001) surface of Be metal has been studied by ab initio electronic structure theory. Self-consistent-field (SCF) calculations have been performed using minimum, optimized minimum, double zeta and mixed basis sets for clusters as large as 22 Be atoms. The binding energy and equilibrium geometry (the distance to the surface) were determined for 4 sites. Both spatially restricted (the wavefunction was constrained to transform as one of the irreducible representations of the molecular point group) and unrestricted SCF calculations were performed. Using only the optimized minimum basis set, clusters containing as many as 22 beryllium atoms have been investigated. From a variety of considerations, this cluster is seen to be nearly converged within the model used, providing the most reliable results for chemisorption. The site dependence of the frequency is shown to be a geometrical effect depending on the number and angle of the bonds. The diffusion of atomic hydrogen through a perfect beryllium crystal is predicted to be energetically unfavorable. The cohesive energy, the ionization energy and the singlet-triplet separation were computed for the clusters without hydrogen. These quantities can be seen as a measure of the total amount of edge effects. The chemisorptive properties are not related to the total amount of edge effects, but rather the edge effects felt by the adsorbate bonding berylliums. This lack of correlation with the total edge effects illustrates the local nature of the bonding, further strengthening the cluster model for chemisorption. A detailed discussion of the bonding and electronic structure is included. The remaining edge effects for the Be 22 cluster are discussed

  9. Chemical Hydrogen Storage Using Polyhedral Borane Anions and Aluminum-Ammonia-Borane Complexes

    Energy Technology Data Exchange (ETDEWEB)

    Hawthorne, M. Frederick; Jalisatgi, Satish S.; Safronov, Alexander V.; Lee, Han Beak; Wu, Jianguo

    2010-10-01

    Phase 1. Hydrolysis of borohydride compounds offer the potential for significant hydrogen storage capacity, but most work to date has focused on one particular anion, BH4-, which requires high pH for stability. Other borohydride compounds, in particular polyhedral borane anions offer comparable hydrogen storage capacity without requiring high pH media and their long term thermal and hydrolytic stability coupled with non-toxic nature make them a very attractive alternative to NaBH4. The University of Missouri project provided the overall program focal point for the investigation of catalytic hydrolysis of polyhedral borane anions for hydrogen release. Due to their inherent stability, a transition metal catalyst was necessary for the hydrolysis of polyhedral borane anions. Transition metal ions such as cobalt, nickel, palladium and rhodium were investigated for their catalytic activity in the hydrolysis of nido-KB11H14, closo-K2B10H10, and closo-K2B12H12. The rate of hydrolysis follows first-order kinetics with respect to the concentration of the polyhedral borane anion and surface area of the rhodium catalyst. The rate of hydrolysis depends upon a) choice of polyhedral borane anion, c) concentration of polyhedral borane anion, d) surface area of the rhodium catalyst and e) temperature of the reaction. In all cases the yield of hydrogen was 100% which corresponds to ~7 wt% of hydrogen (based on material wt%). Phase 2. The phase 2 of program at the University of Missouri was focused upon developing aluminum ammonia-boranes (Al-AB) as chemical hydrogen storage materials, specifically their synthesis and studies of their dehydrogenation. The ammonia borane molecule (AB) is a demonstrated source of chemically stored hydrogen (19.6 wt%) which meets DOE performance parameters except for its regeneration from spent AB and elemental hydrogen. The presence of an aluminum center bonded to multiple AB residues might combine the efficiency of AB dehydrogenation with an aluminum

  10. Production of negative hydrogen ions from accelerated cluster ions

    International Nuclear Information System (INIS)

    Becker, E.W.; Falter, H.D.; Hagena, O.F.; Henkes, W.; Klingelhoefer, R.; Moser, H.O.; Obert, W.; Poth, I.

    1976-11-01

    Cluster ion acceleration is a method particularly well suited to produce neutral beams of high particle current density at energies of the order of 1 keV/atom. Since this is the energy required for converting hydrogen atoms or molecules into negative ions in a cesium vapour cell, it is proposed to use cluster ions for the production of negative ion beams of high current density. The system is envisaged as a tandem accelerator with a terminal voltage of 1 MV. (orig.) [de

  11. Nickel-aluminum alloy clusters -- structural and dynamical properties

    Energy Technology Data Exchange (ETDEWEB)

    Jellinek, J.; Krissinel, E.B. [Argonne National Lab., IL (United States). Chemistry Div.

    1997-08-01

    Structural and dynamical properties of mixed Ni{sub n}Al{sub m} alloy clusters mimicked by a many-body potential are studied computationally for all the possible compositions n and m such that n + m = 13. It is shown that the manifold of the usually very large number of the different possible structural forms can be systematized by introducing classes of structures corresponding to the same concentration of the components, geometry and type of the central atom. General definitions of mixing energy and mixing coefficient are introduced, and it is shown that the energy ordering of the structural forms within each class is governed by the mixing coefficient. The peculiarities of the solid-to-liquid-like transition are described as a function of the concentration of the two types of atoms. These peculiarities are correlated with and explained in terms of the energy spectra of the structural forms. Class-dependent features of the dynamics are described and analyzed.

  12. Aluminum-doped hydrogenated microcrystalline cubic silicon carbide films deposited by hot wire CVD

    International Nuclear Information System (INIS)

    Miyajima, Shinsuke; Yamada, Akira; Konagai, Makoto

    2006-01-01

    Aluminum-doped hydrogenated microcrystalline cubic silicon carbide (Al-doped μc-3C-SiC:H) films were successfully deposited by hot wire chemical vapor deposition using a gas mixture of monomethylsilane, hydrogen and trimethylaluminum (TMA). Deposition rate and infrared absorption measurements indicate that radicals generated from TMA extract hydrogen atoms from the growing surface of the films. Infrared absorption and secondary ion mass spectroscopy measurements suggest the existence of Al-H complexes in the deposited film. The dark conductivity was found to be below 10 - 7 S/cm for as-deposited films and 10 - 6 -10 - 4 S/cm for annealed films. Our studies indicate the possibility of forming p-type μc-3C-SiC:H films on glass substrates at process temperature below 400 deg. C

  13. Hydrogen gas generation from metal aluminum-water interaction in municipal solid waste incineration (MSWI) bottom ash.

    Science.gov (United States)

    Nithiya, Arumugam; Saffarzadeh, Amirhomayoun; Shimaoka, Takayuki

    2018-03-01

    In the present research, municipal solid waste incineration (MSWI) bottom ash (BA) residues from three incinerators (N, K, and R) in Japan were collected for hydrogen gas generation purpose. The samples were split into four particle size fractions: (1) d≤0.6, (2) 0.6≤d≤1.0, (3) 1.0≤d≤2.0, and (4) 2.0≤d≤4.75mm for the characterization of metal aluminum, the relationship between the present metal aluminum and hydrogen gas production, and the influence of external metal aluminum on the enhancement of hydrogen gas. The batch experiments were performed for each BA fraction under agitated (200rpm) and non-agitated conditions at 40°C for 20days. The highest amount of hydrogen gas (cumulative) was collected under agitation condition that was 39.4, 10.0, and 8.4 L/kg of dry ash for N2, R2, and K2 (all fraction 2), respectively. To take the benefit of the BA high alkalinity (with initial pH over 12), 0.1 and 1g of household aluminum foil were added to the fractions 2 and 3. A Significantly larger amount of hydrogen gas was collected from each test. For 0.1g of aluminum foil, the cumulative amount of gas was in the range of 62 to 78 L/kg of dry ash and for 1g of aluminum foil the cumulative amount of hydrogen was in the range of 119-126 L/kg of dry ash. This indicated that the hydrogen gas yield was significantly a function of supplementary aluminum and the intrinsic alkaline environment of the BA residues rather than ash source or particle size. Copyright © 2017 Elsevier Ltd. All rights reserved.

  14. Hydra Observations of Aluminum Abundances in the Red Giants of the Globular Clusters M80 and NGC 6752

    OpenAIRE

    Cavallo, Robert M.; Suntzeff, Nicholas B.; Pilachowski, Catherine A.

    2004-01-01

    Aluminum and other metal abundances were determined in 21 red giants in the globular clusters NGC 6752 and M80 as part of a larger study to determine whether the aluminum distribution on the red giant branch is related to the second parameter effect that causes clusters of similar metallicity to display different horizontal branch morphologies. The observations were obtained of the Al I lines near 6700 Angstroms with the CTIO Blanco 4-m telescope and Hydra multi-object spectrograph. The spect...

  15. Low Temperature Curing of Hydrogen Silsesquioxane Surface Coatings for Corrosion Protection of Aluminum

    DEFF Research Database (Denmark)

    Lampert, Felix; Jensen, Annemette Hindhede; Møller, Per

    2016-01-01

    Hydrogen Silsesquioxane (HSQ) has shown to be a promising precursor for corrosion protective glass coatings for metallic substrates due to the excellent barrier properties of the films, especially in the application of protective coatings for aluminum in the automotive industry where high chemical...... stability in alkaline environments is required. The coatings have been successfully applied to stainless steel substrates. However the traditional thermal curing of HSQ involves heating to elevated temperatures, which are beyond those applicable for most industrial applications of aluminum. In this study...... low temperature processes are tested and evaluated as possible alternatives to the traditional high temperature cure. Thin HSQ films are deposited onsilicon wafers to model the degree of curing induced by the low temperature methods in comparison to thermal curing.Furthermore, the coatings are applied...

  16. Path integral molecular dynamics simulation of solid para-hydrogen with an aluminum impurity

    Science.gov (United States)

    Mirijanian, Dina T.; Alexander, Millard H.; Voth, Gregory A.

    2002-11-01

    The equilibrium properties of an aluminum impurity trapped in solid para-hydrogen have been studied. The results were compared to those of a previous study by Krumrine et al. [J. Chem. Phys. 113 (2000) 9079] with an atomic boron. In the presence of vacancy defect, when the orientation-dependent Al- pH 2 potential is used, the Al atom is displaced to a position half way between its original substituted site and the vacancy site. Thermodynamic results also indicate that the presence of a neighboring vacancy helps to stabilize the Al impurity to a far greater extent than in the case of the B impurity.

  17. Interaction between an icosahedron Li(13) cluster and a graphene layer doped with a hydrogen atom.

    Science.gov (United States)

    Rangel, Eduardo; Vázquez, Gerardo; Magaña, Fernando; Sansores, Enrique

    2012-12-01

    It is known that graphene reacts with atomic hydrogen to form a hydrogenated sheet of graphene. In order to understand the nature of the interaction between hydrogen and lithium in hydrogenated samples, we have carried out first principle calculations. Density functional theory and molecular dynamics were used to study the interaction between an icosahedron Li(13) cluster, and a graphene layer doped with a hydrogen atom. It was found that a hydrogen atom is levitated from the graphene layer and absorbed into the cluster of Li at 300 K and atmospheric pressure, with a binding energy far exceeding that of the adsorption energy of a hydrogen atom on the graphene layer.

  18. Low oxidation state aluminum-containing cluster anions: LAlH-and LAln-(n = 2-4, L = N[Si(Me)3]2).

    Science.gov (United States)

    Zhang, Xinxing; Wang, Linjie; Montone, Georgia R; Gill, Ann F; Ganteför, Gerd; Eichhorn, Bryan; Kandalam, Anil K; Bowen, Kit H

    2017-06-14

    Several low oxidation state aluminum-containing cluster anions, LAlH - and LAl n - (n = 2-4, L = N[Si(Me) 3 ] 2 ), were produced via reactions between aluminum hydride cluster anions, Al x H y - , and hexamethyldisilazane (HMDS). These clusters were characterized by mass spectrometry, anion photoelectron spectroscopy, and density functional theory (DFT) based calculations. Agreement between the experimental and theoretical vertical detachment energies (VDEs) and adiabatic detachment energies (ADEs) validated the computed geometrical structures. Reactions between aluminum hydride cluster anions and ligands promise to be a new synthetic scheme for low oxidation state, ligated aluminum clusters.

  19. Hydrogenation of Levulinic Acid over Nickel Catalysts Supported on Aluminum Oxide to Prepare γ-Valerolactone

    Directory of Open Access Journals (Sweden)

    Jie Fu

    2015-12-01

    Full Text Available Four types of nickel catalysts supported on aluminum oxide (Ni/Al2O3 with different nickel loadings were synthesized using the co-precipitation method and were used for the hydrogenation of levulinic acid (LA to prepare γ-valerolactone (GVL. The synthesized Ni/Al2O3 catalysts exhibited excellent catalytic activity in dioxane, and the activity of the catalysts was excellent even after being used four times in dioxane. The catalytic activity in dioxane as a solvent was found to be superior to the activity in water. Nitrogen physisorption, X-ray diffraction, and transmission electron microscopy were employed to characterize the fresh and used catalysts. The effects of the nickel loading, temperature, hydrogen pressure, and substrate/catalyst ratio on the catalytic activity were investigated.

  20. Microwave irradiation effects on reversible hydrogen desorption in sodium aluminum hydrides (NaAlH4)

    International Nuclear Information System (INIS)

    Krishnan, Rahul; Agrawal, Dinesh; Dobbins, Tabbetha

    2009-01-01

    The effect of microwave irradiation on the reversible desorption reaction in sodium aluminum hydride (NaAlH 4 ) is explored. NaAlH 4 is doped with 2 mol% TiCl 2 and pre-activated by high energy ball milling and aging to show the presence of metallic aluminum phase. As a catalyst, Ti 2+ has been used to improve desorption kinetics in sodium alanate. X-ray diffraction was performed on the samples exposed to microwave irradiation for 10, 20, 30, 40 and 50 min. Results show that when the powders show the presence of aluminum, a steady increase in the formation of the hexahydride (Na 3 AlH 6 ) phase and Al occurs during microwave irradiation; and is accompanied by a steady reduction in the NaAlH 4 phase XRD peak (h k l) intensities. This data suggests that microwave irradiation drives the reversible H 2 desorption reaction in NaAlH 4 . NaAlH 4 doped with 2 mol% TiCl 2 which does not show the presence of Al phase, undergoes a reduction in NaAlH 4 peak intensities with increasing microwave exposure (and no reversible product phases are detected in this case). Dielectric studies on NaAlH 4 indicate that microwave penetration is low. Therefore, it is proposed that microwave irradiation heating of the Al particulate phase is responsible for the hydrogen desorption reaction pathway which is similar to that of conventional heating

  1. Orientationally ordered ridge structures of aluminum films on hydrogen terminated silicon

    DEFF Research Database (Denmark)

    Quaade, Ulrich; Pantleon, Karen

    2006-01-01

    Films of aluminum deposited onto Si(100) substrates show a surface structure of parallel ridges. On films deposited on oxidized silicon substrates the direction of the ridges is arbitrary, but on films deposited on hydrogen-terminated Si(100) the ridges are oriented parallel to the < 110 > direct......Films of aluminum deposited onto Si(100) substrates show a surface structure of parallel ridges. On films deposited on oxidized silicon substrates the direction of the ridges is arbitrary, but on films deposited on hydrogen-terminated Si(100) the ridges are oriented parallel to the ... > directions on the silicon substrate. The ridge structure appears when the film thickness is above 500 nm, and increasing the film thickness makes the structure more distinct. Anodic oxidation enhances the structure even further. X-ray diffraction indicates that grains in the film have mostly (110) facets...... parallel to the surface, and that the crystallographic texture consists of two components. It is discussed, that the orientational ordering of the grains and ridge structure may be induced by the anisotropic elastic properties of the Si(100) surface or by epitaxial effects. (c) 2006 Elsevier B.V. All...

  2. Modeling the Effect of Finite-Rate Hydrogen Diffusion on Porosity Formation in Aluminum Alloys

    Science.gov (United States)

    Carlson, Kent D.; Lin, Zhiping; Beckermann, Christoph

    2007-08-01

    A volume-averaged model for finite-rate diffusion of hydrogen in the melt is developed to predict pore formation during the solidification of aluminum alloys. The calculation of the micro-/macro-scale gas species transport in the melt is coupled with a model for the feeding flow and pressure field. The rate of pore growth is shown to be proportional to the local level of gas supersaturation in the melt, as well as various microstructural parameters. Parametric studies of one-dimensional solidification under an imposed temperature gradient and cooling rate illustrate that the model captures important phenomena observed in porosity formation in aluminum alloys. The transition from gas to shrinkage dominated porosity and the effects of different solubilities of hydrogen in the eutectic solid, capillary pressures at pore nucleation, and pore number densities are investigated in detail. Comparisons between predicted porosity percentages and previous experimental measurements show good correspondence, although some uncertainties remain regarding the extent of impingement of solid on the pores.

  3. Next Generation Energetic Materials: New Cluster Hydrides and Metastable Alloys of Aluminum in Very Low Oxidation States

    Science.gov (United States)

    2016-10-01

    aluminum clusters, energetic materials, cluster compounds, low oxidation Unclassified Unclassified Unclassified SAR 38 Allen Dalton 703...dialumane supported by pyrazolate ligands”, Snyder, C. J.; Zavalij, P.; Bowen, K. H.; Schnöckel, H.; Eichhorn, B. W. Dalton Transactions. 44, 2956–2958...elementary steps, we additionally per- formed density functional theory calculations. The results show that for both even- and odd-numbered clusters the

  4. Hydrogenated carbon clusters produced by highly charged ion impact on solid C-84

    NARCIS (Netherlands)

    Schlatholter, T; Newman, MW; Niedermayr, TR; Machicoane, GA; McDonald, JW; Schenkel, T; Hoekstra, R; Hamza, AV

    2000-01-01

    The emission of small (hydrogenated) carbon cluster ions: CnHm+ (n = 2-22) upon highly charged Xeq+ (q = 20- 14) impact on C-84 surfaces is studied by means of time-of-flight secundary ion mass spectrometry. The respective stage of hydrogenation/protonation of a certain carbon cluster ion C-n(+) is

  5. Asymmetric partitioning of metals among cluster anions and cations generated via laser ablation of mixed aluminum/Group 6 transition metal targets.

    Science.gov (United States)

    Waller, Sarah E; Mann, Jennifer E; Jarrold, Caroline Chick

    2013-02-28

    While high-power laser ablation of metal alloys indiscriminately produces gas-phase atomic ions in proportion to the abundance of the various metals in the alloy, gas-phase ions produced by moderate-power laser ablation sources coupled with molecular beams are formed by more complicated mechanisms. A mass spectrometric study that directly compares the mass distributions of cluster anions and cations generated from laser ablation of pure aluminum, an aluminum/molybdenum mixed target, and an aluminum/tungsten mixed target is detailed. Mass spectra of anionic species generated from the mixed targets showed that both tungsten and molybdenum were in higher abundance in the negatively charged species than in the target material. Mass spectra of the cationic species showed primarily Al(+) and aluminum oxide and hydroxide cluster cations. No molybdenum- or tungsten-containing cluster cations were definitively assigned. The asymmetric distribution of aluminum and Group 6 transition metals in cation and anion cluster composition is attributed to the low ionization energy of atomic aluminum and aluminum suboxide clusters. In addition, the propensity of both molybdenum and tungsten to form metal oxide cluster anions under the same conditions that favor metallic aluminum cluster anions is attributed to differences in the optical properties of the surface oxide that is present in the metal powders used to prepare the ablation targets. Mechanisms of mixed metal oxide clusters are considered.

  6. Numerical Simulation of Tensile Behavior of Corroded Aluminum Alloy 2024 T3 Considering the Hydrogen Embrittlement

    Directory of Open Access Journals (Sweden)

    Marina C. Vasco

    2018-01-01

    Full Text Available A multi-scale modeling approach for simulating the tensile behavior of the corroded aluminum alloy 2024 T3 was developed, accounting for both the geometrical features of corrosion damage and the effect of corrosion-induced hydrogen embrittlement (HE. The approach combines two Finite Element (FE models: a model of a three-dimensional Representative Unit Cell (RUC, representing an exfoliated area and its correspondent hydrogen embrittled zone (HEZ, and a model of the tensile specimen. The models lie at the micro- and macro-scales, respectively. The characteristics of the HEZ are determined from measurements of nanoindentation hardness, conducted on pre-corroded specimens. Using the model of the RUC, the local homogenized mechanical behavior of the corroded material is simulated. Then, the behavior of the exfoliated areas is assigned into different areas (elements of the tensile specimen and final analyses are performed to simulate the tensile behavior of the corroded material. The approach was applied to model specimens after 8, 16 and 24 h exposure periods of the Exfoliation Corrosion (EXCO test. For validation of the approach, tensile tests were used. The numerical results show that this approach is suitable for accurately simulating the tensile behavior of pre-corroded experimental specimens, accounting for both geometrical features of corrosion damage and corrosion-induced HE.

  7. Micron-size hydrogen cluster target for laser-driven proton acceleration

    Science.gov (United States)

    Jinno, S.; Kanasaki, M.; Uno, M.; Matsui, R.; Uesaka, M.; Kishimoto, Y.; Fukuda, Y.

    2018-04-01

    As a new laser-driven ion acceleration technique, we proposed a way to produce impurity-free, highly reproducible, and robust proton beams exceeding 100 MeV using a Coulomb explosion of micron-size hydrogen clusters. In this study, micron-size hydrogen clusters were generated by expanding the cooled high-pressure hydrogen gas into a vacuum via a conical nozzle connected to a solenoid valve cooled by a mechanical cryostat. The size distributions of the hydrogen clusters were evaluated by measuring the angular distribution of laser light scattered from the clusters. The data were analyzed mathematically based on the Mie scattering theory combined with the Tikhonov regularization method. The maximum size of the hydrogen cluster at 25 K and 6 MPa in the stagnation state was recognized to be 2.15 ± 0.10 μm. The mean cluster size decreased with increasing temperature, and was found to be much larger than that given by Hagena’s formula. This discrepancy suggests that the micron-size hydrogen clusters were formed by the atomization (spallation) of the liquid or supercritical fluid phase of hydrogen. In addition, the density profiles of the gas phase were evaluated for 25 to 80 K at 6 MPa using a Nomarski interferometer. Based on the measurement results and the equation of state for hydrogen, the cluster mass fraction was obtained. 3D particles-in-cell (PIC) simulations concerning the interaction processes of micron-size hydrogen clusters with high power laser pulses predicted the generation of protons exceeding 100 MeV and accelerating in a laser propagation direction via an anisotropic Coulomb explosion mechanism, thus demonstrating a future candidate in laser-driven proton sources for upcoming multi-petawatt lasers.

  8. Hydrogen-Mediated Nitrogen Clustering in Dilute III-V Nitrides

    Science.gov (United States)

    Du, Mao-Hua; Limpijumnong, Sukit; Zhang, S. B.

    2006-08-01

    First-principles calculation reveals multi-N clusters to be the ground states for hydrogenated N in dilute III-V nitrides. While hydrogenation of a single N, forming H2*(N), can relax the large strain induced by the size-mismatched N, formation of the clusters will relax the strain even more effectively. This suppresses the formation of H2*(N), the existence of which has recently been debated. More importantly, postgrowth dehydrogenation of the N-H clusters provides an explanation to the observed metastable bare N clusters in GaAsN grown by gas-source molecular beam epitaxy or metal-organic chemical vapor deposition.

  9. Unidirectional suppression of hydrogen oxidation on oxidized platinum clusters.

    Science.gov (United States)

    Li, Yu Hang; Xing, Jun; Chen, Zong Jia; Li, Zhen; Tian, Feng; Zheng, Li Rong; Wang, Hai Feng; Hu, P; Zhao, Hui Jun; Yang, Hua Gui

    2013-01-01

    Solar-driven water splitting to produce hydrogen may be an ideal solution for global energy and environment issues. Among the various photocatalytic systems, platinum has been widely used to co-catalyse the reduction of protons in water for hydrogen evolution. However, the undesirable hydrogen oxidation reaction can also be readily catalysed by metallic platinum, which limits the solar energy conversion efficiency in artificial photosynthesis. Here we report that the unidirectional suppression of hydrogen oxidation in photocatalytic water splitting can be fulfilled by controlling the valence state of platinum; this platinum-based cocatalyst in a higher oxidation state can act as an efficient hydrogen evolution site while suppressing the undesirable hydrogen back-oxidation. The findings in this work may pave the way for developing other high-efficientcy platinum-based catalysts for photocatalysis, photoelectrochemistry, fuel cells and water-gas shift reactions.

  10. The effect of surface oxide layer on the rate of hydrogen emission from aluminum and its alloys in a high vacuum

    Science.gov (United States)

    Makarova, V. I.; Zyabrev, A. A.

    1979-01-01

    The influence of surface oxide layers on the kinetics of hydrogen emission at the high vacuum of 10 to the minus 8th power torr was investigated at temperatures from 20 to 450 C using samples of pure AB00 aluminum and the cast alloy AMg. Cast and deformed samples of AMts alloy were used to study the effect of oxide film thickness on the rate of hydrogen emission. Thermodynamic calculations of the reactions of the generation and dissociation of aluminum oxide show that degasification at elevated temperatures (up to 600 C) and high vacuum will not reduce the thickness of artificially-generated surface oxide layers on aluminum and its alloys.

  11. Evaluation of mechanical property data on the 2219 aluminum alloy and application of the data to the design of liquid hydrogen tankage

    Science.gov (United States)

    Witzell, W. E.

    1977-01-01

    The potential use of thin guage 2219 aluminum alloy for airborne liquid hydrogen tankage was examined. Existing data were processed using the Newman two parameter equation, a prediction was made for the life expectancy of a hypothetical liquid hydrogen tank, and additional experimental data were generated in an attempt to correct the deficiencies in the existing data.

  12. Production of hydrogen in the reaction between aluminum and water in the presence of NaOH and KOH

    Directory of Open Access Journals (Sweden)

    C. B. Porciúncula

    2012-06-01

    Full Text Available The objective of this work is to investigate the production of hydrogen as an energy source by means of the reaction of aluminum with water. This reaction only occurs in the presence of NaOH and KOH, which behave as catalysts. The main advantages of using aluminum for indirect energy storage are: recyclability, non-toxicity and easiness to shape. Alkali concentrations varying from 1 to 3 mol.L-1 were applied to different metallic samples, either foil (0.02 mm thick or plates (0.5 and 1 mm thick, and reaction temperatures between 295 and 345 K were tested. The results show that the reaction is strongly influenced by temperature, alkali concentration and metal shape. NaOH commonly promotes faster reactions and higher real yields than KOH.

  13. Detection of hydrogen-copper clustering in Zn1- x CuxO compounds using neutron scattering methods

    Science.gov (United States)

    Trunov, V. A.; Sokolov, A. E.; Lebedev, V. T.; Smirnov, O. P.; Kurbakov, A. I.; van den Heuvel, J.; Batyrev, E.; Yurieva, T. M.; Plyasova, L. M.; Török, G.

    2006-07-01

    The atomic and cluster structure of hydrogen-treated Cu/ZnO (the major component of methanol synthesis catalysts) was studied using Bragg powder and small-angle neutron diffraction. Isotopic substitution of Cu and H was used to obtain reliable results indicating Cu and H clustering. The clusters form on the boundaries of ZnO particles and have a complex structure: a copper cluster surrounded by an adsorbed hydrogen shell has a hydrogen core. It can be assumed that this cluster configuration has a strong effect on the catalytic activity of these compounds.

  14. Hydrogen-mediated Nitrogen Clustering in Dilute III-V Nitrides

    Energy Technology Data Exchange (ETDEWEB)

    Du, M.-H.; Limpijumnong, S.; Zhang, S. B

    2006-01-01

    First-principles calculation reveals multi-N clusters to be the ground states for hydrogenated N in dilute III-V nitrides. While hydrogenation of a single N, forming H*{sub 2}(N), can relax the large strain induced by the size-mismatched N, formation of the clusters will relax the strain even more effectively. This suppresses the formation of H*{sub 2}(N), the existence of which has recently been debated. More importantly, postgrowth dehydrogenation of the N-H clusters provides an explanation to the observed metastable bare N clusters in GaAsN grown by gas-source molecular beam epitaxy or metal-organic chemical vapor deposition.

  15. Pickup and Photodissociation of Hydrogen Halides in Floppy Neon Clusters

    Czech Academy of Sciences Publication Activity Database

    Slavíček, Petr; Jungwirth, Pavel; Lewerenz, M.; Nahler, N. H.; Fárnik, M.; Buck, U.

    2003-01-01

    Roč. 107, - (2003), s. 7743-7754 ISSN 1089-5639 R&D Projects: GA MŠk LN00A032 Institutional research plan: CEZ:AV0Z4040901 Keywords : photodissociation * neon clusters Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.792, year: 2003

  16. Sulfur Dioxide Enhances Endogenous Hydrogen Sulfide Accumulation and Alleviates Oxidative Stress Induced by Aluminum Stress in Germinating Wheat Seeds

    Directory of Open Access Journals (Sweden)

    Dong-Bo Zhu

    2015-01-01

    Full Text Available Aluminum ions are especially toxic to plants in acidic soils. Here we present evidences that SO2 protects germinating wheat grains against aluminum stress. SO2 donor (NaHSO3/Na2SO3 pretreatment at 1.2 mM reduced the accumulation of superoxide anion, hydrogen peroxide, and malondialdehyde, enhanced the activities of guaiacol peroxidase, catalase, and ascorbate peroxidase, and decreased the activity of lipoxygenase in germinating wheat grains exposed to Al stress. We also observed higher accumulation of hydrogen sulfide (H2S in SO2-pretreated grain, suggesting the tight relation between sulfite and sulfide. Wheat grains geminated in water for 36 h were pretreated with or without 1 mM SO2 donor for 12 h prior to exposure to Al stress for 48 h and the ameliorating effects of SO2 on wheat radicles were studied. SO2 donor pretreatment reduced the content of reactive oxygen species, protected membrane integrity, and reduced Al accumulation in wheat radicles. Gene expression analysis showed that SO2 donor pretreatment decreased the expression of Al-responsive genes TaWali1, TaWali2, TaWali3, TaWali5, TaWali6, and TaALMT1 in radicles exposed to Al stress. These results suggested that SO2 could increase endogenous H2S accumulation and the antioxidant capability and decrease endogenous Al content in wheat grains to alleviate Al stress.

  17. Method of production of pure hydrogen near room temperature from aluminum-based hydride materials

    Science.gov (United States)

    Pecharsky, Vitalij K.; Balema, Viktor P.

    2004-08-10

    The present invention provides a cost-effective method of producing pure hydrogen gas from hydride-based solid materials. The hydride-based solid material is mechanically processed in the presence of a catalyst to obtain pure gaseous hydrogen. Unlike previous methods, hydrogen may be obtained from the solid material without heating, and without the addition of a solvent during processing. The described method of hydrogen production is useful for energy conversion and production technologies that consume pure gaseous hydrogen as a fuel.

  18. Parametrization of a reactive force field for aluminum hydride.

    Science.gov (United States)

    Ojwang, J G O; van Santen, Rutger A; Kramer, Gert Jan; van Duin, Adri C T; Goddard, William A

    2009-07-28

    A reactive force field, REAXFF, for aluminum hydride has been developed based on density functional theory (DFT) derived data. REAXFF(AlH(3)) is used to study the dynamics governing hydrogen desorption in AlH(3). During the abstraction process of surface molecular hydrogen charge transfer is found to be well described by REAXFF(AlH(3)). Results on heat of desorption versus cluster size show that there is a strong dependence of the heat of desorption on the particle size, which implies that nanostructuring enhances desorption process. In the gas phase, it was observed that small alane clusters agglomerated into a bigger cluster. After agglomeration molecular hydrogen was desorbed from the structure. This thermodynamically driven spontaneous agglomeration followed by desorption of molecular hydrogen provides a mechanism on how mobile alane clusters can facilitate the mass transport of aluminum atoms during the thermal decomposition of NaAlH(4).

  19. Computational studies on hydrogen storage in aluminum nitride nanowires/tubes.

    Science.gov (United States)

    Li, Yafei; Zhou, Zhen; Shen, Panwen; Zhang, S B; Chen, Zhongfang

    2009-05-27

    One-dimensional AlN nanowires/tubes were exploited as hydrogen storage media. The adsorption of atomic and molecular hydrogen on AlN nanowires was investigated by using density functional theory computations. Hydrogen atoms prefer to adsorb on top of neighboring threefold-coordinated N and Al atoms in pairs. A hydrogen molecule, however, prefers to adsorb on top of threefold-coordinated Al atoms in the nanowire surface, with an adsorption energy of 0.21 eV. H(2) dissociation is exothermic in the surface of AlN nanowires, and the dissociation barrier is rather low (0.76 eV), indicating that chemisorption is a feasible route for hydrogen storage in AlN nanowires/tubes. A maximum 3.66 wt% of molecular and 2.44 wt% of atomic hydrogen can be stored in AlN nanowires/tubes.

  20. Diffusion-controlled growth of hydrogen pores in aluminum-silicon castings: In situ observation and modeling

    Energy Technology Data Exchange (ETDEWEB)

    Atwood, R.C.; Sridhar, S.; Zhang, W.; Lee, P.D.

    2000-01-24

    In situ observations were made of the nucleation and growth kinetics of hydrogen porosity during the directional solidification of aluminium-7 wt% silicon (Al7Si) with TiB{sub 2} grain refiner added, using an X-ray temperature gradient stage (XTGS). The effect of altering the solidification velocity on the growth rate and morphology of the porosity formed was characterized by tracking individual pores with digital analysis of the micro-focal video images. It was found that increasing the solidification velocity caused the pore radius to decrease and pore density to increase. Insight gained from the experimental results was used to develop a computational model of the evolution of hydrogen pores during solidification of aluminum-silicon cast alloys. The model solves for the diffusion-limited growth of the pores in spherical coordinates, using a deterministic solution of the grain nucleation and growth as a sub-model to calculate the parameters that depend upon the fraction solid. Sensitivity analysis was carried out to assess the effects of equiaxed grain density, pore density, initial hydrogen content and cooling rate. The model agrees with the experimental results within the resolution limits of the XTGS experiments performed.

  1. Infrared spectra and theoretical calculations of lithium hydride clusters in solid hydrogen, neon, and argon.

    Science.gov (United States)

    Wang, Xuefeng; Andrews, Lester

    2007-07-12

    A matrix isolation IR study of laser-ablated lithium atom reactions with H2 has been performed in solid para-hydrogen, normal hydrogen, neon, and argon. The LiH molecule and (LiH)(2,3,4) clusters were identified by IR spectra with isotopic substitution (HD, D(2), and H(2) + D(2)) and comparison to frequencies calculated by density functional theory and the MP2 method. The LiH diatomic molecule is highly polarized and associates additional H(2) to form primary (H(2))(2)LiH chemical complexes surrounded by a physical cage of solid hydrogen where the ortho and para spin states form three different primary complexes and play a role in the identification of the bis-dihydrogen complex and in characterization of the matrix cage. The highly ionic rhombic (LiH)(2) dimer, which is trapped in solid matrices, is calculated to be 22 kcal/mol more stable than the inverse hydrogen bonded linear LiH-LiH dimer, which is not observed here. The cyclic lithium hydride trimer and tetramer clusters were also observed. Although the spontaneous reaction of 2 Li and H(2) to form (LiH)(2) occurs on annealing in solid H(2), the formation of higher clusters requires visible irradiation. We observed the simplest possible chemical reduction of dihydrogen using two lithium valence electrons to form the rhombic (LiH)(2) dimer.

  2. Oxidation of hydrogen-passivated silicon surfaces by scanning near-field optical lithography using uncoated and aluminum-coated fiber probes

    DEFF Research Database (Denmark)

    Madsen, Steen; Bozhevolnyi, Sergey I.; Birkelund, Karen

    1997-01-01

    Optically induced oxidation of hydrogen-passivated silicon surfaces using a scanning near-field optical microscope was achieved with both uncoated and aluminum-coated fiber probes. Line scans on amorphous silicon using uncoated fiber probes display a three-peak profile after etching in potassium...

  3. Sodium hydride clusters in solid hydrogen and neon: infrared spectra and theoretical calculations.

    Science.gov (United States)

    Wang, Xuefeng; Andrews, Lester

    2007-08-02

    Laser-ablated sodium atom reactions with H2 have been investigated in solid molecular hydrogens and neon. The NaH molecule and (NaH)2,3,4 clusters were identified by IR spectra with isotopic substitution (HD and D2) and comparison to frequencies calculated by density functional theory and the MP2 method. The use of para-hydrogen enriched samples provides evidence for a (H2)nNaH subcomplex surrounded by the solid hydrogen matrix cage. The ionic rhombic (NaH)2 dimer is characterized by strong absorptions at 761.7, 759.1, and 757.0 cm(-1), respectively, in solid neon, para-hydrogen, and normal hydrogen matrices. The cyclic sodium hydride trimer and tetramer clusters are also observed. Although the spontaneous reaction of two Li and H2 to form (LiH)2 occurs on annealing in solid H2, the formation of (NaH)2 requires near uv photoexcitation.

  4. Innovative regions and industrial clusters in hydrogen and fuel cell technology

    DEFF Research Database (Denmark)

    Madsen, Anne Nygaard; Andersen, Per Dannemand

    2010-01-01

    Regional governments in Europe seem to be playing an increasing role in hydrogen and fuel cell (H2FC) development. A number of regions are supporting demonstration projects and building networks among regional stakeholders to strengthen their engagement in H2FC technology. In this article, we...... will analyse regions that are highly engaged in H2FC activity, based on three indicators: existing hydrogen infrastructure and production sites, general innovativeness and the presence of industrial clusters with relevance for H2FC. Our finding is that regions with high activity in H2FC development are also...

  5. The Role of Molecule Clustering by Hydrogen Bond in Hydrous Ethanol on Laminar Burning Velocity

    Directory of Open Access Journals (Sweden)

    I Made Suarta

    2016-01-01

    Full Text Available The role of hydrogen bond molecule clustering in laminar burning velocities was observed. The water in hydrous ethanol can change the interaction between water-ethanol molecules. A certain amount of water can become oxygenated which increases the burning velocity. The hydrogen bond interaction pattern of ethanol and water molecules was modeled. Based on the molecular model, azeotropic behavior emerges from ethanol-water hydrogen bond, which is at a 95.1%v composition. The interaction with water molecule causes the ethanol molecule to be clustered with centered oxygenated compound. So, it supplies extra oxygen and provides intermolecular empty spaces that are easily infiltrated by the air. In the azeotropic composition, the molecular bond chain is the shortest, so hypothetically the burning velocity is anticipated to increase. The laminar burning velocity of ethanol fuel was tested in a cylindrical explosion bomb in lean, stoichiometric, and rich mixtures. The experimental result showed that the maximum burning velocity occurred at hydrous ethanol of 95.5%v composition. This discrepancy is the result of the addition of energy from 7.7% free ethanol molecules that are not clustered. At the rich mixture, the burning velocity of this composition is higher than that of anhydrous ethanol.

  6. Pressure-induced hydrogen-dominant metallic state in aluminum hydride.

    Science.gov (United States)

    Goncharenko, Igor; Eremets, M I; Hanfland, M; Tse, J S; Amboage, M; Yao, Y; Trojan, I A

    2008-02-01

    Two structural transitions in covalent aluminum hydride AlH3 were characterized at high pressure. A metallic phase stable above 100 GPa is found to have a remarkably simple cubic structure with shortest first-neighbor H-H distances ever measured except in H2 molecule. Although the high-pressure phase is predicted to be superconductive, this was not observed experimentally down to 4 K over the pressure range 120-164 GPa. The results indicate that the superconducting behavior may be more complex than anticipated.

  7. Hydrogen-rich water alleviates aluminum-induced inhibition of root elongation in alfalfa via decreasing nitric oxide production.

    Science.gov (United States)

    Chen, Meng; Cui, Weiti; Zhu, Kaikai; Xie, Yanjie; Zhang, Chunhua; Shen, Wenbiao

    2014-02-28

    One of the earliest and distinct symptoms of aluminum (Al) toxicity is the inhibition of root elongation. Although hydrogen gas (H2) is recently described as an important bio-regulator in plants, whether and how H2 regulates Al-induced inhibition of root elongation is largely unknown. To address these gaps, hydrogen-rich water (HRW) was used to investigate a physiological role of H2 and its possible molecular mechanism. Individual or simultaneous (in particular) exposure of alfalfa seedlings to Al, or a fresh but not old nitric oxide (NO)-releasing compound sodium nitroprusside (SNP), not only increased NO production, but also led to a significant inhibition of root elongation. Above responses were differentially alleviated by pretreatment with 50% saturation of HRW. The addition of HRW also alleviated the appearance of Al toxicity symptoms, including the improvement of seedling growth and less accumulation of Al. Subsequent results revealed that the removal of NO by the NO scavenger, similar to HRW, could decrease NO production and alleviate Al- or SNP-induced inhibition of root growth. Thus, we proposed that HRW alleviated Al-induced inhibition of alfalfa root elongation by decreasing NO production. Such findings may be applicable to enhance crop yield and improve stress tolerance. Copyright © 2013 Elsevier B.V. All rights reserved.

  8. Centroid path integral molecular dynamics simulation of lithium para-hydrogen clusters

    Science.gov (United States)

    Kinugawa, Kenichi; Moore, Preston B.; Klein, Michael L.

    1997-01-01

    The real-time quantum dynamics of a series of lithium para-hydrogen clusters, Li(p-H2)n (n=13, 55, and 180), has been investigated at 2.5 and 4.0 K by means of normal mode centroid path integral molecular dynamics (NMCMD) simulation, following the methodology originally proposed by Cao and Voth [J. Chem. Phys. 101, 6168 (1994)]. The Li(p-H2)34 and neat (p-H2)34 clusters have also been simulated at 2.5 K to see the effect of doping of a Li atom on the cluster dynamics. We explicitly display both the microcanonical and the constant-temperature equations of motion for NMCMD simulations using the Nosé-Hoover chain thermostats and the reference system propagator algorithm (RESPA). In addition to the energetic and structural properties, the real-time semi-classical dynamics of the centroids of the Li atom and p-H2 molecules in the clusters has been explored to investigate the diffusive and vibrational properties. In general, quantization of the nuclear motion enhances the ease of melting and diffusion, and also causes the power spectra of the velocity autocorrelation functions of hydrogen molecules to be dramatically shifted to lower frequency than in the classical regime. The self-diffusion coefficient of p-H2 molecules in the Li(p-H2)13 cluster, which is melted completely at both 2.5 and 4.0 K, is comparable to the experimental value of bulk liquid p-H2 just above the melting temperature (14 K). No significant differences have been found for the structural properties, molecular diffusion, and the quantum vibrational spectra of p-H2 molecules between the neat (p-H2)34 and Li(p-H2)34 clusters at 2.5 K. The n=34, 55, and 180 clusters show a solidlike core and a tendency towards surface melting at 2.5 K, with diffusion restricted to the outer region. The core of the Li(p-H2)55 cluster exhibits slow liquidlike diffusion at 4.0 K, whereas that of the Li(p-H2)180 cluster remains solidlike at this temperature. The quantum power spectrum of the velocity autocorrelation

  9. The Assessment of Hydrogen Energy Systems for Fuel Cell Vehicles Using Principal Componenet Analysis and Cluster Analysis

    DEFF Research Database (Denmark)

    Ren, Jingzheng; Tan, Shiyu; Dong, Lichun

    2012-01-01

    Hydrogen energy which has been recognized as an alternative instead of fossil fuel has been developed rapidly in fuel cell vehicles. Different hydrogen energy systems have different performances on environmental, economic, and energy aspects. A methodology for the quantitative evaluation...... to verify the correctness and accuracy of the principal components (PCs) determined by PCA in this paper. A case including 11 different hydrogen energy systems for fuel cell vehicles has been studied in this paper, and the system using steam reforming of natural gas for hydrogen production, pipeline...... for transportation of hydrogen, hydrogen gas tank for the storage of hydrogen at refueling stations, and gaseous hydrogen as power energy for fuel cell vehicles has been recognized as the best scenario. Also, the clustering results calculated by CA are consistent with those determined by PCA, denoting...

  10. Oxidative Esterification of Aldehydes with Urea Hydrogen Peroxide Catalyzed by Aluminum Chloride Hexahydrate

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Sin-Ae; Kim, Yoon Mi; Lee, Jong Chan [Chung-Ang University, Seoul (Korea, Republic of)

    2016-08-15

    We have developed a new, environmentally benign and highly efficient oxidative preparation of methyl esters by the reaction of various aldehydes with UHP in methanol catalyzed by readily accessible aluminum(III) chloride hexahydrate. This new greener and cost effective direct esterification method can serve as a useful alternative to existing protocols. Esters are some of the most important functional groups in organic chemistry and have been found in the sub-structure of a variety of natural products, industrial chemicals, and pharmaceuticals. Numerous methods have been reported for the preparation of various esters. In particular, this method gives low yields for both aldehydes containing electron donating substituents in aromatic rings and heterocyclic aldehydes. Therefore, development of a more general, efficient, and greener protocol for the esterification of aldehydes with readily available catalyst is still desirable.

  11. Chemical vapor deposition of silica, alumina, and aluminosilicates from mixtures of aluminum trichloride, chlorosilane, carbon dioxide, and hydrogen

    Science.gov (United States)

    Nitodas, Stephanos F.

    The objective of this study is the comprehensive investigation of the kinetics of the codeposition of silica (SiO2), alumina (Al 2O3), mullite (3Al2O3·2SiO 2), and other aluminosilicates from mixtures of chlorosilane (SiCl 4 or MTS), aluminum trichloride, carbon dioxide, and hydrogen in order to prepare coatings for the protection of SiC-based ceramics from oxidation in high-temperature applications. In an attempt to elucidate some aspects of the codeposition process, the deposition of silica and alumina from chlorosilane and aluminum trichloride, respectively, in carbon dioxide and hydrogen is also studied. Experiments are conducted in a tubular, hot-wall chemical vapor deposition reactor, coupled to an electronic microbalance, using various substrates. The effects of process parameters on deposition rate, film morphology, and film composition are examined over a wide range of experimental conditions. Among the most interesting results of this study is that the presence of AlCl 3 has a catalytic effect on the incorporation of silica in the deposit, leading to codeposition rates that are higher than the deposition rates that are obtained when only one of the two chlorides (chlorosilane or AlCl 3 is present in the feed. The results of the deposition experiments also show that manipulation of the temperature of the reaction and the residence time of the mixture in the reactor offers a way to control the composition of the codeposited films in SiO2 and Al2O3, obtaining deposits with significant alumina and aluminosilicate (e.g., mullite) content. In order to account for the complex chemistry of the formation of the oxide films, detailed homogeneous and heterogeneous mechanisms are developed for the deposition of silica, the deposition of alumina, and the codeposition process. The kinetic mechanisms encompass several reaction sequences for the generation of deposition precursors and the formation of solid phases, and are incorporated into the reaction and transport

  12. Effects of hydrogen peroxide, modified atmosphere and their combination on quality of minimally processed cluster beans.

    Science.gov (United States)

    Waghmare, Roji B; Annapure, Uday S

    2017-10-01

    The aim of this study was to determine the potential of hydrogen peroxide (H 2 O 2 ) and modified atmosphere packaging (MAP) on quality of fresh-cut cluster beans. Fresh-cut cluster beans were dipped in a solution of 2% H 2 O 2 for 2 min, packed in an atmosphere of (5% O 2 , 10% CO 2 , 85% N 2 ) and stored in polypropylene bags at 5 °C for 35 days. Passive MAP was created by consuming O 2 and producing CO 2 by fresh-cut cluster beans. The combined effect of H 2 O 2 and MAP on physico-chemical analysis (Headspace gas, weight loss, chlorophyll, hardness and color), microbial quality (mesophilic aerobics and yeasts and molds) and sensory analysis were studied. Chemical treatment and MAP both are equally effective in extending the shelf life at 5 °C for 28 days. Hence, MAP can be an alternative for chemical treatment to achieve a shelf life of 28 days for fresh-cut cluster beans. Control samples, without chemical treatment and modified atmosphere, stored at 5 °C were spoiled after 14 days. Chemical treatment followed by MAP underwent minimum changes in weight, chlorophyll, hardness and color of fresh-cut cluster beans. Combination treatment gives a storage life of 35 days.

  13. Structuring molecular hydrogen around ionic dopants: Li(+) cations in small pH(2) clusters.

    Science.gov (United States)

    Ponzi, A; Marinetti, F; Gianturco, Franco A

    2009-05-28

    The formation of clusters of molecular hydrogen around a cationic charge, the Li(+) ion, is modelled by treating the global interaction as a sum of potentials where the Li(+)-H(2) forces come from a full anisotropic potential energy surface produced earlier in our group. The H(2)-H(2) interaction is taken from the literature and treated as a spherical potential between structureless bosonic solvent molecules of para-H(2) (pH(2)). The optimization of geometries and the minimum energy values are obtained via a genetic algorithm treatment whose structures are modified at the end to include a modelling of quantum effects. The results of hydrogen clustering around the cationic dopant indicate the presence of marked shell structures which are initially completed by the octahedral arrangement of the first six solvent partners, while the next shells are dominated by the mainly dispersive interaction among pH(2) molecules and show, in larger clusters, less structured solvent collocations around the ionic impurity.

  14. Research on Liquid Management Technology in Water Tank and Reactor for Propulsion System with Hydrogen Production System Utilizing Aluminum and Water Reaction

    Science.gov (United States)

    Imai, Ryoji; Imamura, Takuya; Sugioka, Masatoshi; Higashino, Kazuyuki

    2017-12-01

    High pressure hydrogen produced by aluminum and water reaction is considered to be applied to space propulsion system. Water tank and hydrogen production reactor in this propulsion system require gas and liquid separation function under microgravity condition. We consider to install vane type liquid acquisition device (LAD) utilizing surface tension in the water tank, and install gas-liquid separation mechanism by centrifugal force which swirling flow creates in the hydrogen reactor. In water tank, hydrophilic coating was covered on both tank wall and vane surface to improve wettability. Function of LAD in water tank and gas-liquid separation in reaction vessel were evaluated by short duration microgravity experiments using drop tower facility. In the water tank, it was confirmed that liquid was driven and acquired on the outlet due to capillary force created by vanes. In addition of this, it was found that gas-liquid separation worked well by swirling flow in hydrogen production reactor. However, collection of hydrogen gas bubble was sometimes suppressed by aluminum alloy particles, which is open problem to be solved.

  15. Aluminum Cluster-Based Materials for Propulsion and Other Applications and Catalysis

    Science.gov (United States)

    2012-04-04

    formaldehyde . These findings not only enable control of reactivity with water to design air-stable materials, but also offer novel nano- catalysts that...break other polar covalent bonds including carbonyl bond in formaldehyde.Gp11 D. On the Growth Mechanisms of Nb3Cn- (n=5-10) Clusters...Phys. Rev. B 84, 075435-1 – 075435-7 (2011). GP11. “ Carbonyl Bond Cleavage by Complementary Active Sites”, W. H. Woodward, A. C. Reber, J. C

  16. Electron-induced hydrogen loss in uracil in a water cluster environment

    International Nuclear Information System (INIS)

    Smyth, M.; Kohanoff, J.; Fabrikant, I. I.

    2014-01-01

    Low-energy electron-impact hydrogen loss due to dissociative electron attachment (DEA) to the uracil and thymine molecules in a water cluster environment is investigated theoretically. Only the A ′ -resonance contribution, describing the near-threshold behavior of DEA, is incorporated. Calculations are based on the nonlocal complex potential theory and the multiple scattering theory, and are performed for a model target with basic properties of uracil and thymine, surrounded by five water molecules. The DEA cross section is strongly enhanced when the attaching molecule is embedded in a water cluster. This growth is due to two effects: the increase of the resonance lifetime and the negative shift in the resonance position due to interaction of the intermediate negative ion with the surrounding water molecules. A similar effect was earlier found in DEA to chlorofluorocarbons

  17. First-principles study on hydrogen storage in Al-, Ca-, Mn-doped MgNi clusters

    Science.gov (United States)

    Ma, Wenqiang; Jing, Cuiyu

    2017-10-01

    Using a density functional approach calculation, the structural and electronic properties of Mg8Ni5, Mg8Ni4Al, Mg8Ni4Ca and Mg8Ni4Mn clusters are investigated. The Al-, Ca-, Mn-doping in MgNi clusters lengthen d(Mg-Ni), also increase the Mulliken charge, and improve magnetic moment on most shell atoms, so that the doping is helpful for hydrogen storage. The reaction heats of hydrogenation, the enthalpies of formation, the desorption energies show that the Mg8Ni4Mn, Mg8Ni5, Mg8Ni4Al clusters have a good property of hydrogen storage materials with relatively higher reaction heat of hydrogenation, and that their hydrides have a smaller desorption energy. So the Mg8Ni4M (M = Ni, Al, Ca, Mn) clusters are some preferred candidates of H storage. These results indicate the advantage of small size and suitable metal-doped MgNi clusters on hydrogenation and dehydrogenation.

  18. Hydrogen Sulfide Alleviates Aluminum Toxicity via Decreasing Apoplast and Symplast Al Contents in Rice

    Directory of Open Access Journals (Sweden)

    Chun Q. Zhu

    2018-03-01

    Full Text Available Hydrogen sulfide (H2S plays a vital role in Al3+ stress resistance in plants, but the underlying mechanism is unclear. In the present study, pretreatment with 2 μM of the H2S donor NaHS significantly alleviated the inhibition of root elongation caused by Al toxicity in rice roots, which was accompanied by a decrease in Al contents in root tips under 50 μM Al3+ treatment. NaHS pretreatment decreased the negative charge in cell walls by reducing the activity of pectin methylesterase and decreasing the pectin and hemicellulose contents in rice roots. This treatment also masked Al-binding sites in the cell wall by upregulating the expression of OsSATR1 and OsSTAR2 in roots and reduced Al binding in the cell wall by stimulating the expression of the citrate acid exudation gene OsFRDL4 and increasing the secretion of citrate acid. In addition, NaHS pretreatment decreased the symplasmic Al content by downregulating the expression of OsNRAT1, and increasing the translocation of cytoplasmic Al to the vacuole via upregulating the expression of OsALS1. The increment of antioxidant enzyme [superoxide dismutase (SOD, ascorbate peroxidase (APX, catalase (CAT, and peroxidase (POD] activity with NaHS pretreatment significantly decreased the MDA and H2O2 content in rice roots, thereby reducing the damage of Al3+ toxicity on membrane integrity in rice. H2S exhibits crosstalk with nitric oxide (NO in response to Al toxicity, and through reducing NO content in root tips to alleviate Al toxicity. Together, this study establishes that H2S alleviates Al toxicity by decreasing the Al content in the apoplast and symplast of rice roots.

  19. DFT model cluster studies of O₂ adsorption on hydrogenated titania sub-nanoparticles.

    Science.gov (United States)

    Andreev, Alexey S; Kuznetsov, Vyacheslav N; Chizhov, Yuri V

    2013-11-01

    In the present paper, we examine the general applicability of different TiO2 model clusters to study of local chemical events on TiO2 sub-nanoparticles. Our previous DFT study of TiO2 activation through H adsorption and following deactivation by O2 adsorption using small amorphous Ti8O16 cluster were complemented by examination of rutile-type and spherical Ti15O30 nanoclusters. The obtained results were thoroughly compared with experimental data and results of related computational studies using other TiO2 models including periodic structures. It turned out that all considered model TiO2 model systems provide qualitatively similar results. It was shown that atomic hydrogen is adsorbed with negligible activation energy on surface O atoms, which is accompanied by the appearance of reduced Ti(3+) species and corresponding localized band gap 3d-Ti states. Oxygen molecule is adsorbed on Ti(3+) sites spontaneously forming molecular O2 (-) species by capturing an extra electron of Ti(3+) ion, which results in disappearance of Ti(3+) species and corresponding band gap states. Calculated g-tensor values of Ti(3+) and O2 (-) species agree well with the results of EPR studies and do not depend on the used TiO2 model cluster. Additionally, it was shown that the various cluster calculations provide results comparable with the calculations of periodic structures with respect to the modeling of chemical processes under study. As a whole, the present study approves the validity of molecular cluster approach to study of local chemical events on TiO2 sub-nanoparticles.

  20. Photodissociation of Hydrogen Iodide on the Surface of Large Argon Clusters: The Orientation of the Librational Wave Function and the Scattering from the Cluster Cage

    Czech Academy of Sciences Publication Activity Database

    Slavíček, Petr; Jungwirth, Pavel; Lewerenz, M.; Nahler, N. H.; Fárník, M.; Buck, U.

    2004-01-01

    Roč. 120, č. 9 (2004), s. 4498-4511 ISSN 0021-9606 R&D Projects: GA MŠk LN00A032 Institutional research plan: CEZ:AV0Z4040901 Keywords : photodissociation * hydrogen iodide * clusters Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.105, year: 2004

  1. Influence of Levulinic Acid Hydrogenation on Aluminum Coordination in Zeolite-Supported Ruthenium Catalysts: A 27Al 3QMAS Nuclear Magnetic Resonance Study.

    Science.gov (United States)

    Luo, Wenhao; van Eck, Ernst R H; Bruijnincx, Pieter C A; Weckhuysen, Bert M

    2018-02-19

    The influence of a highly oxygenated, polar protic reaction medium, that is, levulinic acid in 2-ethylhexanoic acid, on the dealumination of two zeolite-supported ruthenium catalysts, namely Ru/H-β and Ru/H-ZSM-5, has been investigated by 27 Al triple-quantum magic-angle spinning nuclear magnetic resonance spectroscopy (3QMAS NMR). Upon use of these catalysts in the hydrogenation of levulinic acid, the heterogeneity in aluminum speciation is found to increase for both Ru/H-ZSM-5 and Ru/H-β. For Ru/H-ZSM-5, the symmetric, tetrahedral framework aluminum species (FAL) were found to be mainly converted into distorted tetrahedral FAL species, with limited loss of aluminum to the solution by leaching. A severe loss of both FAL and extra-framework aluminum (EFAL) species into the liquid phase was observed for Ru/H-β instead. The large decrease in tetrahedral FAL species, in particular, results in a significant decrease in strong acid sites, as corroborated by Fourier transform infrared spectroscopy (FT-IR). This decrease in acidity, evidence of the inferior stability of the strongly acidic sites in Ru/H-β relative to Ru/H-ZSM-5 under the applied conditions, is considered as the main reason for differences seen in catalyst performance. ©2017 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

  2. Influence of Levulinic Acid Hydrogenation on Aluminum Coordination in Zeolite‐Supported Ruthenium Catalysts: A 27Al 3QMAS Nuclear Magnetic Resonance Study†

    Science.gov (United States)

    Luo, Wenhao; van Eck, Ernst R. H.

    2017-01-01

    Abstract The influence of a highly oxygenated, polar protic reaction medium, that is, levulinic acid in 2‐ethylhexanoic acid, on the dealumination of two zeolite‐supported ruthenium catalysts, namely Ru/H‐β and Ru/H‐ZSM‐5, has been investigated by 27Al triple‐quantum magic‐angle spinning nuclear magnetic resonance spectroscopy (3QMAS NMR). Upon use of these catalysts in the hydrogenation of levulinic acid, the heterogeneity in aluminum speciation is found to increase for both Ru/H‐ZSM‐5 and Ru/H‐β. For Ru/H‐ZSM‐5, the symmetric, tetrahedral framework aluminum species (FAL) were found to be mainly converted into distorted tetrahedral FAL species, with limited loss of aluminum to the solution by leaching. A severe loss of both FAL and extra‐framework aluminum (EFAL) species into the liquid phase was observed for Ru/H‐β instead. The large decrease in tetrahedral FAL species, in particular, results in a significant decrease in strong acid sites, as corroborated by Fourier transform infrared spectroscopy (FT‐IR). This decrease in acidity, evidence of the inferior stability of the strongly acidic sites in Ru/H‐β relative to Ru/H‐ZSM‐5 under the applied conditions, is considered as the main reason for differences seen in catalyst performance. PMID:29164764

  3. Investigation of hydrogen bonding in 3-methylindole · H 2O cluster by mass analyzed threshold ionization

    Science.gov (United States)

    Georgiev, S.; Neusser, H. J.

    2004-05-01

    The adiabatic ionization energies and the threshold ion vibrational spectra of 3-methylindole and the 3-methylindole · H 2O cluster and the hydrogen bonding energy of the latter have been measured with mass analyzed threshold ionization (MATI) technique. Dissociation of the cluster has been detected as a breakdown of the threshold ion signal at the parent mass channel and the simultaneous increase of the signal at the fragment mass channel. Comparison with our previous work on indole · H 2O shows that there is only a small influence of the methyl group on the ionization energy and the hydrogen bonding strength.

  4. Hydrogen cluster/network in tobermorite as studied by multiple-quantum spin counting {sup 1}H NMR

    Energy Technology Data Exchange (ETDEWEB)

    Mogami, Yuuki [Division of Chemistry, Graduate School of Science, Kyoto University, Kyoto 606-8502 (Japan); Yamazaki, Satoru; Matsuno, Shinya [Analysis and Simulation Center, Asahi Kasei Corporation, Fuji, Shizuoka 416-8501 (Japan); Matsui, Kunio [Products and Marketing Development Dept., Asahi Kasei Construction Materials Corporation, Sakai-machi, Ibaraki 306-0493 (Japan); Noda, Yasuto [Division of Chemistry, Graduate School of Science, Kyoto University, Kyoto 606-8502 (Japan); Takegoshi, K., E-mail: takeyan@kuchem.kyoto-u.ac.jp [Division of Chemistry, Graduate School of Science, Kyoto University, Kyoto 606-8502 (Japan)

    2014-12-15

    Proton multiple-quantum (MQ) spin-counting experiment has been employed to study arrangement of hydrogen atoms in 9 Å/11 Å natural/synthetic tobermorites. Even though all tobermorite samples give similar characterless, broad static-powder {sup 1}H NMR spectra, their MQ spin-counting spectra are markedly different; higher quanta in 11 Å tobermorite do not grow with the MQ excitation time, while those in 9 Å one do. A statistical analysis of the MQ results recently proposed [26] is applied to show that hydrogens align in 9 Å tobermorite one dimensionally, while in 11 Å tobermorite they exist as a cluster of 5–8 hydrogen atoms.

  5. Metal Substitution in Keggin-Type Tridecameric Aluminum-Oxo-Hydroxy Clusters.

    Science.gov (United States)

    Parker, Wallace O'Neil; Millini, Roberto; Kiricsi, Imre

    1997-02-12

    others. Solid state NMR also shows the coordination symmetries of the outer 12 Al nuclei in both clusters to be similar.

  6. Comparison of Degrees of Potential-Energy-Surface Anharmonicity for Complexes and Clusters with Hydrogen Bonds

    Science.gov (United States)

    Kozlovskaya, E. N.; Doroshenko, I. Yu.; Pogorelov, V. E.; Vaskivskyi, Ye. V.; Pitsevich, G. A.

    2018-01-01

    Previously calculated multidimensional potential-energy surfaces of the MeOH monomer and dimer, water dimer, malonaldehyde, formic acid dimer, free pyridine-N-oxide/trichloroacetic acid complex, and protonated water dimer were analyzed. The corresponding harmonic potential-energy surfaces near the global minima were constructed for series of clusters and complexes with hydrogen bonds of different strengths based on the behavior of the calculated multidimensional potential-energy surfaces. This enabled the introduction of an obvious anharmonicity parameter for the calculated potential-energy surfaces. The anharmonicity parameter was analyzed as functions of the size of the analyzed area near the energy minimum, the number of points over which energies were compared, and the dimensionality of the solved vibrational problem. Anharmonicity parameters for potential-energy surfaces in complexes with strong, medium, and weak H-bonds were calculated under identical conditions. The obtained anharmonicity parameters were compared with the corresponding diagonal anharmonicity constants for stretching vibrations of the bridging protons and the lengths of the hydrogen bridges.

  7. Adsorption of carbon monoxide on small aluminum oxide clusters: Role of the local atomic environment and charge state on the oxidation of the CO molecule

    Science.gov (United States)

    Ornelas-Lizcano, J. C.; Guirado-López, R. A.

    2015-03-01

    We present extensive density functional theory (DFT) calculations dedicated to analyze the adsorption behavior of CO molecules on small AlxOy± clusters. Following the experimental results of Johnson et al. [J. Phys. Chem. A 112, 4732 (2008)], we consider structures having the bulk composition Al2O3, as well as smaller Al2O2 and Al2O units. Our electron affinity and total energy calculations are consistent with aluminum oxide clusters having two-dimensional rhombus-like structures. In addition, interconversion energy barriers between two- and one-dimensional atomic arrays are of the order of 1 eV, thus clearly defining the preferred isomers. Single CO adsorption on our charged AlxOy± clusters exhibits, in general, spontaneous oxygen transfer events leading to the production of CO2 in line with the experimental data. However, CO can also bind to both Al and O atoms of the clusters forming aluminum oxide complexes with a CO2 subunit. The vibrational spectra of AlxOy + CO2 provides well defined finger prints that may allow the identification of specific isomers. The AlxOy+ clusters are more reactive than the anionic species and the final Al2O+ + CO reaction can result in the production of atomic Al and carbon dioxide as observed from experiments. We underline the crucial role played by the local atomic environment, charge density distribution, and spin-multiplicity on the oxidation behavior of CO molecules. Finally, we analyze the importance of coadsorption and finite temperature effects by performing DFT Born-Oppenheimer molecular dynamics. Our calculations show that CO oxidation on AlxOy+ clusters can be also promoted by the binding of additional CO species at 300 K, revealing the existence of fragmentation processes in line with the ones experimentally inferred.

  8. Cyanide leaching of Au/CeO2: highly active gold clusters for 1,3-butadiene hydrogenation.

    Science.gov (United States)

    Guan, Y; Hensen, E J M

    2009-11-07

    Ceria-supported gold catalysts before and after leaching by NaCN were investigated by X-ray absorption spectroscopy at the Au L(III) edge. After gold leaching, isolated gold cations remain in close interaction with the support. These ions form an ideal precursor to very small clusters of a few gold atoms upon reduction. The resulting gold clusters exhibit a very high intrinsic activity in the hydrogenation of 1,3-butadiene, which is at least one order of magnitude higher than that of the nanometre-sized gold particles in the non-leached parent catalyst. These findings point to a very strong structure sensitivity of the gold-catalyzed hydrogenation of dienes.

  9. Quantum Cluster Equilibrium Theory Applied in Hydrogen Bond Number Studies of Water. 1. Assessment of the Quantum Cluster Equilibrium Model for Liquid Water.

    Science.gov (United States)

    Lehmann, S B C; Spickermann, C; Kirchner, B

    2009-06-09

    Different cluster sets containing only 2-fold coordinated water, 2- and 3-fold coordinated water, and 2-fold, 3-fold, and tetrahedrally coordinated water molecules were investigated by applying second-order Møller-Plesset perturbation theory and density functional theory based on generalized gradient approximation functionals in the framework of the quantum cluster equilibrium theory. We found an improvement of the calculated isobars at low temperatures if tetrahedrally coordinated water molecules were included in the set of 2-fold hydrogen-bonded clusters. This was also reflected in a reduced parameter for the intercluster interaction. If all parameters were kept constant and only the electronic structure methods were varied, large basis set dependencies in the liquid state for the density functional theory results were found. The behavior of the intercluster parameter was also examined for the case that cooperative effects were neglected. The values were 3 times as large as in the calculations including the total electronic structure. Furthermore, these effects are more severe in the tetrahedrally coordinated clusters. Different populations were considered, one weighted by the total number of clusters and one depending on the monomers.

  10. Synthesis and characterization of Co and Ni catalysts supported on alumina, synthesized from aluminum industry wastes and its use in the reforming reaction of ethanol, to hydrogen production

    International Nuclear Information System (INIS)

    Saborio Gonzalez, Maricruz

    2013-01-01

    Alumina was synthesized from aluminum anodizing process wastes through a process of mechanical and thermal treatment of calcination,1373 K with a heating rate of 5 K/min to 8h, obtaining a pure alumina of corundum type, a crystal size of 9.77 nm. This material is used as a microporous support and have elaborated Cobalt heterogeneous catalysts (CO 3 O 4 / Al 2 O 3 ) and Nickel (NiO/Al 2 O 3 ) which were calcined at different temperatures (573 K, 773 K, 973 K, 1173 K). From these is produced hydrogen by ethenol catalytic reforming. Two techniques were used for driving the mixture EtOH:H 2 O (1:3) of starting gas. A first technique has involved trawling through boiling of the mixture. High percentages were obtained of hydrogen but to a lesser reaction time, consuming all starting reagent, the most efficient catalyst has been the CO 2 O 3 / Al 2 O 3 calcined at 973K with a production of H 2 of 50% v/v as well as CH 4 and CO of 10%v/v. The second type of starting reagent carryover has been mild heating at 333 K and nitrogen sweep, with the following results 11% v/v H 2 , 12% v/v CH 4 and 7% v/v CO. Addition of ethanol conversion maximums of 76% and hydrogen yield of 29%, of the theoretical yield based on the ethanol consumed. (author) [es

  11. Study of the interplay between N-graphene defects and small Pd clusters for enhanced hydrogen storage via a spill-over mechanism.

    Science.gov (United States)

    Rangel, E; Sansores, E; Vallejo, E; Hernández-Hernández, A; López-Pérez, P A

    2016-12-07

    The hydrogen spill-over mechanism was studied by applying Density Functional Theory. We used small palladium clusters to act as the catalyst supported on the substrate (comprised of pyridinic and pyrrolic nitrogen doped graphene), in order to study hydrogen dissociation, migration and diffusion. Charge transfer and strong binding between the catalyst and the substrate lead to dissociated states of H 2 and prevent clusters from detaching and coalescing. In dissociated cases of H 2 on Pd clusters, energy barriers below 0.6 eV were found. Likewise, concerning hydrogen migration from the catalyst to the substrate, energy barrier values of 0.8 eV (pyridinic defect) and 0.5 eV (pyrrolic defect) were apparent in the case of the Pd 4 cluster at full hydrogen saturation. This indicates that hydrogen dissociation and migration may occur spontaneously at room temperature. This result shows that the interaction between the defects and the small metal clusters may explain the role that defects play in hydrogen migration from the catalyst to the substrate. Subsequently, it was found that thermal desorption does not limit chemisorbed hydrogen diffusion on the substrate. This work may thus help to determine experimental strategies with the capacity to enhance hydrogen storage.

  12. Coupled cluster and density functional theory calculations of atomic hydrogen chemisorption on pyrene and coronene as model systems for graphene hydrogenation.

    Science.gov (United States)

    Wang, Ying; Qian, Hu-Jun; Morokuma, Keiji; Irle, Stephan

    2012-07-05

    Ab initio coupled cluster and density functional theory studies of atomic hydrogen addition to the central region of pyrene and coronene as molecular models for graphene hydrogenation were performed. Fully relaxed potential energy curves (PECs) were computed at the spin-unrestricted B3LYP/cc-pVDZ level of theory for the atomic hydrogen attack of a center carbon atom (site A), the midpoint of a neighboring carbon bond (site B), and the center of a central hexagon (site C). Using the B3LYP/cc-pVDZ PEC geometries, we evaluated energies at the PBE density functional, as well as ab initio restricted open-shell ROMP2, ROCCSD, and ROCCSD(T) levels of theory, employing cc-pVDZ and cc-pVTZ basis sets, and performed a G2MS extrapolation to the ROCCSD(T)/cc-pVTZ level of theory. In agreement with earlier studies, we find that only site A attack leads to chemisorption. The G2MS entrance channel barrier heights, binding energies, and PEC profiles are found to agree well with a recent ab initio multireference wave function theory study (Bonfanti et al. J. Chem. Phys.2011, 135, 164701), indicating that single-reference open-shell methods including B3LYP are sufficient for the theoretical treatment of the interaction of graphene with a single hydrogen atom.

  13. Adsorption and chemical reaction of gaseous mixtures of hydrogen chloride and water on aluminum oxide and application to solid-propellant rocket exhaust clouds

    Science.gov (United States)

    Cofer, W. R., III; Pellett, G. L.

    1978-01-01

    Hydrogen chloride (HCl) and aluminum oxide (Al2O3) are major exhaust products of solid rocket motors (SRM). Samples of calcination-produced alumina were exposed to continuously flowing mixtures of gaseous HCl/H2O in nitrogen. Transient sorption rates, as well as maximum sorptive capacities, were found to be largely controlled by specific surface area for samples of alpha, theta, and gamma alumina. Sorption rates for small samples were characterized linearly with an empirical relationship that accounted for specific area and logarithmic time. Chemisorption occurred on all aluminas studied and appeared to form from the sorption of about a 2/5 HCl-to-H2O mole ratio. The chemisorbed phase was predominantly water soluble, yielding chloride/aluminum III ion mole ratios of about 3.3/1 suggestive of dissolved surface chlorides and/or oxychlorides. Isopiestic experiments in hydrochloric acid indicated that dissolution of alumina led to an increase in water-vapor pressure. Dissolution in aqueous SRM acid aerosol droplets, therefore, might be expected to promote evaporation.

  14. Exploring N-Rich Phases in Li(x)N(y) Clusters for Hydrogen Storage at Nanoscale.

    Science.gov (United States)

    Bhattacharya, Amrita; Bhattacharya, Saswata

    2015-09-17

    We have performed cascade genetic algorithm and ab initio atomistic thermodynamics under the framework of first-principles-based hybrid density functional theory to study the (meta-)stability of a wide range of Li(x)N(y) clusters. We found that hybrid xc-functional is essential to address this problem as a local/semilocal functional simply fails even to predict a qualitative prediction. Most importantly, we find that though in bulk lithium nitride, the Li-rich phase, that is, Li3N, is the stable stoichiometry; in small Li(x)N(y) clusters, N-rich phases are more stable at thermodynamic equilibrium. We further show that these N-rich clusters are promising hydrogen storage material because of their easy adsorption and desorption ability at respectively low (≤300 K) and moderately high temperature (≥600 K).

  15. Mechanistic Insights on C-O and C-C Bond Activation and Hydrogen Insertion during Acetic Acid Hydrogenation Catalyzed by Ruthenium Clusters in Aqueous Medium

    Energy Technology Data Exchange (ETDEWEB)

    Shangguan, Junnan; Olarte, Mariefel V.; Chin, Ya-Huei [Cathy

    2016-06-07

    Catalytic pathways for acetic acid (CH3COOH) and hydrogen (H2) reactions on dispersed Ru clusters in the aqueous medium and the associated kinetic requirements for C-O and C-C bond cleavages and hydrogen insertion are established from rate and isotopic assessments. CH3COOH reacts with H2 in steps that either retain its carbon backbone and lead to ethanol, ethyl acetate, and ethane (47-95 %, 1-23 %, and 2-17 % carbon selectivities, respectively) or break its C-C bond and form methane (1-43 % carbon selectivities) at moderate temperatures (413-523 K) and H2 pressures (10-60 bar, 298 K). Initial CH3COOH activation is the kinetically relevant step, during which CH3C(O)-OH bond cleaves on a metal site pair at Ru cluster surfaces nearly saturated with adsorbed hydroxyl (OH*) and acetate (CH3COO*) intermediates, forming an adsorbed acetyl (CH3CO*) and hydroxyl (OH*) species. Acetic acid turnover rates increase proportionally with both H2 (10-60 bar) and CH3COOH concentrations at low CH3COOH concentrations (<0.83 M), but decrease from first to zero order as the CH3COOH concentration and the CH3COO* coverages increase and the vacant Ru sites concomitantly decrease. Beyond the initial CH3C(O)-OH bond activation, sequential H-insertions on the surface acetyl species (CH3CO*) lead to C2 products and their derivative (ethanol, ethane, and ethyl acetate) and the competitive C-C bond cleavage of CH3CO* causes the eventual methane formation. The instantaneous carbon selectivities towards C2 species (ethanol, ethane, and ethyl acetate) increase linearly with the concentration of proton-type Hδ+ (derived from carboxylic acid dissociation) and chemisorbed H*. The selectivities towards C2 products decrease with increasing temperature, because of higher observed barriers for C-C bond cleavage than H-insertion. This study offers an interpretation of mechanism and energetics and provides kinetic evidence of carboxylic acid assisted proton-type hydrogen (Hδ+) shuffling during H

  16. Single Photon Ionization Mass Spectroscopy of Hydrogen Bonded and van der Waals Cluster Systems Using a Capillary Discharge Soft X-Ray Laser

    Science.gov (United States)

    Heinbuch, S.; Dong, F.; Bernstein, E. R.; Rocca, J. J.

    We report the first use of a soft x-ray laser in photochemistry studies. A 46.9 nm capillary discharge soft x-ray laser was used to study hydrogen bonded and van der Waals cluster systems. The study of van der Waals cluster formation and growth in the gas phase can contribute to the understanding of solvation processes, solvation dynamics, and the nucleation and growth of small clusters. The comparative investigation of water, methanol, and ammonia clusters is of importance because these clusters demonstrate a wide range of van der Waals interactions and hydrogen bonding: water clusters are very strongly and dominantly hydrogen bonded; methanol clusters somewhat less so; and ammonia clusters perhaps not at all. Sulfur dioxide is the major contributor to acid rain and a generator of soot. The process of SO2 and water forming acid rain has been studied for some time in order to determine the atmospheric mechanism for this environmental issue. Carbon dioxide is the major gas phase pollutant responsible for the "green house effect" of the atmosphere. Many experiments employing supersonic expansion coupled with mass spectroscopic detection have been conducted in order to study monomeric and clustered structure and behavior of each of these systems. Spectroscopic and photochemical properties of the systems should be related to cluster structure. However, one of the most serious problems in the investigation of the distribution of neutral hydrogen-bonded and van der Waals clusters is the fragmentation or the intra-cluster ion-molecule reactions to the protonated cluster ions. Electron Impact (EI) ionization usually suffers considerably from fragmentation of parent cluster ions on account of the large excess energies during the ionization process. Multiphoton ionization (MPI) processes result in the predissociation of the neutral clusters before ionization. Single photon ionization is a more "gentle" way to study hydrogen-bonded and Van der Waals clusters since less

  17. Theoretical study of aluminum arsenide clusters: equilibrium geometries and electronic structures of Al(n)As(n) (n=1-4).

    Science.gov (United States)

    Qu, Yuhui; Ma, Wanyong; Bian, Xiufang; Tang, Hongwei; Tian, Weixing

    2005-12-01

    The geometry, electronic configurations, harmonic vibrational frequencies and stability of the structural isomers of Al(n)As(n) clusters (n=1-4) have been investigated using density functional theory. For dimers and trimers, the lowest energy structures are planar cumulenic rings (IIs, VIs) with D(nh) symmetry. The caged structure with T(d) symmetry (IXs) lie lowest in energy among the tetramers. The AlAs bond dominates the structures for many isomers so that one preferred dissociation channel is loss of the AlAs monomer. The atomic charges, hybridization and chemical bonding in the different structures are also discussed. Comparisons with valence-isoelectronic Si(2n), Al(n)P(n) and Ga(n)As(n) clusters of same size, the properties of the aluminum arsenide clusters are analogous to those of their corresponding Al(n)P(n), Si(2n) counterparts. The results can explain the modification and refinement of Si phase in AlSi alloy in the molecular level.

  18. The effect of zinc on the aluminum anode of the aluminum-air battery

    Science.gov (United States)

    Tang, Yougen; Lu, Lingbin; Roesky, Herbert W.; Wang, Laiwen; Huang, Baiyun

    Aluminum is an ideal material for batteries, due to its excellent electrochemical performance. Herein, the effect of zinc on the aluminum anode of the aluminum-air battery, as an additive for aluminum alloy and electrolytes, has been studied. The results show that zinc can decrease the anodic polarization, restrain the hydrogen evolution and increase the anodic utilization rate.

  19. A first-principles study of the electronic structure and stability of a lithium aluminum hydride for hydrogen storage.

    Science.gov (United States)

    Song, Y; Singh, R; Guo, Z X

    2006-04-06

    LiAlH4 holds great promise for reversible hydrogen storage, where a fundamental understanding of hydrogen interaction with the metal elements is essential to further improve its properties. The present paper reports a first-principles study of its stability and electronic structure, using a full potential linearized augmented plane wave (FLAPW) method within the generalized gradient approximation (GGA) for high accuracy. The theoretically calculated heat of formation agrees well with experiment. The electronic structures show that the H atoms bond nonequivalently with the Al in the [AlH4]- ligand, which leads to complex dehydrogenation characteristics of LiAlH4.

  20. Hydrogen isotope dynamic effects on partially reduced paramagnetic six-atom Ag clusters in low-symmetry cage of zeolite A

    Directory of Open Access Journals (Sweden)

    Amgalanbaatar Baldansuren

    2016-12-01

    Full Text Available A well-defined, monodisperse Ag6+ cluster was prepared by mild chemical treatments including aqueous ion-exchange, dehydration, oxygen calcination at 673 K and hydrogen reduction 293 K, rather than autoreduction and irradiations with γ-ray and X-ray. H2 reduction was proved as a crucial step to form the nanosize cluster with six equivalent silver atoms. Hydrogen isotope exchange and dynamics were probed by EPR and HYSCORE to provide information relevant to the cluster geometry, size, charge state and spin state. Desorption experiments result in the deuterium desorption energy of 0.78 eV from the cluster, exceeding the experimental value of 0.38 eV for the single crystal Ag(111 surface. These experiments indicate that the EPR-active clusters are in delicate equilibrium with EPR-silent clusters.

  1. Parametrization of a reactive force field for aluminum hydride

    OpenAIRE

    Ojwang, J. G. O.; van Santen, Rutger A.; Kramer, Gert Jan; van Duin, Adri C. T.; Goddard, William A., III

    2009-01-01

    A reactive force field, REAXFF, for aluminum hydride has been developed based on density functional theory (DFT) derived data. REAXFF_(AlH_3) is used to study the dynamics governing hydrogen desorption in AlH_3. During the abstraction process of surface molecular hydrogen charge transfer is found to be well described by REAXFF_(AlH_3). Results on heat of desorption versus cluster size show that there is a strong dependence of the heat of desorption on the particle size, which implies that nan...

  2. Structural, electronic, and magnetic properties of boron cluster anions doped with aluminum: BnAl− (2 ≤ n ≤ 9)

    International Nuclear Information System (INIS)

    Gu Jian-Bing; Yang Xiang-Dong; Li Hui-Fang; Wang Huai-Qian

    2012-01-01

    The geometrical structures, relative stabilities, electronic and magnetic properties of small B n Al − (2 ≤ n ≤ 9) clusters are systematically investigated by using the first-principles density functional theory. The results show that the Al atom prefers to reside either on the outer-side or above the surface, but not in the centre of the clusters in all of the most stable B n Al − (2 ≤ n ≤ 9) isomers and the one excess electron is strong enough to modify the geometries of some specific sizes of the neutral clusters. All the results of the analysis for the fragmentation energies, the second-order difference of energies, and the highest occupied-lowest unoccupied molecular orbital energy gaps show that B 4 Al − and B 8 Al − clusters each have a higher relative stability. Especially, the B 8 Al − cluster has the most enhanced chemical stability. Furthermore, both the local magnetic moments and the total magnetic moments display a pronounced odd-even oscillation with the number of boron atoms, and the magnetic effects arise mainly from the boron atoms except for the B 7 Al − and B 9 Al − clusters. (atomic and molecular physics)

  3. Phosphorescence quantum yield enhanced by intermolecular hydrogen bonds in Cu4I4 clusters in the solid state.

    Science.gov (United States)

    Mazzeo, Paolo P; Maini, Lucia; Petrolati, Alex; Fattori, Valeria; Shankland, Kenneth; Braga, Dario

    2014-07-07

    Organo-copper(i) halide complexes with a Cu4I4 cubane core and cyclic amines as ligands have been synthesized and their crystal structures have been defined. Their solid state photophysical properties have been measured and correlated with the crystal structure and packing. A unique and remarkably high luminescence quantum yield (76%) has been measured for one of the complexes having the cubane clusters arranged in a columnar structure and held together by N-HI hydrogen bonds. This high luminescence quantum yield is correlated with a slow radiationless deactivation rate of the excited state and suggests a rather strong enhancement of the cubane core rigidity bestowed by the hydrogen bond pattern. Some preliminary thin film deposition experiments show that these compounds could be considered to be good candidates for applications in electroluminescent devices because of their bright luminescence, low cost and relatively easy synthesis processes.

  4. Hydrogenation

    Energy Technology Data Exchange (ETDEWEB)

    Pier, M.

    1943-02-19

    A transcript is presented of a speech on the history of the development of hydrogenation of coal and tar. Apparently the talk had been accompanied by the showing of photographic slides, but none of the pictures were included with the report. In giving the history, Dr. Pier mentioned the dependence of much of the development of hydrogenation upon previous development in the related areas of ammonia and methanol syntheses, but he also pointed out several ways in which equipment appropriate for hydrogenation differed considerably from that used for ammonia and methanol. Dr. Pier discussed the difficulties encountered with residue processing, design of the reaction ovens, manufacture of ovens and preheaters, heating of reaction mixtures, development of steels, and development of compressor pumps. He described in some detail his own involvement in the development of the process. In addition, he discussed the development of methods of testing gasolines and other fuels. Also he listed some important byproducts of hydrogenation, such as phenols and polycyclic aromatics, and he discussed the formation of iso-octane fuel from the butanes arising from hydrogenation. In connection with several kinds of equipment used in hydrogenation (whose pictures were being shown), Dr. Pier gave some of the design and operating data.

  5. Exploring the possibility to store the mixed oxygen-hydrogen cluster in clathrate hydrate in molar ratio 1:2 (O2+2H2).

    Science.gov (United States)

    Qin, Yan; Du, Qi-Shi; Xie, Neng-Zhong; Li, Jian-Xiu; Huang, Ri-Bo

    2017-05-01

    An interesting possibility is explored: storing the mixture of oxygen and hydrogen in clathrate hydrate in molar ratio 1:2. The interaction energies between oxygen, hydrogen, and clathrate hydrate are calculated using high level quantum chemical methods. The useful conclusion points from this study are summarized as follows. (1) The interaction energies of oxygen-hydrogen mixed cluster are larger than the energies of pure hydrogen molecular cluster. (2) The affinity of oxygen molecules with water molecules is larger than that of the hydrogen molecules with water molecules. (3) The dimension of O 2 -2H 2 interaction structure is smaller than the dimension of CO 2 -2H 2 interaction structure. (4) The escaping energy of oxygen molecules from the hydrate cell is larger than that of the hydrogen molecules. (5) The high affinity of the oxygen molecules with both the water molecules and the hydrogen molecules may promote the stability of oxygen-hydrogen mixture in the clathrate hydrate. Therefore it is possible to store the mixed (O 2 +2H 2 ) cluster in clathrate hydrate. Copyright © 2017 Elsevier Inc. All rights reserved.

  6. Hydrogen-bonded clusters of 1, 1'-ferrocenedicarboxylic acid on Au(111) are initially formed in solution

    Science.gov (United States)

    Quardokus, Rebecca C.; Wasio, Natalie A.; Brown, Ryan D.; Christie, John A.; Henderson, Kenneth W.; Forrest, Ryan P.; Lent, Craig S.; Corcelli, Steven A.; Alex Kandel, S.

    2015-03-01

    Low-temperature scanning tunneling microscopy is used to observe self-assembled structures of ferrocenedicarboxylic acid (Fc(COOH)2) on the Au(111) surface. The surface is prepared by pulse-deposition of Fc(COOH)2 dissolved in methanol, and the solvent is evaporated before imaging. While the rows of hydrogen-bonded dimers that are common for carboxylic acid species are observed, the majority of adsorbed Fc(COOH)2 is instead found in six-molecule clusters with a well-defined and chiral geometry. The coverage and distribution of these clusters are consistent with a random sequential adsorption model, showing that solution-phase species are determinative of adsorbate distribution for this system under these reaction conditions.

  7. Comparison of Hydrogen Elimination from Molecular Zinc and Magnesium Hydride Clusters

    NARCIS (Netherlands)

    Intemann, J.; Sirsch, Peter; Harder, Sjoerd

    2014-01-01

    In analogy to the previously reported tetranuclear magnesium hydride cluster with a bridged dianionic bis-beta-diketiminate ligand, a related zinc hydride cluster has been prepared. The crystal structures of these magnesium and zinc hydride complexes are similar: the metal atoms are situated at the

  8. Phase transition temperatures of 405-725 K in superfluid ultra-dense hydrogen clusters on metal surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Holmlid, Leif, E-mail: holmlid@chem.gu.se [Atmospheric Science, Department of Chemistry, University of Gothenburg, SE-412 96 Göteborg (Sweden); Kotzias, Bernhard [Airbus DS, Department Mechanical Engineering, D28199 Bremen (Germany)

    2016-04-15

    Ultra-dense hydrogen H(0) with its typical H-H bond distance of 2.3 pm is superfluid at room temperature as expected for quantum fluids. It also shows a Meissner effect at room temperature, which indicates that a transition point to a non-superfluid state should exist above room temperature. This transition point is given by a disappearance of the superfluid long-chain clusters H{sub 2N}(0). This transition point is now measured for several metal carrier surfaces at 405 - 725 K, using both ultra-dense protium p(0) and deuterium D(0). Clusters of ordinary Rydberg matter H(l) as well as small symmetric clusters H{sub 4}(0) and H{sub 3}(0) (which do not give a superfluid or superconductive phase) all still exist on the surface at high temperature. This shows directly that desorption or diffusion processes do not remove the long superfluid H{sub 2N}(0) clusters. The two ultra-dense forms p(0) and D(0) have different transition temperatures under otherwise identical conditions. The transition point for p(0) is higher in temperature, which is unexpected.

  9. Hydrogen.

    Science.gov (United States)

    Bockris, John O'M

    2011-11-30

    The idea of a "Hydrogen Economy" is that carbon containing fuels should be replaced by hydrogen, thus eliminating air pollution and growth of CO₂ in the atmosphere. However, storage of a gas, its transport and reconversion to electricity doubles the cost of H₂ from the electrolyzer. Methanol made with CO₂ from the atmosphere is a zero carbon fuel created from inexhaustible components from the atmosphere. Extensive work on the splitting of water by bacteria shows that if wastes are used as the origin of feed for certain bacteria, the cost for hydrogen becomes lower than any yet known. The first creation of hydrogen and electricity from light was carried out in 1976 by Ohashi et al. at Flinders University in Australia. Improvements in knowledge of the structure of the semiconductor-solution system used in a solar breakdown of water has led to the discovery of surface states which take part in giving rise to hydrogen (Khan). Photoelectrocatalysis made a ten times increase in the efficiency of the photo production of hydrogen from water. The use of two electrode cells; p and n semiconductors respectively, was first introduced by Uosaki in 1978. Most photoanodes decompose during the photoelectrolysis. To avoid this, it has been necessary to create a transparent shield between the semiconductor and its electronic properties and the solution. In this way, 8.5% at 25 °C and 9.5% at 50 °C has been reached in the photo dissociation of water (GaP and InAs) by Kainthla and Barbara Zeleney in 1989. A large consortium has been funded by the US government at the California Institute of Technology under the direction of Nathan Lewis. The decomposition of water by light is the main aim of this group. Whether light will be the origin of the post fossil fuel supply of energy may be questionable, but the maximum program in this direction is likely to come from Cal. Tech.

  10. The influence of the small platinum clusters on hydrogen sorption properties

    Science.gov (United States)

    Martyła, Agnieszka; Przekop, R. E.; Osińska-Broniarz, Monika; Kopczyk, M.; Rybka, J. D.; Kirszensztejn, P.

    2017-11-01

    Hydrogen sorption abilities of Pt-B2O3/Al2O3 systems with different molar ratio of oxides obtained by sol-gel method were examined. Platinum was introduced by surface impregnation. Main goal of the research was to check an influence of metallic component (platinum) on sorption properties of B2O3/Al2O3 binary oxides. The oxide systems were characterized using XRD and TEM. Hydrogen adsorption was tested in the volumetric system and TPD measurements were taken. Results show that the amount of adsorbed hydrogen depends not only on the amount of platinum in the system but also on the type of oxide support and mainly on the content of boria.

  11. Thermal Methane Conversion to Syngas Mediated by Rh1-Doped Aluminum Oxide Cluster Cations RhAl3O4.

    Science.gov (United States)

    Li, Ya-Ke; Yuan, Zhen; Zhao, Yan-Xia; Zhao, Chongyang; Liu, Qing-Yu; Chen, Hui; He, Sheng-Gui

    2016-10-05

    Laser ablation generated RhAl 3 O 4 + heteronuclear metal oxide cluster cations have been mass-selected using a quadrupole mass filter and reacted with CH 4 or CD 4 in a linear ion trap reactor under thermal collision conditions. The reactions have been characterized by state-of-the-art mass spectrometry and quantum chemistry calculations. The RhAl 3 O 4 + cluster can activate four C-H bonds of a methane molecule and convert methane to syngas, an important intermediate product in methane conversion to value-added chemicals. The Rh atom is the active site for activation of the C-H bonds of methane. The high electron-withdrawing capability of Rh atom is the driving force to promote the conversion of methane to syngas. The polarity of Rh oxidation state is changed from positive to negative after the reaction. This study has provided the first example of methane conversion to syngas by heteronuclear metal oxide clusters under thermal collision conditions. Furthermore, the molecular level origin has been revealed for the condensed-phase experimental observation that trace amounts of Rh can promote the participation of lattice oxygen of chemically very inert support (Al 2 O 3 ) to oxidize methane to carbon monoxide.

  12. Aluminum-Scandium Alloys: Material Characterization, Friction Stir Welding, and Compatibility With Hydrogen Peroxide (MSFC Center Director's Discretionary Fund Final Report, Proj. No. 04-14)

    Science.gov (United States)

    Lee, J. A.; Chen, P. S.

    2004-01-01

    This Technical Memorandum describes the development of several high-strength aluminum (Al) alloys that are compatible with hydrogen peroxide (H2O2) propellant for NASA Hypersonic-X (Hyper-X) vehicles fuel tanks and structures. The yield strengths for some of these Al-magnesium-based alloys are more than 3 times stronger than the conventional 5254-H112 Al alloy, while maintaining excellent H2O2 compatibility similar to class 1 5254 alloy. The alloy development strategy is to add scandium, zirconium, and other transitional metals with unique electrochemical properties, which will not act as catalysts, to decompose the highly concentrated 90 percent H2O2. Test coupons are machined from sheet metals for H2O2 long-term exposure testing and mechanical properties testing. In addition, the ability to weld the new alloys using friction stir welding has also been explored. The new high-strength alloys could represent an enabling material technology for Hyper-X vehicles, where flight weight reduction is a critical requirement.

  13. Hydrogen

    Directory of Open Access Journals (Sweden)

    John O’M. Bockris

    2011-11-01

    Full Text Available The idea of a “Hydrogen Economy” is that carbon containing fuels should be replaced by hydrogen, thus eliminating air pollution and growth of CO2 in the atmosphere. However, storage of a gas, its transport and reconversion to electricity doubles the cost of H2 from the electrolyzer. Methanol made with CO2 from the atmosphere is a zero carbon fuel created from inexhaustible components from the atmosphere. Extensive work on the splitting of water by bacteria shows that if wastes are used as the origin of feed for certain bacteria, the cost for hydrogen becomes lower than any yet known. The first creation of hydrogen and electricity from light was carried out in 1976 by Ohashi et al. at Flinders University in Australia. Improvements in knowledge of the structure of the semiconductor-solution system used in a solar breakdown of water has led to the discovery of surface states which take part in giving rise to hydrogen (Khan. Photoelectrocatalysis made a ten times increase in the efficiency of the photo production of hydrogen from water. The use of two electrode cells; p and n semiconductors respectively, was first introduced by Uosaki in 1978. Most photoanodes decompose during the photoelectrolysis. To avoid this, it has been necessary to create a transparent shield between the semiconductor and its electronic properties and the solution. In this way, 8.5% at 25 °C and 9.5% at 50 °C has been reached in the photo dissociation of water (GaP and InAs by Kainthla and Barbara Zeleney in 1989. A large consortium has been funded by the US government at the California Institute of Technology under the direction of Nathan Lewis. The decomposition of water by light is the main aim of this group. Whether light will be the origin of the post fossil fuel supply of energy may be questionable, but the maximum program in this direction is likely to come from Cal. Tech.

  14. Regenerable Subnanometer Pd Clusters on Zirconia for Highly Selective Hydrogenation of Biomass-Derived Succinic Acid in Water

    Directory of Open Access Journals (Sweden)

    Chi Zhang

    2016-07-01

    Full Text Available The size of metal particles is an important factor to determine the performance of the supported metal catalysts. In this work, we report subnanometer Pd clusters supported on zirconia by the microwave-assisted hydrothermal method. The presence of subnanometer Pd clusters on the zirconia surface was confirmed by two-dimensional Gaussian-function fits of the aberration-corrected high-angle annual dark-field images. These subnanometer Pd catalysts exhibit high catalytic performance for the hydrogenation of biomass-derived succinic acid to γ-butyrolactone in water and avoid the formation of overhydrogenated products, such as 1,4-butanediol and tetrahydrofuran. The catalyst with an ultra-low Pd loading of 0.2 wt. % demonstrated high selectivity (95% for γ-butyrolactone using water as a solvent at 473 K and 10 MPa. Moreover, it can be reused at least six times without the loss of catalytic activity, illustrating high performance of the small Pd clusters.

  15. Study of Hadronic Jets Produced by Charged Pion and Proton Beams Incident on Hydrogen and Aluminum Targets

    Energy Technology Data Exchange (ETDEWEB)

    Yung, Kar Woo [California Inst. of Technology (CalTech), Pasadena, CA (United States)

    1979-09-19

    High transverse momentum ($P_T$) particles are thought to reflect the underlying parton (quark or gluon) mechanisms of hadron interactions. A particularly simple model by Feynman, Field and Fox (or FFF>, involves hard scattering of a pair of partons via gluon exchange (Quantum Chromodynamics or GCD) with subsequent fragmentation or the partons into hadrons. We present results from an experiment (E260 at Fermilab) on the production of Jets (groups of particles) and single charged particles, at both low and high $P_T$, in 200 Gev interactions. The experiment used a calorimeter triggered multiparticle spectrometer. Results are presented on the comparisons of cross sections and associated charged particle distributions for pion and proton beams and aluminium and hydrogen targets.

  16. clusters

    Indian Academy of Sciences (India)

    2017-09-27

    Sep 27, 2017 ... while CuCoNO, Co3NO, Cu3CoNO, Cu2Co3NO, Cu3Co3NO and Cu6CoNO clusters display stronger chemical stability. Magnetic and electronic properties are also discussed. The magnetic moment is affected by charge transfer and the spd hybridization. Keywords. CumConNO (m + n = 2–7) clusters; ...

  17. Ab initio LCAO-MO cluster-type calculation of the self-consistent electronic screening charge density around a single hydrogen impurity in a nickel crystal

    International Nuclear Information System (INIS)

    Simpson, R.W.; Lane, N.F.; Chaney, R.C.

    1978-01-01

    The electronic structure for a Ni atom cluster embedded in bulk Ni by use of a spin-averaged local exchange SCF Ni crystal potential is calculated with an ab initio LCAO-Mo variational method. A single hydrogen impurity is added at the cluster center (fcc octahedral interstitial site) and the electronic structure computed iteratively until the change in electron density from the pure Ni cluster density is self-consistent. The H-Ni 6 self-consistent density change is compared to the charge density around a free hydrogen atom and to the initial-response density change in H-Ni 14 and H-Ni 38 clusters. 14 references

  18. Resonant electron attachment to mixed hydrogen/oxygen and deuterium/oxygen clusters

    Science.gov (United States)

    Renzler, Michael; Kranabetter, Lorenz; Barwa, Erik; Grubwieser, Lukas; Scheier, Paul; Ellis, Andrew M.

    2017-11-01

    Low energy electron attachment to mixed (H2)x/(O2)y clusters and their deuterated analogs has been investigated for the first time. These experiments were carried out using liquid helium nanodroplets to form the clusters, and the effect of the added electron was then monitored via mass spectrometry. There are some important differences between electron attachment to the pure clusters and to the mixed clusters. A particularly notable feature is the formation of HO2- and H2O- ions from an electron-induced chemical reaction between the two dopants. The chemistry leading to these anions appears to be driven by electron resonances associated with H2 rather than O2. The electron resonances for H2 can lead to dissociative electron attachment (DEA), just as for the free H2 molecule. However, there is evidence that the resonance in H2 can also lead to rapid electron transfer to O2, which then induces DEA of the O2. This kind of excitation transfer has not, as far as we are aware, been reported previously.

  19. Photochemistry of Nitrophenol Molecules and Clusters: Intra- vs Intermolecular Hydrogen Bond Dynamics

    Czech Academy of Sciences Publication Activity Database

    Grygoryeva, Kateřina; Kubečka, J.; Pysanenko, Andriy; Lengyel, Jozef; Slavíček, Petr; Fárník, Michal

    2016-01-01

    Roč. 120, č. 24 (2016), s. 4139-4146 ISSN 1089-5639 R&D Projects: GA ČR(CZ) GA15-12386S Institutional support: RVO:61388955 Keywords : photochemistry * clusters * laser techniques Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.847, year: 2016

  20. Aluminum: Reflective Aluminum Chips

    Energy Technology Data Exchange (ETDEWEB)

    Recca, L.

    1999-01-29

    This fact sheet reveals how the use of reflective aluminum chips on rooftops cuts down significantly on heat absorption, thus decreasing the need for air conditioning. The benefits, including energy savings that could reach the equivalent of 1.3 million barrels of oil annually for approximately 100,000 warehouses, are substantial.

  1. ZnO-dotted porous ZnS cluster microspheres for high efficient, Pt-free photocatalytic hydrogen evolution

    Science.gov (United States)

    Wu, Aiping; Jing, Liqiang; Wang, Jianqiang; Qu, Yang; Xie, Ying; Jiang, Baojiang; Tian, Chungui; Fu, Honggang

    2015-01-01

    The Pt-free photocatalytic hydrogen evolution (PHE) has been the focus in the photocatalysis field. Here, the ZnO-dotted porous ZnS cluster microsphere (PCMS) is designed for high efficient, Pt-free PHE. The PCMS is designed through an easy “controlling competitive reaction” strategy by selecting the thiourea as S2− source and Zn(Ac)2·2H2O as Zn source in ethylene glycol medium. Under suitable conditions, one of the PCMS, named PCMS-1, with high SBET specific area of 194 m2g−1, microsphere size of 100 nm and grain size of 3 nm can be obtained. The formation of PCMS is verified by TEM, XAES, XPS, Raman and IR methods. Importantly, a series of the experiments and theoretical calculation demonstrate that the dotting of ZnO not only makes the photo-generated electrons/hole separate efficiently, but also results in the formation of the active catalytic sites for PHE. As a result, the PCMS-1 shows the promising activity up to 367 μmol h−1 under Pt-free condition. The PHE activity has no obvious change after addition 1 wt.% Pt, implying the presence of active catalytic sites for hydrogen evolution in the PCMS-1. The easy synthesis process, low preparation cost of the PCMS makes their large potential for Pt-free PHE. PMID:25748688

  2. cluster

    Indian Academy of Sciences (India)

    has been investigated electrochemically in positive and negative microenvironments, both in solution and in film. Charge nature around the active centre ... in plants, bacteria and also in mammals. This cluster is also an important constituent of a ..... selection of non-cysteine amino acid in the active centre of Rieske proteins.

  3. Hydrogen generation by aluminum corrosion in aqueous alkaline solutions of inorganic promoters: The AlHidrox process

    International Nuclear Information System (INIS)

    Macanas, Jorge; Soler, Lluis; Candela, Angelica Maria; Munoz, Maria; Casado, Juan

    2011-01-01

    The research of alternative processes to obtain clean fuels has become a main issue because of the concerns related to the current energy system, both from economical and environmental points of view. Hydrogen storage and production methods are being investigated for stationary and portable applications. Up to now, a significant part of H 2 production on demand was thought to be fulfilled by using chemical hydrides, but recent studies have proved the limitations of this approach. Conversely, H 2 production based in the corrosion of light metals in water solutions is an interesting alternative. Among all of them, Al is probably the most adequate metal for energetic purposes due to its high electron density and oxidation potential. But concerning H 2 production from Al corrosion in water, a major issue remains unsolved: metal passivation due to the formation of Al(OH) 3 inhibits H 2 evolution. In this work we show the last results obtained for the generation of H 2 from water using Al powder using diverse alkaline solutions. It is confirmed that corrosion is not affected solely by the solution pH but also by the nature of the ionic species found in the aqueous medium. Moreover, we describe the AlHidrox process, which minimizes Al passivation under mild conditions by the addition of different inorganic salts as corrosion promoters, allowing 100% yields and flow rates up to 2.9 L/min per gram of Al. The feasibility of the process has been regarded in terms of stability (by conducting several successive runs) and self-initiation without an external heating. -- Highlights: → The AlHidrox process minimizes Al passivation by the addition of inorganic salts. → Al corrosion to produce H 2 greatly depends on the nature of the dissolved species. → The maximum flow achieved was 2.9 dm 3 H 2 min -1 .per gram of Al using Fe 2 (SO 4 ) 3 . → We found conditions to start up H 2 generation without external energy input.

  4. Direct experimental evidence for a negative heat capacity in the liquid-to-gas like phase transition in hydrogen cluster ions backbending of the caloric curve

    CERN Document Server

    Gobet, F; Carré, M; Farizon, B; Farizon, M; Gaillard, M J; Maerk, T D; Scheier, P

    2002-01-01

    By (i) selecting specific decay reactions in high energy collisions (60 keV/amu) of hydrogen cluster ions with a helium target (utilizing event-by-event data of a recently developed multi-coincidence experiment) and by (ii) deriving corresponding temperatures for these microcanonical cluster ensembles (analyzing the respective fragment distributions) we are able to construct caloric curves for ii sub 3 sup + (ii sub 2) sub m cluster ions (6 <= m <= 14). All individual curves and the mean of these curves show a backbending in the plateau region thus constituting direct evidence for a negative microcanonical heat capacity in the liquid-to-gas like transition of these finite systems.

  5. DFT studies on catalytic properties of isolated and carbon nanotube supported Pd(9) cluster-I: adsorption, fragmentation and diffusion of hydrogen.

    Science.gov (United States)

    D'Anna, Vincenza; Duca, Dario; Ferrante, Francesco; La Manna, Gianfranco

    2009-05-28

    The processes of adsorption, fragmentation and diffusion of hydrogen on a small palladium cluster have been investigated by means of DFT and DFT/MM approaches. These studies have been performed by considering a D(3h) symmetry Pd(9) in the isolated state as well as when supported on a portion of single-walled armchair(6,6) carbon nanotube. The hydrogen fragmentation process easily occurs on the bare Pd(9) cluster, involving energy barriers of 25-35 kJ mol(-1) and the drop in spin multiplicity on passing from the reactant to the product. The atomic hydrogen diffuses through the cluster atoms with energy barriers, which do not exceed 20 kJ mol(-1), with some positions clearly identifiable as the most stable. In the case of the palladium supported system, which is a better model to simulate experimental conditions, calculations predict that the hydrogen fragmentation barrier is reduced by ca. 15 kJ mol(-1), with respect to that of the unsupported system, while the energetics of the diffusive process is not significantly affected by the support, if the reduction of the number of sites available in the same palladium cluster, as well as their geometry, are taken into account.

  6. Aluminum Hydroxide

    Science.gov (United States)

    Aluminum hydroxide is used for the relief of heartburn, sour stomach, and peptic ulcer pain and to ... Aluminum hydroxide comes as a capsule, a tablet, and an oral liquid and suspension. The dose and ...

  7. Regeneration of aluminum hydride

    Science.gov (United States)

    Graetz, Jason Allan; Reilly, James J.

    2009-04-21

    The present invention provides methods and materials for the formation of hydrogen storage alanes, AlH.sub.x, where x is greater than 0 and less than or equal to 6 at reduced H.sub.2 pressures and temperatures. The methods rely upon reduction of the change in free energy of the reaction between aluminum and molecular H.sub.2. The change in free energy is reduced by lowering the entropy change during the reaction by providing aluminum in a state of high entropy, by increasing the magnitude of the change in enthalpy of the reaction or combinations thereof.

  8. Regeneration of aluminum hydride

    Science.gov (United States)

    Graetz, Jason Allan; Reilly, James J; Wegrzyn, James E

    2012-09-18

    The present invention provides methods and materials for the formation of hydrogen storage alanes, AlH.sub.x, where x is greater than 0 and less than or equal to 6 at reduced H.sub.2 pressures and temperatures. The methods rely upon reduction of the change in free energy of the reaction between aluminum and molecular H.sub.2. The change in free energy is reduced by lowering the entropy change during the reaction by providing aluminum in a state of high entropy, and by increasing the magnitude of the change in enthalpy of the reaction or combinations thereof.

  9. Molecular aluminum hydrides identified by inelastic neutron scattering during H2 regeneration of catalyst-doped NaAlH4.

    Science.gov (United States)

    Fu, Qi Jia; Ramirez-Cuesta, A J; Tsang, Shik Chi

    2006-01-19

    Catalyst-doped sodium aluminum hydrides have been intensively studied as solid hydrogen carriers for onboard proton-exchange membrane (PEM) fuel cells. Although the importance of catalyst choice in enhancing kinetics for both hydrogen uptake and release of this hydride material has long been recognized, the nature of the active species and the mechanism of catalytic action are unclear. We have shown by inelastic neutron scattering (INS) spectroscopy that a volatile molecular aluminum hydride is formed during the early stage of H2 regeneration of a depleted, catalyst-doped sodium aluminum hydride. Computational modeling of the INS spectra suggested the formation of AlH3 and oligomers (AlH3)n (Al2H6, Al3H9, and Al4H12 clusters), which are pertinent to the mechanism of hydrogen storage. This paper demonstrates, for the first time, the existence of these volatile species.

  10. Protonation/reduction dynamics at the [4Fe-4S] cluster of the hydrogen-forming cofactor in [FeFe]-hydrogenases.

    Science.gov (United States)

    Senger, Moritz; Mebs, Stefan; Duan, Jifu; Shulenina, Olga; Laun, Konstantin; Kertess, Leonie; Wittkamp, Florian; Apfel, Ulf-Peter; Happe, Thomas; Winkler, Martin; Haumann, Michael; Stripp, Sven T

    2018-01-31

    The [FeFe]-hydrogenases of bacteria and algae are the most efficient hydrogen conversion catalysts in nature. Their active-site cofactor (H-cluster) comprises a [4Fe-4S] cluster linked to a unique diiron site that binds three carbon monoxide (CO) and two cyanide (CN - ) ligands. Understanding microbial hydrogen conversion requires elucidation of the interplay of proton and electron transfer events at the H-cluster. We performed real-time spectroscopy on [FeFe]-hydrogenase protein films under controlled variation of atmospheric gas composition, sample pH, and reductant concentration. Attenuated total reflection Fourier-transform infrared spectroscopy was used to monitor shifts of the CO/CN - vibrational bands in response to redox and protonation changes. Three different [FeFe]-hydrogenases and several protein and cofactor variants were compared, including element and isotopic exchange studies. A protonated equivalent (HoxH) of the oxidized state (Hox) was found, which preferentially accumulated at acidic pH and under reducing conditions. We show that the one-electron reduced state Hred' represents an intrinsically protonated species. Interestingly, the formation of HoxH and Hred' was independent of the established proton pathway to the diiron site. Quantum chemical calculations of the respective CO/CN - infrared band patterns favored a cysteine ligand of the [4Fe-4S] cluster as the protonation site in HoxH and Hred'. We propose that proton-coupled electron transfer facilitates reduction of the [4Fe-4S] cluster and prevents premature formation of a hydride at the catalytic diiron site. Our findings imply that protonation events both at the [4Fe-4S] cluster and at the diiron site of the H-cluster are important in the hydrogen conversion reaction of [FeFe]-hydrogenases.

  11. Core-electron excitation and fragmentation processes of hydrogen bonded acetic-acid clusters in the oxygen K-edge region

    Energy Technology Data Exchange (ETDEWEB)

    Tabayashi, K., E-mail: kiyotaba@hiroshima-u.ac.jp [Hiroshima University, Higashi-Hiroshima 739-8526 (Japan); Yamamoto, K.; Maruyama, T.; Yoshida, H.; Okada, K. [Hiroshima University, Higashi-Hiroshima 739-8526 (Japan); Tamenori, Y. [JASRI/Spring-8, Hyogo 679-5198 (Japan); Suzuki, I.H. [Photon Factory (PF), KEK, Tsukuba 305-0801 (Japan); Gejo, T.; Honma, K. [University of Hyogo, Hyogo 678-1297 (Japan)

    2011-04-15

    Research highlights: {yields} Core-electron excitation spectra and fragmentation processes of acetic-acid clusters. {yields} O1s(CO) {yields} {pi}*{sub CO} transitions shift by +0.37/-0.92 eV upon cluster formation. {yields} Hydrogen-bond strength of RCOOH clusters determines the cluster-band shift. {yields} We propose 'local-fragmentation' and 'low-energy M{sub n}X{sup +} formation' mechanisms. {yields} Fragmentation after electronic relaxation follows either of these two mechanisms. - Abstract: In order to examine inner-shell electron excitation and induced chemical processes of hydrogen-bonded (HB) molecular clusters, time-of-flight (TOF) fragment-mass and excitation spectra of deuterium-labeled acetic-acid-d (AAD) have been studied under the effusive and cluster beam conditions. With O1s(CO) {yields} {pi}*{sub CO} excitation at 532 eV, the TOF spectra of AAD clusters were compared with those of the free molecule. Transient intensity-enhancement of CH{sub 3}{sup +}/CH{sub 3}CO{sup +} fragments and growth of mixed-cluster cations, M{sub n}D{sup +}/M{sub n}CH{sub 3}CO{sup +} could be ascertained in the cluster beams, where AAD molecule is denoted by M. Cluster-specific excitation spectra have been generated by monitoring partial-ion-yields of the mixed-cluster cations. Resonance transitions of O1s(CO/OH) {yields} {pi}*{sub CO} were found to shift in energy by +0.37/-0.92 eV upon cluster formation. The production of M{sub n}D{sup +} can be attributed to a low-energy pathway of deuteron (proton) transfer following fast electronic decays within the clusters made up of a stable dimer-unit with doubly-bridged HBs. The CH{sub 3}{sup +}/CH{sub 3}CO{sup +} intensity variation in beam stagnation pressure clearly shows that a local-fragmentation mechanism as previously proposed is also applicable to the fragmentation processes of the small AAD clusters.

  12. Experimental and theoretical investigations of energy transfer and hydrogen-bond breaking in small water and HCl clusters.

    Science.gov (United States)

    Samanta, Amit K; Czakó, Gábor; Wang, Yimin; Mancini, John S; Bowman, Joel M; Reisler, Hanna

    2014-08-19

    Water is one of the most pervasive molecules on earth and other planetary bodies; it is the molecule that is searched for as the presumptive precursor to extraterrestrial life. It is also the paradigm substance illustrating ubiquitous hydrogen bonding (H-bonding) in the gas phase, liquids, crystals, and amorphous solids. Moreover, H-bonding with other molecules and between different molecules is of the utmost importance in chemistry and biology. It is no wonder, then, that for nearly a century theoreticians and experimentalists have tried to understand all aspects of H-bonding and its influence on reactivity. It is somewhat surprising, therefore, that several fundamental aspects of H-bonding that are particularly important for benchmarking theoretical models have remained unexplored experimentally. For example, even the binding strength between two gas-phase water molecules has never been determined with sufficient accuracy for comparison with high-level electronic structure calculations. Likewise, the effect of cooperativity (nonadditivity) in small H-bonded networks is not known with sufficient accuracy. An even greater challenge for both theory and experiment is the description of the dissociation dynamics of H-bonded small clusters upon acquiring vibrational excitation. This is because of the long lifetimes of many clusters, which requires running classical trajectories for many nanoseconds to achieve dissociation. In this Account, we describe recent progress and ongoing research that demonstrates how the combined and complementary efforts of theory and experiment are enlisted to determine bond dissociation energies (D0) of small dimers and cyclic trimers of water and HCl with unprecedented accuracy, describe dissociation dynamics, and assess the effects of cooperativity. The experimental techniques rely on IR excitation of H-bonded X-H stretch vibrations, measuring velocity distributions of fragments in specific rovibrational states, and determining product

  13. Temperature and Size Dependence of Characteristic Hydrogen-Bonded Network Structures with Ion Core Switching in Protonated (Methanol)6-10-(Water)1Mixed Clusters: A Revisit.

    Science.gov (United States)

    Katada, Marusu; Hsu, Po-Jen; Fujii, Asuka; Kuo, Jer-Lai

    2017-07-27

    Hydrogen-bonded network structures and preferential ion core in the protonated methanol-water mixed clusters, H + (methanol) n -(water) 1 (n = 6-10), were explored by a combination of infrared spectroscopy and theoretical calculations. Infrared spectra of the OH stretch region of the clusters were measured at the two different temperature ranges by using Ar-tagging. Stable isomer structures of the clusters were searched by the multiscale modeling approach and temperature dependent infrared spectra were simulated based on the statistical populations of the isomers. The combined experimental and theoretical studies revealed that the characteristic multiring structures begin to form at n = 7 under the low temperature condition and they are preferential at the wide temperature range in n ≥ 8. It was also demonstrated that the preferential ion core type changes from methanol (MeOH 2 + ) to water (H 3 O + ) with increasing cluster size. In n ≤ 8, the observed infrared spectral features partly depend on the monitoring vibrational predissociation channel, and weak correlations between the hydrogen-bonded network structure and preferential dissociation channels were suggested. However, the ion core type does not necessarily correlate to the preferential dissociation channel. This implies that large rearrangement of the hydrogen-bonded network structure occurs prior to the dissociation.

  14. Investigation of glutathione-derived electrostatic and hydrogen-bonding interactions and their role in defining Grx5 [2Fe-2S] cluster optical spectra and transfer chemistry.

    Science.gov (United States)

    Sen, Sambuddha; Bonfio, Claudia; Mansy, Sheref S; Cowan, J A

    2018-03-01

    Human glutaredoxin 5 (Grx5) is one of the core components of the Isc (iron-sulfur cluster) assembly and trafficking machinery, and serves as an intermediary cluster carrier, putatively delivering cluster from the Isu scaffold protein to target proteins. The tripeptide glutathione is intimately involved in this role, providing cysteinyl coordination to the iron center of the Grx5-bound [2Fe-2S] cluster. Grx5 has a well-defined glutathione-binding pocket with protein amino acid residues providing many ionic and hydrogen binding contacts to the bound glutathione. In this report, we investigated the importance of these interactions in cluster chirality and exchange reactivity by systematically perturbing the crucial contacts by use of natural and non-natural amino acid substitutions to disrupt the binding contacts from both the protein and glutathione. Native Grx5 could be reconstituted with all of the glutathione analogs used, as well as other thiol ligands, such as DTT or L-cysteine, by in vitro chemical reconstitution, and the holo proteins were found to transfer [2Fe-2S] cluster to apo ferredoxin 1 at comparable rates. However, the circular dichroism spectra of these derivatives displayed prominent differences that reflect perturbations in local cluster chirality. These studies provided a detailed molecular understanding of glutathione-protein interactions in holo Grx5 that define both cluster spectroscopy and exchange chemistry.

  15. Metalloid Aluminum Clusters with Fluorine

    Science.gov (United States)

    2016-12-01

    FLUORINE by Nape D. Lentsoane December 2016 Thesis Advisor: Joseph Hooper Second Reader: James Luscombe THIS PAGE INTENTIONALLY LEFT BLANK i......contains significant amounts of fluorine . The fluorine can, in principle, oxidize the metallic elements, resulting in a system much like organic

  16. Isotope dependent, temperature regulated, energy repartitioning in a low-barrier, short-strong hydrogen bonded cluster

    NARCIS (Netherlands)

    Li, X. H.; Oomens, J.; Eyler, J. R.; Moore, D. T.; Iyengar, S. S.

    2010-01-01

    We investigate and analyze the vibrational properties, including hydrogen/deuterium isotope effects, in a fundamental organic hydrogen bonded system using multiple experimental (infrared multiple photon dissociation and argon-tagged action spectroscopy) and computational techniques. We note a

  17. Closo-alanes (Al4H4, AlnHn+2, 4 aluminum hydride chemistry.

    Science.gov (United States)

    Grubisic, A; Li, X; Stokes, S T; Cordes, J; Ganteför, G F; Bowen, K H; Kiran, B; Jena, P; Burgert, R; Schnöckel, H

    2007-05-09

    Anion photoelectron spectroscopy and density functional theory were employed to study aluminum hydride clusters, AlnHm- (4 aluminum versions of hypothetical diprotonated closo-borane dianions (BnHn2- + 2H+). In addition, Al4H4 assumes a closo-tetrahedral geometry, while Al4H6 takes on a distorted tetrahedral (D2d) structure with two counter-positioned bridging hydrogen atoms and has the largest HOMO-LUMO gap (1.9 eV) of all the alanes we studied. All of these species can be understood in terms of underlying polyhedral skeletal electron pair theory (PSEPT) concepts. Although, the herein studied alanes do not have direct borane analogues, the ability to understand their structures in terms of the Wade-Mingos rules and the underlying PSEPT concepts suggests that they can be considered as borane analogues, thereby opening a new chapter in aluminum hydride chemistry.

  18. Luminescent properties of aluminum hydride

    Energy Technology Data Exchange (ETDEWEB)

    Baraban, A.P.; Gabis, I.E.; Dmitriev, V.A. [Saint-Petersburg State University, Department of Physics, Saint-Petersburg 198504 (Russian Federation); Dobrotvorskii, M.A., E-mail: mstislavd@gmail.com [Saint-Petersburg State University, Department of Physics, Saint-Petersburg 198504 (Russian Federation); Kuznetsov, V.G. [Saint-Petersburg State University, Department of Physics, Saint-Petersburg 198504 (Russian Federation); Matveeva, O.P. [National Mineral Resources University, Saint Petersburg 199106 (Russian Federation); Titov, S.A. [Petersburg State University of Railway Transport, Saint-Petersburg 190031 (Russian Federation); Voyt, A.P.; Elets, D.I. [Saint-Petersburg State University, Department of Physics, Saint-Petersburg 198504 (Russian Federation)

    2015-10-15

    We studied cathodoluminescence and photoluminescence of α-AlH{sub 3}– a likely candidate for use as possible hydrogen carrier in hydrogen-fueled vehicles. Luminescence properties of original α-AlH{sub 3} and α-AlH{sub 3} irradiated with ultraviolet were compared. The latter procedure leads to activation of thermal decomposition of α-AlH{sub 3} and thus has a practical implementation. We showed that the original and UV-modified aluminum hydride contain luminescence centers ‐ structural defects of the same type, presumably hydrogen vacancies, characterized by a single set of characteristic bands of radiation. The observed luminescence is the result of radiative intracenter relaxation of the luminescence center (hydrogen vacancy) excited by electrons or photons, and its intensity is defined by the concentration of vacancies, and the area of their possible excitation. UV-activation of the dehydrogenation process of aluminum hydride leads to changes in the spatial distribution of the luminescence centers. For short times of exposure their concentration increases mainly in the surface regions of the crystals. At high exposures, this process extends to the bulk of the aluminum hydride and ends with a decrease in concentration of luminescence centers in the surface region. - Highlights: • Aluminum hydride contains hydrogen vacancies which serve as luminescence centers. • The luminescence is the result of radiative relaxation of excited centers. • Hydride UV-irradiation alters distribution and concentration of luminescence centers.

  19. A new class of cuprous bromide cluster-based hybrid materials: direct observation of the stepwise replacement of hydrogen bonds by coordination bonds.

    Science.gov (United States)

    Zhang, Xian-Ming; Hou, Juan-Juan; Guo, Cai-Hong; Li, Chun-Fang

    2015-01-20

    Although a variety of functional metal-organic frameworks (MOFs) have been synthesized, post-modified, and applied in various areas, there is little knowledge about how molecular cluster building units are stepwise evolved into MOFs via intermediates. Coordination bonds are generally stronger than hydrogen bonds, and thus equivalent replacement of X-H···Y hydrogen bonds by X-M-Y coordination bonds can transform hydrogen bond networks into MOFs. In this work, solvothermal in situ reduction reactions of CuBr2 and 1,4-diazoniabicyclo[2,2,2]octane (DABCO) generated a myriad of tunable photoluminescent cuprous body-centered cubic bromide cluster-based networks with the general formula [Cu4+xH4-xBr6(DABCO)4](HCO2)2·S (x = 0, 0.56, 0.81, 1.27, 1.39, 2.56, 2.78, and 4 for compounds 1-8, respectively). All of these compounds crystallize in the cubic space group with the largest volume difference being only 5.2%, but they belong to three remarkably different kinds of crystals. Complex 1 is a molecular crystal and consists of tetrahedral [Cu4Br6(HDABCO)4](2+) clusters with monodentate HDABCO groups that are supported via N-H···Br synthons in the hydrogen bond network. Compound 8 is a [Cu8Br6](2+) cube cluster-based MOF with bridged DABCO ligands. Complexes 2-7 are seemingly impossible Cu/H-substituted solid solutions of 1 and 8. The CuBr framework components in 1-8 are Cu4Br6, Cu4.56Br6, Cu4.81Br6, Cu5.27Br6, Cu5.39Br6, Cu6.56Br6, Cu6.78Br6, and Cu8Br6, respectively. Crystallization kinetics studies revealed that the [Cu4Br6(HDABCO)4](2+) cluster-based hydrogen bond network (1) was initially formed such that N-H···Br hydrogen bonds could be stepwise replaced by N-Cu-Br coordination bonds to form the [Cu8Br6](2+) cube cluster-based MOF (8) via solid solutions. These observations directly reveal the equivalence and transformation between the N-H···Br hydrogen bond and the N-Cu-Br coordination bond and the evolutionary mechanism of a molecular crystal to a MOF via

  20. Evaluation of aluminum sulfate (alum) as a feedlot surface amendment to reduce ammonia, hydrogen sulfide, and greenhouse gas emissions from beef feedlots

    Science.gov (United States)

    Ammonia (NH3) and greenhouse gas (GHG) emissions from concentrated feeding operations are a concern. The poultry industry has successfully used aluminum sulfate (Alum) as a litter amendment to reduce NH3 emissions from poultry barns. Alum has not been evaluated for similar uses on cattle feedlot sur...

  1. Hydrolysis of aluminum dross material to achieve zero hazardous waste

    Energy Technology Data Exchange (ETDEWEB)

    David, E., E-mail: david@icsi.ro [National Institute for Research and Development for Cryogenic and Isotopic Technologies, P.O Raureni, P.O. Box 7, 240050 Rm. Valcea (Romania); Kopac, J., E-mail: Janez.Kopac@fs.uni-lj.si [University of Ljubljana, Faculty of Mechanical Engineering, Askerceva 6, P.O. Box 394, 1000 Ljubljana (Slovenia)

    2012-03-30

    Highlights: Black-Right-Pointing-Pointer The hydrolysis of aluminum dross in tap water generates pure hydrogen. Black-Right-Pointing-Pointer Aluminum particles from dross are activated by mechanically milling technique. Black-Right-Pointing-Pointer The process is completely greenhouse gases free and is cleanly to environment. Black-Right-Pointing-Pointer Hydrolysis process leads to recycling of waste aluminum by hydrogen production. - Abstract: A simple method with high efficiency for generating high pure hydrogen by hydrolysis in tap water of highly activated aluminum dross is established. Aluminum dross is activated by mechanically milling to particles of about 45 {mu}m. This leads to removal of surface layer of the aluminum particles and creation of a fresh chemically active metal surface. In contact with water the hydrolysis reaction takes place and hydrogen is released. In this process a Zero Waste concept is achieved because the other product of reaction is aluminum oxide hydroxide (AlOOH), which is nature-friendly and can be used to make high quality refractory or calcium aluminate cement. For comparison we also used pure aluminum powder and alkaline tap water solution (NaOH, KOH) at a ratio similar to that of aluminum dross content. The rates of hydrogen generated in hydrolysis reaction of pure aluminum and aluminum dross have been found to be similar. As a result of the experimental setup, a hydrogen generator was designed and assembled. Hydrogen volume generated by hydrolysis reaction was measured. The experimental results obtained reveal that aluminum dross could be economically recycled by hydrolysis process with achieving zero hazardous aluminum dross waste and hydrogen generation.

  2. Hydrolysis of aluminum dross material to achieve zero hazardous waste

    International Nuclear Information System (INIS)

    David, E.; Kopac, J.

    2012-01-01

    Highlights: ► The hydrolysis of aluminum dross in tap water generates pure hydrogen. ► Aluminum particles from dross are activated by mechanically milling technique. ► The process is completely greenhouse gases free and is cleanly to environment. ► Hydrolysis process leads to recycling of waste aluminum by hydrogen production. - Abstract: A simple method with high efficiency for generating high pure hydrogen by hydrolysis in tap water of highly activated aluminum dross is established. Aluminum dross is activated by mechanically milling to particles of about 45 μm. This leads to removal of surface layer of the aluminum particles and creation of a fresh chemically active metal surface. In contact with water the hydrolysis reaction takes place and hydrogen is released. In this process a Zero Waste concept is achieved because the other product of reaction is aluminum oxide hydroxide (AlOOH), which is nature-friendly and can be used to make high quality refractory or calcium aluminate cement. For comparison we also used pure aluminum powder and alkaline tap water solution (NaOH, KOH) at a ratio similar to that of aluminum dross content. The rates of hydrogen generated in hydrolysis reaction of pure aluminum and aluminum dross have been found to be similar. As a result of the experimental setup, a hydrogen generator was designed and assembled. Hydrogen volume generated by hydrolysis reaction was measured. The experimental results obtained reveal that aluminum dross could be economically recycled by hydrolysis process with achieving zero hazardous aluminum dross waste and hydrogen generation.

  3. The Assessment of Hydrogen Energy Systems for Fuel Cell Vehicles Using Principal Component Analysis and Cluster Analysis

    OpenAIRE

    Ren, Jing-Zheng; Tan, Shi-yu; Dong, Li-chun

    2012-01-01

    Hydrogen energy which has been recognized as an alternative instead of fossil fuel has been developed rapidly in fuel cell vehicles. Different hydrogen energy systems have different performances on environmental, economic, and energy aspects. A methodology for the quantitative evaluation and analysis of the hydrogen systems is meaningful for decision makers to select the best scenario. principal component analysis (PCA) has been used to evaluate the integrated performance of different hydroge...

  4. Use of low-cost aluminum in electric energy production

    Science.gov (United States)

    Zhuk, Andrey Z.; Sheindlin, Alexander E.; Kleymenov, Boris V.; Shkolnikov, Eugene I.; Lopatin, Marat Yu.

    Suppression of the parasitic corrosion while maintaining the electrochemical activity of the anode metal is one of the serious problems that affects the energy efficiency of aluminum-air batteries. The need to use high-purity aluminum or special aluminum-based alloys results in a significant increase in the cost of the anode, and thus an increase in the total cost of energy generated by the aluminum-air battery, which narrows the range of possible applications for this type of power source. This study considers the process of parasitic corrosion as a method for hydrogen production. Hydrogen produced in an aluminum-air battery by this way may be further employed in a hydrogen-air fuel cell (Hy-air FC) or in a heat engine, or it may be burnt to generate heat. Therefore, anode materials may be provided by commercially pure aluminum, commercially produced aluminum alloys, and secondary aluminum. These materials are much cheaper and more readily available than special anode alloys of aluminum and high-purity aluminum. The aim of present study is to obtain experimental data for comparison of energy and cost parameters of some commercially produced aluminum alloys, of high-purity aluminum, and of a special Al-ln anode alloy in the context of using these materials as anodes for an Al-air battery and for combined production of electrical power and hydrogen.

  5. Aluminum Analysis.

    Science.gov (United States)

    Sumrall, William J.

    1998-01-01

    Presents three problems based on the price of aluminum designed to encourage students to be cooperative and to use an investigative approach to learning. Students collect and synthesize information, analyze results, and draw conclusions. (AIM)

  6. Deletion of a gene cluster for [Ni-Fe] hydrogenase maturation in the anaerobic hyperthermophilic bacterium Caldicellulosiruptor bescii identifies its role in hydrogen metabolism.

    Science.gov (United States)

    Cha, Minseok; Chung, Daehwan; Westpheling, Janet

    2016-02-01

    The anaerobic, hyperthermophlic, cellulolytic bacterium Caldicellulosiruptor bescii grows optimally at ∼80 °C and effectively degrades plant biomass without conventional pretreatment. It utilizes a variety of carbohydrate carbon sources, including both C5 and C6 sugars, released from plant biomass and produces lactate, acetate, CO2, and H2 as primary fermentation products. The C. bescii genome encodes two hydrogenases, a bifurcating [Fe-Fe] hydrogenase and a [Ni-Fe] hydrogenase. The [Ni-Fe] hydrogenase is the most widely distributed in nature and is predicted to catalyze hydrogen production and to pump protons across the cellular membrane creating proton motive force. Hydrogenases are the key enzymes in hydrogen metabolism and their crystal structure reveals complexity in the organization of their prosthetic groups suggesting extensive maturation of the primary protein. Here, we report the deletion of a cluster of genes, hypABFCDE, required for maturation of the [Ni-Fe] hydrogenase. These proteins are specific for the hydrogenases they modify and are required for hydrogenase activity. The deletion strain grew more slowly than the wild type or the parent strain and produced slightly less hydrogen overall, but more hydrogen per mole of cellobiose. Acetate yield per mole of cellobiose was increased ∼67 % and ethanol yield per mole of cellobiose was decreased ∼39 %. These data suggest that the primary role of the [Ni-Fe] hydrogenase is to generate a proton gradient in the membrane driving ATP synthesis and is not the primary enzyme for hydrogen catalysis. In its absence, ATP is generated from increased acetate production resulting in more hydrogen produced per mole of cellobiose.

  7. Carrier gas effects on aluminum-catalyzed nanowire growth

    International Nuclear Information System (INIS)

    Ke, Yue; Hainey, Mel Jr; Won, Dongjin; Weng, Xiaojun; Eichfeld, Sarah M; Redwing, Joan M

    2016-01-01

    Aluminum-catalyzed silicon nanowire growth under low-pressure chemical vapor deposition conditions requires higher reactor pressures than gold-catalyzed growth, but the reasons for this difference are not well understood. In this study, the effects of reactor pressure and hydrogen partial pressure on silicon nanowire growth using an aluminum catalyst were studied by growing nanowires in hydrogen and hydrogen/nitrogen carrier gas mixtures at different total reactor pressures. Nanowires grown in the nitrogen/hydrogen mixture have faceted catalyst droplet tips, minimal evidence of aluminum diffusion from the tip down the nanowire sidewalls, and significant vapor–solid deposition of silicon on the sidewalls. In comparison, wires grown in pure hydrogen show less well-defined tips, evidence of aluminum diffusion down the nanowire sidewalls at increasing reactor pressures and reduced vapor–solid deposition of silicon on the sidewalls. The results are explained in terms of a model wherein the hydrogen partial pressure plays a critical role in aluminum-catalyzed nanowire growth by controlling hydrogen termination of the silicon nanowire sidewalls. For a given reactor pressure, increased hydrogen partial pressures increase the extent of hydrogen termination of the sidewalls which suppresses SiH 4 adsorption thereby reducing vapor–solid deposition of silicon but increases the surface diffusion length of aluminum. Conversely, lower hydrogen partial pressures reduce the hydrogen termination and also increase the extent of SiH 4 gas phase decomposition, shifting the nanowire growth window to lower growth temperatures and silane partial pressures. (paper)

  8. Hydrogen evolution reaction catalyst

    Science.gov (United States)

    Subbaraman, Ram; Stamenkovic, Vojislav; Markovic, Nenad; Tripkovic, Dusan

    2016-02-09

    Systems and methods for a hydrogen evolution reaction catalyst are provided. Electrode material includes a plurality of clusters. The electrode exhibits bifunctionality with respect to the hydrogen evolution reaction. The electrode with clusters exhibits improved performance with respect to the intrinsic material of the electrode absent the clusters.

  9. Mass analyzed threshold ionization of hydrogen bonded clusters of biological molecules: the 3-methylindole{center_dot}C{sub 6}H{sub 6} complex

    Energy Technology Data Exchange (ETDEWEB)

    Georgiev, S. [Physikalische und Theoretische Chemie, Technische Universitaet Muenchen, Lichtenbergstrasse 4, D-85748 Garching (Germany); Neusser, H.J. [Physikalische und Theoretische Chemie, Technische Universitaet Muenchen, Lichtenbergstrasse 4, D-85748 Garching (Germany)]. E-mail: neusser@ch.tum.de

    2005-03-01

    The mass analyzed threshold ionization (MATI) technique has been used for measuring the adiabatic ionization energy of the 3-methylindole{center_dot}C{sub 6}H{sub 6} cluster (58 018 cm{sup -1}) and the binding energies in its ground ionic (4448 cm{sup -1}) and ground neutral state (1775 cm{sup -1}). We compare our results with those recently obtained for the 3-methylindole{center_dot}H{sub 2}O and the indole{center_dot}C{sub 6}H{sub 6} cluster. The small influence of methylation on the binding energies confirms the {pi}-hydrogen bonding character in the 3-methylindole{center_dot}C{sub 6}H{sub 6} complex.

  10. Pore Formation During Solidification of Aluminum: Reconciliation of Experimental Observations, Modeling Assumptions, and Classical Nucleation Theory

    Science.gov (United States)

    Yousefian, Pedram; Tiryakioğlu, Murat

    2018-02-01

    An in-depth discussion of pore formation is presented in this paper by first reinterpreting in situ observations reported in the literature as well as assumptions commonly made to model pore formation in aluminum castings. The physics of pore formation is reviewed through theoretical fracture pressure calculations based on classical nucleation theory for homogeneous and heterogeneous nucleation, with and without dissolved gas, i.e., hydrogen. Based on the fracture pressure for aluminum, critical pore size and the corresponding probability of vacancies clustering to form that size have been calculated using thermodynamic data reported in the literature. Calculations show that it is impossible for a pore to nucleate either homogeneously or heterogeneously in aluminum, even with dissolved hydrogen. The formation of pores in aluminum castings can only be explained by inflation of entrained surface oxide films (bifilms) under reduced pressure and/or with dissolved gas, which involves only growth, avoiding any nucleation problem. This mechanism is consistent with the reinterpretations of in situ observations as well as the assumptions made in the literature to model pore formation.

  11. Technology of welding aluminum alloys-III

    Science.gov (United States)

    Harrison, J. R.; Kor, L. J.; Oleksiak, C. E.

    1978-01-01

    Control of porosity in weld beads was major objective in development of aluminum welding program. Porosity, most difficult defect to control, is caused by hydrogen gas unable to escape during solidification. Hard tooling allows hotter bead than free-fall tooling so hydrogen bubbles can boil out instead of forming pores. Welding position, moisture, and cleanliness are other important factors in control of porosity.

  12. Rhodium based clusters for oxygen reduction and hydrogen oxidation in 0.5 M H2SO4, tolerant to methanol and carbon monoxide, respectively

    Energy Technology Data Exchange (ETDEWEB)

    Uribe-Godinez, J.; Jimenez-Sandoval, O.; Borja-Arco, E.; Altamirano-Gutierrez, A. [Centro de Investigacion y de Estudios Avanzados del Instituto Politecnico Nacional, Queritaro (Mexico); Castellanos, R.H. [Centro de Investigacion en Ciencia Aplicada y Tecnologia Avanzada-Queretaro, Queretaro (Mexico)

    2008-07-01

    Rhodium (Rh6(CO)16) and novel Rh-based clusters were prepared using thermolysis techniques under different conditions in N2 and H2 reaction media, as well as in n-nonane, o-xylene, 1,2-dichlorobenzene and dimethylsulfoxide. The clusters were used as novel electrocatalysts for oxygen reduction reaction (ORR) in the absence and presence of 1.0 and 2.0 M methanol solutions. The catalysts were also used for hydrogen oxidation reaction (HOR) with pure hydrogen (H2) and in the presence of carbon monoxide (CO). Rotating disk electrode measurements were used to analyze the materials. The study showed that the electrocatalyst support ratio plays a significant role in the electrochemical behaviour of the materials. Rh6(CO)16 and Rh2(1,2-DCB) presented the best electrocatalytic behaviour for ORR and HOR in the absence and presence of methanol and CO. The study demonstrated that the rhodium-based materials are capable of performing ORR and HOR while being tolerant of both methanol and CO. 3 refs., 3 figs.

  13. 14N and 17O electric field gradient tensors in benzamide clusters: Theoretical evidence for cooperative and electronic delocalization effects in N H⋯O hydrogen bonding

    Science.gov (United States)

    Esrafili, Mehdi D.; Behzadi, Hadi; Hadipour, Nasser L.

    2008-06-01

    Nuclear quadrupole coupling tensors of 14N and 17O nuclei in benzamide clusters (up to n = 6) were calculated via density functional theory. Results revealed that N-H⋯O hydrogen bonds around the benzamide molecule in crystalline lattice have significant influence on 14N and 17O nuclear quadrupole coupling tensors. n-dependent trend in 14N quadrupole coupling tensors significantly correlates with cooperative effects of R(N-H⋯O) hydrogen bond distance. Natural bonding orbital analysis, NBO, was used to rationalize the quadrupole coupling results in terms of substantial n→σN-H∗ charge transfer in (benzamide) n=1-6 clusters. It was found that intermolecular n→σN-H∗ interactions play a key role in cooperative change of 14N and 17O quadrupole coupling tensors. There is an acceptable linear correlation between 14N or 17O quadrupole coupling tensors with strength of Fock matrix elements (Fij). This suggests that both 14N and 17O quadrupole coupling measurements can provide a useful probe for electron delocalization effects in both gaseous and condensed media.

  14. Concerted Use of Slab and Cluster Models in an ab initio Study of Hydrogen Desorption from the Si(100) Surface

    Czech Academy of Sciences Publication Activity Database

    Steckel, J. A.; Phung, T.; Jordan, K. D.; Nachtigall, Petr

    2001-01-01

    Roč. 105, č. 18 (2001), s. 4031-4038 ISSN 1089-5647 Institutional research plan: CEZ:AV0Z4040901 Keywords : silicon * surface * hydrogen Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.379, year: 2001

  15. Para-hydrogen and helium cluster size distributions in free jet expansions based on Smoluchowski theory with kernel scaling.

    Science.gov (United States)

    Kornilov, Oleg; Toennies, J Peter

    2015-02-21

    The size distribution of para-H2 (pH2) clusters produced in free jet expansions at a source temperature of T0 = 29.5 K and pressures of P0 = 0.9-1.96 bars is reported and analyzed according to a cluster growth model based on the Smoluchowski theory with kernel scaling. Good overall agreement is found between the measured and predicted, Nk = A k(a) e(-bk), shape of the distribution. The fit yields values for A and b for values of a derived from simple collision models. The small remaining deviations between measured abundances and theory imply a (pH2)k magic number cluster of k = 13 as has been observed previously by Raman spectroscopy. The predicted linear dependence of b(-(a+1)) on source gas pressure was verified and used to determine the value of the basic effective agglomeration reaction rate constant. A comparison of the corresponding effective growth cross sections σ11 with results from a similar analysis of He cluster size distributions indicates that the latter are much larger by a factor 6-10. An analysis of the three body recombination rates, the geometric sizes and the fact that the He clusters are liquid independent of their size can explain the larger cross sections found for He.

  16. Para-hydrogen and helium cluster size distributions in free jet expansions based on Smoluchowski theory with kernel scaling

    Energy Technology Data Exchange (ETDEWEB)

    Kornilov, Oleg; Toennies, J. Peter [Max-Planck-Institut für Dynamik und Selbstorganisation, Am Fassberg 17, 37077 Göttingen (Germany)

    2015-02-21

    The size distribution of para-H{sub 2} (pH{sub 2}) clusters produced in free jet expansions at a source temperature of T{sub 0} = 29.5 K and pressures of P{sub 0} = 0.9–1.96 bars is reported and analyzed according to a cluster growth model based on the Smoluchowski theory with kernel scaling. Good overall agreement is found between the measured and predicted, N{sub k} = A k{sup a} e{sup −bk}, shape of the distribution. The fit yields values for A and b for values of a derived from simple collision models. The small remaining deviations between measured abundances and theory imply a (pH{sub 2}){sub k} magic number cluster of k = 13 as has been observed previously by Raman spectroscopy. The predicted linear dependence of b{sup −(a+1)} on source gas pressure was verified and used to determine the value of the basic effective agglomeration reaction rate constant. A comparison of the corresponding effective growth cross sections σ{sub 11} with results from a similar analysis of He cluster size distributions indicates that the latter are much larger by a factor 6-10. An analysis of the three body recombination rates, the geometric sizes and the fact that the He clusters are liquid independent of their size can explain the larger cross sections found for He.

  17. Cross section measurements of the processes occurring in the fragmentation of Hn+ (3 ≤ n ≤ 35) hydrogen clusters induced by high speed (60 keV/u) collisions on helium atoms

    International Nuclear Information System (INIS)

    Louc, Sandrine

    1997-01-01

    Different processes involved in the fragmentation of ionised hydrogen clusters H 3 + (H 2 ) (n-3)/2 (n = 5-35) have been studied in the same experiment: the fragmentation of the cluster is induced by the collision with an helium atom at high velocity (≅ c/100). The collision is realised in reversed kinematic - clusters are accelerated - which allows the detection of neutral and charged fragments. The different channels of fragmentation are identified by using coincidence techniques. For all the cluster sizes studied the capture cross sections of one electron of the target by the cluster is equal to the capture cross section of the H 3 + ion. In the same way, the dissociation cross section of the H 3 + core of the cluster does not depend on cluster size. These fragmentation processes are due to the interaction of H 3 + core of the cluster and the helium atom without ionization of another component of the cluster. On the contrary, the cross sections of loss of one, two and three molecules by the cluster and the dissociation cross section of the cluster in all its molecular components depends strongly on the cluster size. This dependence is different from the one measured for the metastable decay of the cluster. Thus, the process of loss of molecules induced by a collision should correspond to a different dissociation mechanism. In regard of the singularities observed for the size dependence, the H 9 + , H 15 + , H 19 + and H 29 + clusters could be the 'core' of the biggest clusters. These observation are in agreement with the size effects of smaller magnitude observed for the dissociation cross section (all the processes). The values of the cross section for the process of at least one ionization of the cluster indicate that about 80% of the fragmentation events result from this process. (author)

  18. Preparation of gold-containing binary metal clusters by co-deposition-precipitation method and for hydrogenation of chloronitrobenzene

    OpenAIRE

    Ya-Ting Tsu; Yu-Wen Chen

    2017-01-01

    Nano-gold catalyst has been reported to have high activity and selectivity for liquid phase hydrogenation reaction. In this study, gold-containing bimetals were loaded on TiO2. For bimetallic catalysts, gold and different metals were prepared by the deposition-precipitation method, and then used NaBH4 to reduce metal cations. The catalysts were characterized by X-ray diffraction, transmission electron microscopy, high resolution transmission electron microscopy, and X-ray photoelectron spectr...

  19. Directly relating gas-phase cluster measurements to solution-phase hydrolysis, the absolute standard hydrogen electrode potential, and the absolute proton solvation energy.

    Science.gov (United States)

    Donald, William A; Leib, Ryan D; O'Brien, Jeremy T; Williams, Evan R

    2009-06-08

    Solution-phase, half-cell potentials are measured relative to other half-cell potentials, resulting in a thermochemical ladder that is anchored to the standard hydrogen electrode (SHE), which is assigned an arbitrary value of 0 V. A new method for measuring the absolute SHE potential is demonstrated in which gaseous nanodrops containing divalent alkaline-earth or transition-metal ions are reduced by thermally generated electrons. Energies for the reactions 1) M(H(2)O)(24)(2+)(g) + e(-)(g)-->M(H(2)O)(24)(+)(g) and 2) M(H(2)O)(24)(2+)(g) + e(-)(g)-->MOH(H(2)O)(23)(+)(g) + H(g) and the hydrogen atom affinities of MOH(H(2)O)(23)(+)(g) are obtained from the number of water molecules lost through each pathway. From these measurements on clusters containing nine different metal ions and known thermochemical values that include solution hydrolysis energies, an average absolute SHE potential of +4.29 V vs. e(-)(g) (standard deviation of 0.02 V) and a real proton solvation free energy of -265 kcal mol(-1) are obtained. With this method, the absolute SHE potential can be obtained from a one-electron reduction of nanodrops containing divalent ions that are not observed to undergo one-electron reduction in aqueous solution.

  20. Preparation of gold-containing binary metal clusters by co-deposition-precipitation method and for hydrogenation of chloronitrobenzene

    Directory of Open Access Journals (Sweden)

    Ya-Ting Tsu

    2017-06-01

    Full Text Available Nano-gold catalyst has been reported to have high activity and selectivity for liquid phase hydrogenation reaction. In this study, gold-containing bimetals were loaded on TiO2. For bimetallic catalysts, gold and different metals were prepared by the deposition-precipitation method, and then used NaBH4 to reduce metal cations. The catalysts were characterized by X-ray diffraction, transmission electron microscopy, high resolution transmission electron microscopy, and X-ray photoelectron spectroscopy. The catalytic properties of these catalysts were tested by hydrogenation of p-chloronitrobenzene (p-CNB in a batch reactor at 1.1 MPa H2 pressure, 373 K and 500 rpm. Cu, Ag, Ru, and Pd formed nano-alloy with Au. In addition, Cu–Au, Ag–Au, and Ru–Au alloy had Cu-, Ag-, and Ru-enriched surface, respectively. Instead, Pd–Au alloy had Pd-enriched surface. There are two kinds of alloy effects: (1 geometric effects, i.e., the surface-enriched metal would change the distance of Au–Au atoms that is required for facilitating the hydrogenation of chloronitrobenzene; and (2 electronic effects, which involve charge transfer between the metals. The activity decreased in the following order: PdAu/TiO2 > Au/TiO2 > NiAu/TiO2 > AgAu/TiO2 > RuAu/TiO2 > CuAu/TiO2. Comparing with other metals, adding Pd in Au showed a higher activity. Adding palladium could reduce gold-valence state, and increased active sites for reaction.

  1. Recycling of automotive aluminum

    OpenAIRE

    Cui, Jirang; Roven, Hans Jørgen

    2010-01-01

    With the global warming of concern, the secondary aluminum stream is becoming an even more important component of aluminum production and is attractive because of its economic and environmental benefits. In this work, recycling of automotive aluminum is reviewed to highlight environmental benefits of aluminum recycling, use of aluminum alloys in automotive applications, automotive recycling process, and new technologies in aluminum scrap process. Literature survey shows that newly developed t...

  2. Reversible Coordination of Boron-, Aluminum-, Zinc-, Magnesium-, and Calcium-Hydrogen Bonds to Bent {CuL2} Fragments: Heavy σ Complexes of the Lightest Coinage Metal.

    Science.gov (United States)

    Hicken, Alexandra; White, Andrew J P; Crimmin, Mark R

    2017-08-07

    A series of copper(I) complexes bearing electron-deficient β-diketiminate ligands have been prepared. The study includes [{{ArNC(CR 3 )} 2 CH}Cu(η 2 -toluene) n ] (Ar = Mes, R = F, n = 0.5, [1 2 ·tol]; Ar = C 6 F 5 , R = Me, n = 1, [2·tol]; Ar = 2,6-Cl 2 C 6 H 3 , R = H, n = 0.5, [3 2 ·tol]). Reactions of [1-3 n ·tol] with boranes, alanes, a zinc hydride, a magnesium hydride, and a calcium hydride generate the corresponding σ complexes ([1-3·B], [3·B'], [3·Al], [3·Al'], [1-3·Zn], [1·Mg], and [1·Ca]). These species all form reversibly, being in equilibrium with the arene solvates in solution. With the exception of the calcium complex, the complexes have all been characterized by single-crystal X-ray diffraction studies. In solution, the σ-hydride of the aluminum, zinc, magnesium, and calcium derivatives resonates between -0.12 and -1.77 ppm (C 6 D 6 or toluene-d 8 , 193-298 K). For the σ-borane complexes, the hydrides are observed as a single resonance between 2 and 3.5 ppm (C 6 D 6 , 298 K) and bridging and terminal hydrides rapidly exchange on the NMR time scale even at 193 K. Quantification of the solution dynamics by van't Hoff analysis yields expectedly small values of ΔH° and negative values of ΔS° consistent with weak binding and a reversible process that does not involve aggregation of the copper species. The donor-acceptor complexes can be rationalized in terms of the Dewar-Chatt-Duncanson model. Density functional theory calculations show that the donation of σ-M-H (or E-H) electrons into the 4s-based orbital (LUMO or LUMO+1) of the copper fragment is accompanied by weak back-donation from a d xz -based orbital (HOMO or HOMO-1) into the σ*-M-H (or E-H) orbital.

  3. Simulation of the time dependent infrared nu2 mode absorptions of (oH2)n:H2O clusters in O2 doped solid hydrogen at 4.2 K.

    Science.gov (United States)

    Abouaf-Marguin, L; Vasserot, A-M; Pardanaud, C

    2009-02-07

    Using Fourier transform infrared spectroscopy, we have analyzed the time evolution of the nu(2) mode of (oH(2))(n):H(2)O clusters (n = 11 to 1) embedded in solid normal hydrogen at 4.2 K over a period of 150 h using paramagnetic O(2) to speed up the ortho to para nuclear spin conversion process. For concentrations H(2)O/O(2)/H(2) = 1/20/4000, at time t = 0 right after the solid is prepared, all the H(2)O molecules are preferentially clustered by large numbers of oH(2). With time the cluster distribution irreversibly shifts toward smaller cluster sizes and also generates freely rotating H(2)O (n = 0) which is solvated completely by pH(2) molecules. From a spectral decomposition of the nu(2) (oH(2))(n):H(2)O cluster spectra, a phenomenological simulation of the time behavior of the clusters has been developed. The time evolution is modeled using coupled rate equations in a step by step n to n-1 cluster cascade fashion and analyzed over nine successive time periods. It shows that rotating H(2)O grows only at the expense of cluster n = 1 and that the process dramatically slows down as the conversion of orthohydrogen proceeds. At the end of the conversion process, it was found that cluster n = 1 remained with a very slow decrease.

  4. Use of triammonium salt of aurin tricarboxylic acid as risk mitigant for aluminum hydride

    Science.gov (United States)

    Cortes-Concepcion, Jose A.; Anton, Donald L.

    2017-08-08

    A process and a resulting product by process of an aluminum hydride which is modified with by physically combining in a ball milling process an aluminum hydride with a triammonium salt of aurin tricarboxylic acid. The resulting product is an aluminum hydride which is resistant to air, ambient moisture, and liquid water while maintaining useful hydrogen storage and release kinetics.

  5. Regeneration of lithium aluminum hydride.

    Science.gov (United States)

    Graetz, Jason; Wegrzyn, James; Reilly, James J

    2008-12-31

    Lithium aluminum hydride (LiAlH(4)) is a promising compound for hydrogen storage, with a high gravimetric and volumetric hydrogen density and a low decomposition temperature. Similar to other metastable hydrides, LiAlH(4) does not form by direct hydrogenation at reasonable hydrogen pressures; therefore, there is considerable interest in developing new routes to regenerate the material from the dehydrogenated products LiH and Al. Here we demonstrate a low-energy route to regenerate LiAlH(4) from LiH and Ti-catalyzed Al. The initial hydrogenation occurs in a tetrahydrofuran slurry and forms the adduct LiAlH(4).4THF. The thermodynamics of this reversible reaction were investigated by measuring pressure-composition isotherms, and the free energy was found to be small and slightly negative (DeltaG = -1.1 kJ/mol H(2)), suggesting an equilibrium hydrogen pressure of just under 1 bar at 300 K. We also demonstrate that the adduct LiAlH(4).4THF can be desolvated at low temperature to yield crystalline LiAlH(4).

  6. Synthesis of Renewable Energy Materials, Sodium Aluminum Hydride by Grignard Reagent of Al

    Directory of Open Access Journals (Sweden)

    Jun-qin Wang

    2015-01-01

    Full Text Available The research on hydrogen generation and application has attracted widespread attention around the world. This paper is to demonstrate that sodium aluminum hydride can be synthesized under simple and mild reaction condition. Being activated through organics, aluminum powder reacts with hydrogen and sodium hydride to produce sodium aluminum hydride under atmospheric pressure. The properties and composition of the sample were characterized by FTIR, XRD, SEM, and so forth. The results showed that the product through this synthesis method is sodium aluminum hydride, and it has higher purity, perfect crystal character, better stability, and good hydrogen storage property. The reaction mechanism is also discussed in detail.

  7. Inhibition of aluminum corrosion using Opuntia extract

    Energy Technology Data Exchange (ETDEWEB)

    El-Etre, A.Y

    2003-11-01

    The inhibitive action of the mucilage extracted from the modified stems of prickly pears, toward acid corrosion of aluminum, is tested using weight loss, thermometry, hydrogen evolution and polarization techniques. It was found that the extract acts as a good corrosion inhibitor for aluminum corrosion in 2.0 M HCl solution. The inhibition action of the extract was discussed in view of Langmuir adsorption isotherm. It was found that the adsorption of the extract on aluminum surface is a spontaneous process. The inhibition efficiency (IE) increases as the extract concentration is increased. The effect of temperature on the IE was studied. It was found that the presence of extract increases the activation energy of the corrosion reaction. Moreover, the thermodynamic parameters of the adsorption process were calculated. It was found also that the Opuntia extract provides a good protection to aluminum against pitting corrosion in chloride ion containing solutions.

  8. Electroless Ni-P-CNT composite coating on aluminum powder

    Science.gov (United States)

    Abbasipour, Benyamin; Monirvaghefi, Sayed Mahmoud; Niroumand, Behzad

    2012-12-01

    Ni-P-CNT composite coatings were deposited on micro-sized aluminum particles using electroless plating technique and the effect of different process parameters on the microstructural characteristics of the produced composite coatings were investigated. The results showed that a uniform Ni-P-CNT composite coating could be successfully deposited on the aluminum particles provided the electroless processing parameters were adjusted carefully. The most favorable coating quality was achieved at bath temperature of 80 °C, bath pH of 5.5 and CNT concentration of 1.25 g/lit. While a higher CNT concentration resulted in increased CNT agglomeration and poor CNT distribution in the Ni-P matrix, a lower CNT concentration resulted in fewer incorporated CNTs. Higher bath temperatures intensified the hydrogen gas evolution during the process and resulted in poor uniformity and presence of porosity in the coating. Low bath pH resulted in poor CNT incorporation and distribution in the Ni-P matrix and clustering of a large part of CNTs out of the coating.

  9. Synthesis of Renewable Energy Materials, Sodium Aluminum Hydride by Grignard Reagent of Al

    OpenAIRE

    Jun-qin Wang; Jian-feng Gao; Zhi-gang Wu; Guo-li Ou; Yu Wang

    2015-01-01

    The research on hydrogen generation and application has attracted widespread attention around the world. This paper is to demonstrate that sodium aluminum hydride can be synthesized under simple and mild reaction condition. Being activated through organics, aluminum powder reacts with hydrogen and sodium hydride to produce sodium aluminum hydride under atmospheric pressure. The properties and composition of the sample were characterized by FTIR, XRD, SEM, and so forth. The results showed that...

  10. Phases in lanthanum-nickel-aluminum alloys

    International Nuclear Information System (INIS)

    Mosley, W.C.

    1992-01-01

    Lanthanum-nickel-aluminum (LANA) alloys will be used to pump, store and separate hydrogen isotopes in the Replacement Tritium Facility (RTF). The aluminum content (y) of the primary LaNi 5 -phase is controlled to produce the desired pressure-temperature behavior for adsorption and desorption of hydrogen. However, secondary phases cause decreased capacity and some may cause undesirable retention of tritium. Twenty-three alloys purchased from Ergenics, Inc. for development of RTF processes have been characterized by scanning electron microscopy (SEM) and by electron microprobe analysis (EMPA) to determine the distributions and compositions of constituent phases. This memorandum reports the results of these characterization studies. Knowledge of the structural characteristics of these alloys is a useful first step in selecting materials for specific process development tests and in interpreting results of those tests. Once this information is coupled with data on hydrogen plateau pressures, retention and capacity, secondary phase limits for RTF alloys can be specified

  11. Reassembling Solid Materials by Femtosecond Laser Ablation: Case of Aluminum Nitride

    Science.gov (United States)

    Kobayashi, Tohru; Matsuo, Yukari

    2013-06-01

    Through atomization and ionization, we could completely alter the composition of a nonconductive material, aluminum nitride, by femtosecond laser ablation. Preferential production of pure aluminum cluster cations Aln+ (n≤32) reflects not only their higher energetic stability compared with mixed clusters AlnNm+ but also completion of thermal relaxation in ablation plasma. Observation of metastable dissociation of Aln+ indicates that cluster cations have still enough internal energy for dissociation to occur, although the process is much slower than the cluster formation. Almost no cluster formation has been observed after nanosecond laser ablation of aluminum nitride, which highlights the distinct nature of ablation plasma produced by femtosecond laser ablation.

  12. Fine Grain Aluminum Superplasticity

    Science.gov (United States)

    1980-02-01

    Continua on ravaraa sida H nacaaaary and identify by block numbar) Superplastic aluminum, Superplasticity, Superplastic forming. High strength aluminum...size. The presence of precipitate particles also acts to impede grain boundary migration during recrystallization, further aiding in maintaining a

  13. Precipitation hardening and hydrogen embrittlement of aluminum ...

    Indian Academy of Sciences (India)

    Al alloy with a fine fibrous structure and duplex aged to near peak hardness may tolerate a cold water quenching. An overaged material with a recrystallized structure may also tolerate water quenching (Kent 1970). Transformation sequence for ageing the 7020 alloys is given as follows (Berg et al 2001):. Solid solution (α) ...

  14. ALUMINUM BOX BUNDLING PRESS

    Directory of Open Access Journals (Sweden)

    Iosif DUMITRESCU

    2015-05-01

    Full Text Available In municipal solid waste, aluminum is the main nonferrous metal, approximately 80- 85% of the total nonferrous metals. The income per ton gained from aluminum recuperation is 20 times higher than from glass, steel boxes or paper recuperation. The object of this paper is the design of a 300 kN press for aluminum box bundling.

  15. Electronic Structure Investigations of Aluminum Clusters

    Science.gov (United States)

    2007-11-27

    ted than in the ground state. T he pOien lial energy curves along tbe AI-C bond stretching coordinate for the ground and the exciled states have... coordinate using 0 F[" rnelhod wilb aug-cc·pvtz basis seu. give an AI C bond-lcngth as 1.977 A in the X IE ’" and I. 77S ;. in tbe A In state:, a _ 10...l’IIs.\\·e 80. CH·4(j56 Bus/’ I, Swi/:ericmd Isabelle Navizet Unil!f!r.vi/c Paris·£.f/, Labora/Gire de Chimie Thi!Orique. 5 bd De.vcar/es, F·77454 M

  16. Aluminum reference electrode

    Science.gov (United States)

    Sadoway, Donald R.

    1988-01-01

    A stable reference electrode for use in monitoring and controlling the process of electrolytic reduction of a metal. In the case of Hall cell reduction of aluminum, the reference electrode comprises a pool of molten aluminum and a solution of molten cryolite, Na.sub.3 AlF.sub.6, wherein the electrical connection to the molten aluminum does not contact the highly corrosive molten salt solution. This is accomplished by altering the density of either the aluminum (decreasing the density) or the electrolyte (increasing the density) so that the aluminum floats on top of the molten salt solution.

  17. Nanostructures from hydrogen implantation of metals.

    Energy Technology Data Exchange (ETDEWEB)

    McWatters, Bruce Ray (Sandia National Laboratories, Albuquerque, NM); Causey, Rion A.; DePuit, Ryan J.; Yang, Nancy Y. C.; Ong, Markus D.

    2009-09-01

    This study investigates a pathway to nanoporous structures created by hydrogen implantation in aluminum. Previous experiments for fusion applications have indicated that hydrogen and helium ion implantations are capable of producing bicontinuous nanoporous structures in a variety of metals. This study focuses specifically on hydrogen and helium implantations of aluminum, including complementary experimental results and computational modeling of this system. Experimental results show the evolution of the surface morphology as the hydrogen ion fluence increases from 10{sup 17} cm{sup -2} to 10{sup 18} cm{sup -2}. Implantations of helium at a fluence of 10{sup 18} cm{sup -2} produce porosity on the order of 10 nm. Computational modeling demonstrates the formation of alanes, their desorption, and the resulting etching of aluminum surfaces that likely drives the nanostructures that form in the presence of hydrogen.

  18. The corrosion of aluminum in dilute solutions: laboratory studies

    Energy Technology Data Exchange (ETDEWEB)

    Draley, J.E.; Arendt, J.W.; English, G.C.; Story, E.F.; Wainscott, M.M.; Berger, R.W.

    1945-06-19

    After it had been decided that aluminum was to be used as a corrosion-resistant material with good heat transfer properties, it was desired to determine the operating conditions to be used in the water-cooled Handford plant in order to avoid danger of corrosion penetration of thin aluminum parts. The studies here reported were undertaken with the object of determining these conditions by investigating the effects of all the known variables which might influence the corrosion behavior of aluminum in a water-coolded plant at HEW. The addition of hydrogen peroxide to the testing solutions was the only effort made to simulate special conditions at the plant.

  19. Aluminum powder metallurgy processing

    Energy Technology Data Exchange (ETDEWEB)

    Flumerfelt, J.F.

    1999-02-12

    The objective of this dissertation is to explore the hypothesis that there is a strong linkage between gas atomization processing conditions, as-atomized aluminum powder characteristics, and the consolidation methodology required to make components from aluminum powder. The hypothesis was tested with pure aluminum powders produced by commercial air atomization, commercial inert gas atomization, and gas atomization reaction synthesis (GARS). A comparison of the GARS aluminum powders with the commercial aluminum powders showed the former to exhibit superior powder characteristics. The powders were compared in terms of size and shape, bulk chemistry, surface oxide chemistry and structure, and oxide film thickness. Minimum explosive concentration measurements assessed the dependence of explosibility hazard on surface area, oxide film thickness, and gas atomization processing conditions. The GARS aluminum powders were exposed to different relative humidity levels, demonstrating the effect of atmospheric conditions on post-atomization processing conditions. The GARS aluminum powders were exposed to different relative humidity levels, demonstrating the effect of atmospheric conditions on post-atomization oxidation of aluminum powder. An Al-Ti-Y GARS alloy exposed in ambient air at different temperatures revealed the effect of reactive alloy elements on post-atomization powder oxidation. The pure aluminum powders were consolidated by two different routes, a conventional consolidation process for fabricating aerospace components with aluminum powder and a proposed alternative. The consolidation procedures were compared by evaluating the consolidated microstructures and the corresponding mechanical properties. A low temperature solid state sintering experiment demonstrated that tap densified GARS aluminum powders can form sintering necks between contacting powder particles, unlike the total resistance to sintering of commercial air atomization aluminum powder.

  20. Collision-Induced Dissociation Study of Strong Hydrogen-Bonded Cluster Ions Y-(HF) n (Y=F, O2) Using Atmospheric Pressure Corona Discharge Ionization Mass Spectrometry Combined with a HF Generator.

    Science.gov (United States)

    Sakamoto, Kenya; Sekimoto, Kanako; Takayama, Mitsuo

    2017-01-01

    Hydrogen fluoride (HF) was produced by a homemade HF generator in order to investigate the properties of strong hydrogen-bonded clusters such as (HF) n . The HF molecules were ionized in the form of complex ions associated with the negative core ions Y - produced by atmospheric pressure corona discharge ionization (APCDI). The use of APCDI in combination with the homemade HF generator led to the formation of negative-ion HF clusters Y - (HF) n (Y=F, O 2 ), where larger clusters with n ≥4 were not detected. The mechanisms for the formation of the HF, F - (HF) n , and O 2 - (HF) n species were discussed from the standpoints of the HF generator and APCDI MS. By performing energy-resolved collision-induced dissociation (CID) experiments on the cluster ions F - (HF) n ( n =1-3), the energies for the loss of HF from F - (HF) 3 , F - (HF) 2 , and F - (HF) were evaluated to be 1 eV or lower, 1 eV or higher, and 2 eV, respectively, on the basis of their center-of-mass energy ( E CM ). These E CM values were consistent with the values of 0.995, 1.308, and 2.048 eV, respectively, obtained by ab initio calculations. The stability of [O 2 (HF) n ] - ( n =1-4) was discussed on the basis of the bond lengths of O 2 H-F - (HF) n and O 2 - H-F(HF) n obtained by ab initio calculations. The calculations indicated that [O 2 (HF) 4 ] - separated into O 2 H and F - (HF) 3 .

  1. Elimination of aluminum adjuvants.

    Science.gov (United States)

    Hem, Stanley L

    2002-05-31

    In vitro dissolution experiments although perhaps not at typical body concentrations and temperatures demonstrated that the alpha-hydroxycarboxylic acids present in interstitial fluid (citric acid, lactic acid, and malic acid) are capable of dissolving aluminum-containing adjuvants. Amorphous aluminum phosphate adjuvant dissolved more rapidly than crystalline aluminum hydroxide adjuvant. Intramuscular administration in New Zealand White rabbits of aluminum phosphate and aluminum hydroxide adjuvants, which were labelled with 26Al, revealed that 26Al was present in the first blood sample (1 h) for both adjuvants. The area under the blood level curve for 28 days indicated that three times more aluminum was absorbed from aluminum phosphate adjuvant than aluminum hydroxide adjuvant. In vivo studies using 26Al-labelled adjuvants are relatively safe because accelerator mass spectrometry (AMS) can quantify quantities of 26Al as small as 10(-17) g. A similar study in humans would require a whole-body exposure of 0.7 microSv per year compared to the natural background exposure of 3000 microSv per year. The in vitro dissolution and in vivo absorption studies indicate that aluminum-containing adjuvants which are administered intramuscularly are dissolved by alpha-hydroxycarboxylic acids in interstitial fluid, absorbed into the blood, distributed to tissues, and eliminated in the urine.

  2. Mass spectrometric and first principles study of Al$_n$C$^-$ clusters

    OpenAIRE

    Zhao, Jijun; Liu, Bingchen; Zhai, Huajin; Zhou, Rufang; Ni, Guoquan; Xu, Zhizhan

    2001-01-01

    We study the carbon-dope aluminum clusters by using time-of-flight mass spectrum experiments and {\\em ab initio} calculations. Mass abundance distributions are obtained for anionic aluminum and aluminum-carbon mixed clusters. Besides the well-known magic aluminum clusters such as Al$_{13}^-$ and Al$_{23}^-$, Al$_7$C$^-$ cluster is found to be particularly stable among those Al$_n$C$^-$ clusters. Density functional calculations are performed to determine the ground state structures of Al$_n$C$...

  3. Hydrogen energy

    International Nuclear Information System (INIS)

    2005-03-01

    This book consists of seven chapters, which deals with hydrogen energy with discover and using of hydrogen, Korean plan for hydrogen economy and background, manufacturing technique on hydrogen like classification and hydrogen manufacture by water splitting, hydrogen storage technique with need and method, hydrogen using technique like fuel cell, hydrogen engine, international trend on involving hydrogen economy, technical current for infrastructure such as hydrogen station and price, regulation, standard, prospect and education for hydrogen safety and system. It has an appendix on related organization with hydrogen and fuel cell.

  4. Is the Aluminum Hypothesis Dead?

    Science.gov (United States)

    2014-01-01

    The Aluminum Hypothesis, the idea that aluminum exposure is involved in the etiology of Alzheimer disease, dates back to a 1965 demonstration that aluminum causes neurofibrillary tangles in the brains of rabbits. Initially the focus of intensive research, the Aluminum Hypothesis has gradually been abandoned by most researchers. Yet, despite this current indifference, the Aluminum Hypothesis continues to attract the attention of a small group of scientists and aluminum continues to be viewed with concern by some of the public. This review article discusses reasons that mainstream science has largely abandoned the Aluminum Hypothesis and explores a possible reason for some in the general public continuing to view aluminum with mistrust. PMID:24806729

  5. Carbon monoxide and carbon dioxide hydrogenation catalyzed by supported ruthenium carbonyl clusters: a novel procedure for encapsulating Ru3(Co)12 within the pores of Na-Y zeolite. Technical report No. 1, 1986-1987

    Energy Technology Data Exchange (ETDEWEB)

    Hastings, W.R.; Cameron, C.J.; Thomas, M.J.; Baird, M.C.

    1988-01-01

    Zeolite-supported ruthenium catalysts for the hydrogenation of carbon monoxide and carbon dioxide were prepared by sorbing Ru(CO)5 (molecular diameter 6.3 A) onto Na-Y zeolite and Linde 5A molecular sieve. Although the metal carbonyl is not absorbed into the pores of the molecular sieve (diameter 4.2 A), it is readily absorbed into the pores (diameter 7.4 A) and supercages (diameter 13 A) of the Na-Y zeolite. The Ru(CO)5 in Na-Y coverts in the absence of carbon monoxide to the much larger Ru3(CO)12 (diameter 9.2 A), which remains on the surface of the molecular sieve but is trapped within the supercages of the Na-Y zeolite because it cannot pass through the smaller pores. Slow, temperature-programmed heating of the Ru3(CO)12 in Na-Y to 350 C under a flow of hydrogen results in decarbonylation and formation of a CO hydrogenation catalyst that produces a very atypical (for ruthenium) hydrocarbon distribution truncated at about C10. The unusual product distribution presumably arises because the catalyst sites are situated within the zeolite supercages. Thus the metal is highly dispersed and or the growing hydrocarbon chains are subject to geometrical limitations on their growth. Consistent with this prothesis, ruthenium carbonyl clusters immobilized on the external surfaces of Na-Y zeolite, Linde 5A molecular sieve, and gamma alumina all exhibit typical, nonselective hydrocarbon-product distributions.

  6. New Process for Grain Refinement of Aluminum. Final Report; FINAL

    International Nuclear Information System (INIS)

    Megy, Joseph A.

    2000-01-01

    A new method of grain refining aluminum involving in-situ formation of boride nuclei in molten aluminum just prior to casting has been developed in the subject DOE program over the last thirty months by a team consisting of JDC, Inc., Alcoa Technical Center, GRAS, Inc., Touchstone Labs, and GKS Engineering Services. The Manufacturing process to make boron trichloride for grain refining is much simpler than preparing conventional grain refiners, with attendant environmental, capital, and energy savings. The manufacture of boride grain refining nuclei using the fy-Gem process avoids clusters, salt and oxide inclusions that cause quality problems in aluminum today

  7. New Process for Grain Refinement of Aluminum. Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Dr. Joseph A. Megy

    2000-09-22

    A new method of grain refining aluminum involving in-situ formation of boride nuclei in molten aluminum just prior to casting has been developed in the subject DOE program over the last thirty months by a team consisting of JDC, Inc., Alcoa Technical Center, GRAS, Inc., Touchstone Labs, and GKS Engineering Services. The Manufacturing process to make boron trichloride for grain refining is much simpler than preparing conventional grain refiners, with attendant environmental, capital, and energy savings. The manufacture of boride grain refining nuclei using the fy-Gem process avoids clusters, salt and oxide inclusions that cause quality problems in aluminum today.

  8. Vanadium alloy membranes for high hydrogen permeability and suppressed hydrogen embrittlement

    International Nuclear Information System (INIS)

    Kim, Kwang Hee; Park, Hyeon Cheol; Lee, Jaeho; Cho, Eunseog; Lee, Sang Mock

    2013-01-01

    The structural properties and hydrogen permeation characteristics of ternary vanadium–iron–aluminum (V–Fe–Al) alloy were investigated. To achieve not only high hydrogen permeability but also strong resistance to hydrogen embrittlement, the alloy composition was modulated to show high hydrogen diffusivity but reduced hydrogen solubility. We demonstrated that matching the lattice constant to the value of pure V by co-alloying lattice-contracting and lattice-expanding elements was quite effective in maintaining high hydrogen diffusivity of pure V

  9. Degradation of Perfluorinated Ether Lubricants on Pure Aluminum Surfaces: Semiempirical Quantum Chemical Modeling

    Science.gov (United States)

    Slaby, Scott M.; Ewing, David W.; Zehe, Michael J.

    1997-01-01

    The AM1 semiempirical quantum chemical method was used to model the interaction of perfluoroethers with aluminum surfaces. Perfluorodimethoxymethane and perfluorodimethyl ether were studied interacting with aluminum surfaces, which were modeled by a five-atom cluster and a nine-atom cluster. Interactions were studied for edge (high index) sites and top (low index) sites of the clusters. Both dissociative binding and nondissociative binding were found, with dissociative binding being stronger. The two different ethers bound and dissociated on the clusters in different ways: perfluorodimethoxymethane through its oxygen atoms, but perfluorodimethyl ether through its fluorine atoms. The acetal linkage of perfluorodimeth-oxymethane was the key structural feature of this molecule in its binding and dissociation on the aluminum surface models. The high-index sites of the clusters caused the dissociation of both ethers. These results are consistent with the experimental observation that perfluorinated ethers decompose in contact with sputtered aluminum surfaces.

  10. Advances in aluminum pretreatment

    Energy Technology Data Exchange (ETDEWEB)

    Sudour, Michel; Maintier, Philippe [PPG Industries France, 3 Z.A.E. Les Dix Muids, B.P. 89, F-59583 Marly (France); Simpson, Mark [PPG Industries Inc., 1200 Piedmont Troy, Michigan 48083 (United States); Quaglia, Paolo [PPG Industries Italia, Via Garavelli 21, I-15028 Quattordio (Italy)

    2004-07-01

    As automotive manufacturers continue to look for ways to reduce vehicle weight, aluminum is finding more utility as a body panel component. The substitution of cold-rolled steel and zinc-coated substrates with aluminum has led to new challenges in vehicle pretreatment. As a result, changes to traditional pretreatment chemistries and operating practices are necessary in order to produce an acceptable coating on aluminum body panels. These changes result in increased sludging and other undesirable characteristics. In addition to the chemistry changes, there are also process-related problems to consider. Many existing automotive pretreatment lines simply were not designed to handle aluminum and its increased demands on filtration and circulation equipment. To retrofit such a system is capital intensive and in addition to requiring a significant amount of downtime, may not be totally effective. Thus, the complexities of pre-treating aluminum body panels have actually had a negative effect on efforts to introduce more aluminum into new vehicle design programs. Recent research into ways of reducing the negative effects has led to a new understanding of the nature of zinc phosphate bath -aluminum interactions. Many of the issues associated with the pretreatment of aluminum have been identified and can be mitigated with only minor changes to the zinc phosphate bath chemistry. The use of low levels of soluble Fe ions, together with free fluoride, has been shown to dramatically improve the efficiency of a zinc phosphate system processing aluminum. Appearance of zinc phosphate coatings, coating weights and sludge are all benefited by this chemistry change. (authors)

  11. Mechanism of Corrosion of Activated Aluminum Particles by Hot Water

    International Nuclear Information System (INIS)

    Razavi-Tousi, S.S.; Szpunar, J.A.

    2014-01-01

    Mechanism of corrosion in aluminum particles by hot water treatment for hydrogen generation is evaluated. The aluminum powder was activated by ball milling for different durations, which modified size and microstructure of the particles. Open circuit potential test was carried out to elucidate different stages of the reaction. Tafel test was used to explain the effect of ball milling and growth of hydroxide layer on corrosion of the particles. Surface, cross section and thickness of the grown hydroxide on the aluminum particles were studied in a scanning electron microscope. The corrosion potential of the aluminum powders depends on microstructure of the aluminum particles, growth of the hydroxide layer and a change in pH because of cathodic reactions. The hydrogen production test showed that a deformed microstructure and smaller particle size accelerates the corrosion rate of aluminum by hot water, the effect of the deformed microstructure being more significant at the beginning of the reaction. Effect of growth of the hydroxide layer on corrosion mechanism is discussed

  12. Is it homogeneous or heterogeneous catalysis derived from [RhCp*Cl2]2? In operando XAFS, kinetic, and crucial kinetic poisoning evidence for subnanometer Rh4 cluster-based benzene hydrogenation catalysis.

    Science.gov (United States)

    Bayram, Ercan; Linehan, John C; Fulton, John L; Roberts, John A S; Szymczak, Nathaniel K; Smurthwaite, Tricia D; Özkar, Saim; Balasubramanian, Mahalingam; Finke, Richard G

    2011-11-23

    Determining the true, kinetically dominant catalytically active species, in the classic benzene hydrogenation system pioneered by Maitlis and co-workers 34 years ago starting with [RhCp*Cl(2)](2) (Cp* = [η(5)-C(5)(CH(3))(5)]), has proven to be one of the most challenging case studies in the quest to distinguish single-metal-based "homogeneous" from polymetallic, "heterogeneous" catalysis. The reason, this study will show, is the previous failure to use the proper combination of: (i) in operando spectroscopy to determine the dominant form(s) of the precatalyst's mass under catalysis (i.e., operating) conditions, and then crucially also (ii) the previous lack of the necessary kinetic studies, catalysis being a "wholly kinetic phenomenon" as J. Halpern long ago noted. An important contribution from this study will be to reveal the power of quantitiative kinetic poisoning experiments for distinguishing single-metal, or in the present case subnanometer Rh(4) cluster-based catalysis, from larger, polymetallic Rh(0)(n) nanoparticle catalysis, at least under favorable conditions. The combined in operando X-ray absorption fine structure (XAFS) spectroscopy and kinetic evidence provide a compelling case for Rh(4)-based, with average stoichiometry "Rh(4)Cp*(2.4)Cl(4)H(c)", benzene hydrogenation catalysis in 2-propanol with added Et(3)N and at 100 °C and 50 atm initial H(2) pressure. The results also reveal, however, that if even ca. 1.4% of the total soluble Rh(0)(n) had formed nanoparticles, then those Rh(0)(n) nanoparticles would have been able to account for all the observed benzene hydrogenation catalytic rate (using commercial, ca. 2 nm, polyethyleneglycol-dodecylether hydrosol stabilized Rh(0)(n) nanoparticles as a model system). The results--especially the poisoning methodology developed and employed--are of significant, broader interest since determining the nature of the true catalyst continues to be a central, often vexing issue in any and all catalytic reactions

  13. Defect recovery in aluminum irradiated with protons at 20 K

    DEFF Research Database (Denmark)

    Linderoth, S.; Rajainmäki, H.; Nieminen, R. M.

    1987-01-01

    Aluminum single crystals have been irradiated with 7.0-MeV protons at 20 K. The irradiation damage and its recovery are studied with positron-lifetime spectroscopy between 20 and 500 K. Stage-I recovery is observed at 40 K. At 240 K, loss of freely migrating vacancies is observed. Hydrogen...

  14. Corrosion Inhibitors for Aluminum.

    Science.gov (United States)

    Muller, Bodo

    1995-01-01

    Describes a simple and reliable test method used to investigate the corrosion-inhibiting effects of various chelating agents on aluminum pigments in aqueous alkaline media. The experiments that are presented require no complicated or expensive electronic equipment. (DDR)

  15. Corrosion Protection of Aluminum

    Science.gov (United States)

    Dalrymple, R. S.; Nelson, W. B.

    1963-07-01

    Treatment of aluminum-base metal surfaces in an autoclave with an aqueous chromic acid solution of 0.5 to 3% by weight and of pH below 2 for 20 to 50 hrs at 160 to 180 deg C produces an extremely corrosion-resistant aluminum oxidechromium film on the surface. A chromic acid concentration of 1 to 2% and a pH of about 1 are preferred.

  16. Characterization of aluminum nanopowders after long-term storage

    International Nuclear Information System (INIS)

    Nazarenko, O.B.; Amelkovich, Yu.A.; Sechin, A.I.

    2014-01-01

    Highlights: • The aluminum nanopowders produced by electrical explosion of wires after long-term storage (27 and 10 years) under natural conditions are characterized. • The phase composition and thermal stability of aluminum nanopowders after long-term storage are determined. • The surface chemical changes in the aged aluminum nanopowders are examined. • The high reactivity of aluminum nanopowder is due to the presence of the protective oxide–hydroxide layer on the particles surface. - Abstract: The characteristics of aluminum nanopowders obtained by electrical explosion of wires, passivated by air and stored for a long time under natural conditions are analyzed. The aluminum nanopowder produced in hydrogen had been stored for 27 years; the nanopowders produced in argon and nitrogen had been stored for 10 years. The powders were studied using X-ray diffraction analysis (XRD), scanning electron microscopy (SEM), differential scanning calorimetry (DSC), thermogravimetry (TG) and Fourier transform infrared spectrometry (FTIR). The influence of the obtaining conditions and storage period of nanopowders on their thermal stability under heating in air is shown. The aluminum nanopowders after long-term storage in air under ambient conditions are found to be extremely active

  17. HYDROGEN VACANCY INTERACTION IN TUNGSTEN

    NARCIS (Netherlands)

    FRANSENS, [No Value; ELKERIEM, MSA; PLEITER, F

    1991-01-01

    Hydrogen-vacancy interaction in tungsten was investigated by means of the perturbed angular correlation technique, using the isotope In-111 as a probe. Hydrogen trapping at an In-111-vacancy cluster manifests itself as a change of the local electric field gradient, which gives rise to an observable

  18. Dependence of hydrogen-induced lattice defects and hydrogen embrittlement of cold-drawn pearlitic steels on hydrogen trap state, temperature, strain rate and hydrogen content

    International Nuclear Information System (INIS)

    Doshida, Tomoki; Takai, Kenichi

    2014-01-01

    The effects of the hydrogen state, temperature, strain rate and hydrogen content on hydrogen embrittlement susceptibility and hydrogen-induced lattice defects were evaluated for cold-drawn pearlitic steel that absorbed hydrogen in two trapping states. Firstly, tensile tests were carried out under various conditions to evaluate hydrogen embrittlement susceptibility. The results showed that peak 2 hydrogen, desorbed at temperatures above 200 °C as determined by thermal desorption analysis (TDA), had no significant effect on hydrogen embrittlement susceptibility. In contrast, hydrogen embrittlement susceptibility increased in the presence of peak 1 hydrogen, desorbed from room temperature to 200 °C as determined by TDA, at temperatures higher than −30 °C, at lower strain rates and with higher hydrogen content. Next, the same effects on hydrogen-induced lattice defects were also evaluated by TDA using hydrogen as a probe. Peak 2 hydrogen showed no significant effect on either hydrogen-induced lattice defects or hydrogen embrittlement susceptibility. It was found that hydrogen-induced lattice defects formed under the conditions where hydrogen embrittlement susceptibility increased. This relationship indicates that hydrogen embrittlement susceptibility was higher under the conditions where the formation of hydrogen-induced lattice defects tended to be enhanced. Since hydrogen-induced lattice defects formed by the interaction between hydrogen and strain were annihilated by annealing at a temperature of 200 °C, they were presumably vacancies or vacancy clusters. One of the common atomic-level changes that occur in cold-drawn pearlitic steel showing higher hydrogen embrittlement susceptibility is the formation of vacancies and vacancy clusters

  19. Aluminum industry options paper

    International Nuclear Information System (INIS)

    1999-10-01

    In 1990, Canada's producers of aluminum (third largest in the world) emitted 10 million tonnes of carbon dioxide and equivalent, corresponding to 6.4 tonnes of greenhouse gas intensity per tonne of aluminum. In 2000, the projection is that on a business-as-usual (BAU) basis Canadian producers now producing 60 per cent more aluminum than in 1990, will emit 10.7 million tonnes of carbon dioxide and equivalent, corresponding to a GHG intensity of 4.2 tonnes per tonne of aluminum. This improvement is due to production being based largely on hydro-electricity, and partly because in general, Canadian plants are modern, with technology that is relatively GHG-friendly. The Aluminum Association of Canada estimates that based on anticipated production, and under a BAU scenario, GHG emissions from aluminum production will rise by 18 per cent by 2010 and by 30 per cent by 2020. GHG emissions could be reduced below the BAU forecast first, by new control and monitoring systems at some operations at a cost of $4.5 to 7.5 million per smelter. These systems could reduce carbon dioxide equivalent emissions by 0.8 million tonnes per year. A second alternative would require installation of breaker feeders which would further reduce perfluorocarbon (PFC) emissions by 0.9 million tonnes of carbon dioxide equivalent. Cost of the breakers feeders would be in the order of $200 million per smelter. The third option calls for the the shutting down of some of the smelters with older technology by 2015. In this scenario GHG emissions would be reduced by 2010 by 0.8 million tonnes per year of carbon dioxide equivalent. However, the cost in this case would be about $1.36 billion. The industry would support measures that would encourage the first two sets of actions, which would produce GHG emissions from aluminum production in Canada of about 10.2 million tonnes per year of carbon dioxide equivalent, or about two per cent above 1990 levels with double the aluminum production of 1990. Credit for

  20. Cross section measurements of the processes occurring in the fragmentation of H{sub n}{sup +} (3 {<=} n {<=} 35) hydrogen clusters induced by high speed (60 keV/u) collisions on helium atoms; Mesure des sections efficaces des differents processus intervenant dans la fragmentation d`agregats d`hydrogene H{sub n}{sup +} (3 {<=} n {<=} 35) induite par collision a haute vitesse (60 keV/u) sur un atome d`helium

    Energy Technology Data Exchange (ETDEWEB)

    Louc, Sandrine [Inst. de Physique Nucleaire, Lyon-1 Univ., 69 - Villeurbanne (France)

    1997-09-15

    Different processes involved in the fragmentation of ionised hydrogen clusters H{sub 3} + (H{sub 2}){sub (n-3)/2} (n = 5-35) have been studied in the same experiment: the fragmentation of the cluster is induced by the collision with an helium atom at high velocity ({approx_equal} c/100). The collision is realised in reversed kinematic - clusters are accelerated - which allows the detection of neutral and charged fragments. The different channels of fragmentation are identified by using coincidence techniques. For all the cluster sizes studied the capture cross sections of one electron of the target by the cluster is equal to the capture cross section of the H{sub 3}{sup +} ion. In the same way, the dissociation cross section of the H{sub 3}{sup +} core of the cluster does not depend on cluster size. These fragmentation processes are due to the interaction of H{sub 3}{sup +} core of the cluster and the helium atom without ionization of another component of the cluster. On the contrary, the cross sections of loss of one, two and three molecules by the cluster and the dissociation cross section of the cluster in all its molecular components depends strongly on the cluster size. This dependence is different from the one measured for the metastable decay of the cluster. Thus, the process of loss of molecules induced by a collision should correspond to a different dissociation mechanism. In regard of the singularities observed for the size dependence, the H{sub 9}{sup +}, H{sub 15}{sup +}, H{sub 19}{sup +} and H{sub 29}{sup +} clusters could be the `core` of the biggest clusters. These observation are in agreement with the size effects of smaller magnitude observed for the dissociation cross section (all the processes). The values of the cross section for the process of at least one ionization of the cluster indicate that about 80% of the fragmentation events result from this process. (author) 114 refs., 74 figs., 9 tabs.

  1. Hydrogen sensor

    Science.gov (United States)

    Duan, Yixiang; Jia, Quanxi; Cao, Wenqing

    2010-11-23

    A hydrogen sensor for detecting/quantitating hydrogen and hydrogen isotopes includes a sampling line and a microplasma generator that excites hydrogen from a gas sample and produces light emission from excited hydrogen. A power supply provides power to the microplasma generator, and a spectrometer generates an emission spectrum from the light emission. A programmable computer is adapted for determining whether or not the gas sample includes hydrogen, and for quantitating the amount of hydrogen and/or hydrogen isotopes are present in the gas sample.

  2. Ground state structures and properties of small hydrogenated silicon ...

    Indian Academy of Sciences (India)

    We present results for ground state structures and properties of small hydrogenated silicon clusters using the Car–Parrinello molecular dynamics with simulated annealing. We discuss the nature of bonding of hydrogen in these clusters. We find that hydrogen can form a bridge like Si–H–Si bond connecting two silicon ...

  3. Aluminum for plasmonics.

    Science.gov (United States)

    Knight, Mark W; King, Nicholas S; Liu, Lifei; Everitt, Henry O; Nordlander, Peter; Halas, Naomi J

    2014-01-28

    Unlike silver and gold, aluminum has material properties that enable strong plasmon resonances spanning much of the visible region of the spectrum and into the ultraviolet. This extended response, combined with its natural abundance, low cost, and amenability to manufacturing processes, makes aluminum a highly promising material for commercial applications. Fabricating Al-based nanostructures whose optical properties correspond with theoretical predictions, however, can be a challenge. In this work, the Al plasmon resonance is observed to be remarkably sensitive to the presence of oxide within the metal. For Al nanodisks, we observe that the energy of the plasmon resonance is determined by, and serves as an optical reporter of, the percentage of oxide present within the Al. This understanding paves the way toward the use of aluminum as a low-cost plasmonic material with properties and potential applications similar to those of the coinage metals.

  4. Studying aluminum hydride by means of thermal analysis

    Science.gov (United States)

    Milekhin, Yu. M.; Koptelov, A. A.; Matveev, A. A.; Baranets, Yu. N.; Bakulin, D. A.

    2015-07-01

    Chemical reactions and physical transformations that occur upon heating aluminum hydride (AlH3, alane), stored for 25 years, in the temperature range of 50-1200°C in an atmosphere of nitrogen, argon, and air are studied by means of thermogravimetric analysis and differential scanning calorimetry. The heat of thermal decomposition and the hydrogen content are determined for the AlH3 samples and are found to be 318 ± 25 J/g and 9.32 ± 0.24 wt %, respectively. It is established that the estimated enthalpy of formation of AlH3 in stoichiometric composition (Δf H ≈ -10.3 kJ/mol) agrees with the literature data. After the release of hydrogen, the mass of the precipitate increases by 0.5 ± 0.3%, relative to the initial mass of the AlH3 samples; the most likely reason for this effect is the adsorption of nitrogen (argon) in the micropores and mesopores that form. Thermal phenomena associated with the crystallization of the amorphous aluminum that forms after hydrogen is released from the alane particles are analyzed. It is established that the aluminum contained in initial AlH3 samples is almost completely transformed into aluminum nitride and oxide (AlN and Al3O3) upon heating to 1200°C in nitrogen and air, respectively.

  5. Hydrogenation apparatus

    Science.gov (United States)

    Friedman, Joseph [Encino, CA; Oberg, Carl L [Canoga Park, CA; Russell, Larry H [Agoura, CA

    1981-01-01

    Hydrogenation reaction apparatus comprising a housing having walls which define a reaction zone and conduits for introducing streams of hydrogen and oxygen into the reaction zone, the oxygen being introduced into a central portion of the hydrogen stream to maintain a boundary layer of hydrogen along the walls of the reaction zone. A portion of the hydrogen and all of the oxygen react to produce a heated gas stream having a temperature within the range of from 1100.degree. to 1900.degree. C., while the boundary layer of hydrogen maintains the wall temperature at a substantially lower temperature. The heated gas stream is introduced into a hydrogenation reaction zone and provides the source of heat and hydrogen for a hydrogenation reaction. There also is provided means for quenching the products of the hydrogenation reaction. The present invention is particularly suitable for the hydrogenation of low-value solid carbonaceous materials to provide high yields of more valuable liquid and gaseous products.

  6. Hydrogen system (hydrogen fuels feasibility)

    International Nuclear Information System (INIS)

    Guarna, S.

    1991-07-01

    This feasibility study on the production and use of hydrogen fuels for industry and domestic purposes includes the following aspects: physical and chemical properties of hydrogen; production methods steam reforming of natural gas, hydrolysis of water; liquid and gaseous hydrogen transportation and storage (hydrogen-hydride technology); environmental impacts, safety and economics of hydrogen fuel cells for power generation and hydrogen automotive fuels; relevant international research programs

  7. Aluminum Hydroxide and Magnesium Hydroxide

    Science.gov (United States)

    Aluminum Hydroxide, Magnesium Hydroxide are antacids used together to relieve heartburn, acid indigestion, and upset stomach. They ... They combine with stomach acid and neutralize it. Aluminum Hydroxide, Magnesium Hydroxide are available without a prescription. ...

  8. Reversible hydrogen storage materials

    Science.gov (United States)

    Ritter, James A [Lexington, SC; Wang, Tao [Columbia, SC; Ebner, Armin D [Lexington, SC; Holland, Charles E [Cayce, SC

    2012-04-10

    In accordance with the present disclosure, a process for synthesis of a complex hydride material for hydrogen storage is provided. The process includes mixing a borohydride with at least one additive agent and at least one catalyst and heating the mixture at a temperature of less than about 600.degree. C. and a pressure of H.sub.2 gas to form a complex hydride material. The complex hydride material comprises MAl.sub.xB.sub.yH.sub.z, wherein M is an alkali metal or group IIA metal, Al is the element aluminum, x is any number from 0 to 1, B is the element boron, y is a number from 0 to 13, and z is a number from 4 to 57 with the additive agent and catalyst still being present. The complex hydride material is capable of cyclic dehydrogenation and rehydrogenation and has a hydrogen capacity of at least about 4 weight percent.

  9. Hydrogen-Mediated Electron Doping of Gold Clusters As Revealed by In Situ X-ray and UV-vis Absorption Spectroscopy.

    Science.gov (United States)

    Ishida, Ryo; Hayashi, Shun; Yamazoe, Seiji; Kato, Kazuo; Tsukuda, Tatsuya

    2017-06-01

    We previously reported that small (∼1.2 nm) gold clusters stabilized by poly(N-vinyl-2-pyrrolidone) (Au:PVP) exhibited a localized surface plasmon resonance (LSPR) band at ∼520 nm in the presence of NaBH 4 . To reveal the mechanism of this phenomenon, the electronic structure of Au:PVP during the reaction with NaBH 4 in air was examined by means of in situ X-ray absorption spectroscopy at Au L 3 -edge and UV-vis spectroscopy. These measurements indicated that the appearance of the LSPR band is not associated with the growth in size but is ascribed to electron doping to the Au sp band by the adsorbed H atoms.

  10. Fabrication of Porous Aluminum with Directional Pores through Continuous Casting Technique

    Science.gov (United States)

    Ide, T.; Iio, Y.; Nakajima, H.

    2012-12-01

    Lotus-type porous aluminum with slender directional pores is fabricated via a continuous casting technique in pressurized hydrogen or a mixed gas containing hydrogen and argon. The influence of solidification conditions such as hydrogen partial pressure, solidification velocity, temperature gradient, and melt temperature on the porosity and pore size is investigated. The porosity and pore size increase upon increasing the hydrogen partial pressure or the melt temperature, whereas the porosity and pore size decrease upon increasing the solidification velocity or the temperature gradient. Furthermore, the mechanism of pore formation in lotus aluminum is examined based on the results of an improved model of hydrogen mass balance in the solidification front, which was originally proposed by Yamamura et al. The results from the present model agree with the experimental results. We conclude that the diffusion of hydrogen rejected in the solidified aluminum near the solid/liquid interface is the most important factor for pore formation because the difference in hydrogen solubility between solid and liquid aluminum is very small.

  11. Hail hydrogen

    International Nuclear Information System (INIS)

    Hairston, D.

    1996-01-01

    After years of being scorned and maligned, hydrogen is finding favor in environmental and process applications. There is enormous demand for the industrial gas from petroleum refiners, who need in creasing amounts of hydrogen to remove sulfur and other contaminants from crude oil. In pulp and paper mills, hydrogen is turning up as hydrogen peroxide, displacing bleaching agents based on chlorine. Now, new technologies for making hydrogen have the industry abuzz. With better capabilities of being generated onsite at higher purity levels, recycled and reused, hydrogen is being prepped for a range of applications, from waste reduction to purification of Nylon 6 and hydrogenation of specialty chemicals. The paper discusses the strong market demand for hydrogen, easier routes being developed for hydrogen production, and the use of hydrogen in the future

  12. Aluminum Sulfate 18 Hydrate

    Science.gov (United States)

    Young, Jay A.

    2004-01-01

    A chemical laboratory information profile (CLIP) of the chemical, aluminum sulfate 18 hydrate, is presented. The profile lists physical and harmful properties, exposure limits, reactivity risks, and symptoms of major exposure for the benefit of teachers and students using the chemical in the laboratory.

  13. Applied Electrochemistry of Aluminum

    DEFF Research Database (Denmark)

    Li, Qingfeng; Qiu, Zhuxian

    Electrochemistry of aluminum is of special importance from both theoretical and technological point of view. It covers a wide range of electrolyte systems from molten fluoride melts at around 1000oC to room temperature molten salts, from aqueous to various organic media and from liquid to solid...

  14. Invisible Display in Aluminum

    DEFF Research Database (Denmark)

    Prichystal, Jan Phuklin; Hansen, Hans Nørgaard; Bladt, Henrik Henriksen

    2005-01-01

    for an integrated display in a metal surface is often ruled by design and functionality of a product. The integration of displays in metal surfaces requires metal removal in order to clear the area of the display to some extent. The idea behind an invisible display in Aluminum concerns the processing of a metal...

  15. Aluminum for Plasmonics

    Science.gov (United States)

    2014-01-01

    mini - mize the deleterious effects of the bulk metal oxide. Conversely, the optical scattering spectrum of an Al nanodisk can serve as a reporter of Al...Nanoparticles. J. Phys. Chem. C 2008, 112, 13958–13963. 22. Chowdhury, M. H.; Ray, K.; Gray, S. K.; Pond , J.; Lakowicz, J. R. Aluminum Nanoparticles as

  16. Aluminum battery alloys

    Science.gov (United States)

    Thompson, David S.; Scott, Darwin H.

    1985-01-01

    Aluminum alloys suitable for use as anode structures in electrochemical cs are disclosed. These alloys include iron levels higher than previously felt possible, due to the presence of controlled amounts of manganese, with possible additions of magnesium and controlled amounts of gallium.

  17. Methemoglobinemia in aluminum phosphide poisoning.

    Science.gov (United States)

    Shadnia, Shahin; Soltaninejad, Kambiz; Hassanian-Moghadam, Hossein; Sadeghi, Anahaita; Rahimzadeh, Hormat; Zamani, Nasim; Ghasemi-Toussi, Alireza; Abdollahi, Mohammad

    2011-03-01

    Acute aluminum phosphide (AlP) poisoning is one of the most common causes of acute pesticide poisoning in Iran. Hydrogen phosphide or phosphine gas is produced following reaction of AlP with water even at ambient humidity. Methemoglobinemia is a rare finding following phosphine poisoning. In this paper, two cases of fatal AlP poisoning complicated by methemoglobinemia are reported. Two patients presented following suicidal ingestion of AlP tablets. In the Emergency Department (ED), they received gastric lavage with sodium bicarbonate and potassium permanganate. Both of them received supportive care. In each case, hematuria and hemolysis were significant events. The patients also showed a decrease in O(2) saturation in spite of high FIO(2). Methemoglobin levels of 40% and 30% were detected by co-oximetry. Neither patient responded to treatment (ascorbic acid in one case, methylene blue in the other). Both patients died due to systemic effects of phosphine poisoning. Hemolysis and methemoglobinemia may complicate the course of phosphine poisoning that seems resistant to methylene blue and ascorbic acid. Therefore, other treatments including hyperbaric oxygen therapy and exchange blood transfusion should be considered.

  18. Borated aluminum alloy manufacturing technology

    International Nuclear Information System (INIS)

    Shimojo, Jun; Taniuchi, Hiroaki; Kajihara, Katsura; Aruga, Yasuhiro

    2003-01-01

    Borated aluminum alloy is used as the basket material of cask because of its light weight, thermal conductivity and superior neutron absorbing abilities. Kobe Steel has developed a unique manufacturing process for borated aluminum alloy using a vacuum induction melting method. In this process, aluminum alloy is melted and agitated at higher temperatures than common aluminum alloy fabrication methods. It is then cast into a mold in a vacuum atmosphere. The result is a high quality aluminum alloy which has a uniform boron distribution and no impurities. (author)

  19. Characterisation of the properties of bubbles in the aluminium hydrogen system using SANS and USANS techniques

    International Nuclear Information System (INIS)

    Buckley, C.; Birnbaum, H.K.; Hollar, E.; Bellmann, D.; Staron, P.; Udovic, T.J.

    1999-01-01

    Full text: Aluminum foils of 98.6 and 99.99% purity were charged with hydrogen using a gas plasma method, resulting in the introduction of a large amount of hydrogen. X-ray diffraction measurements indicated that within experimental error, there was a zero change in lattice parameter after plasma charging. This result indicates that hydrogen does not enters the lattice interstitially, but instead forms an H-vacancy complex at the surface which diffuses into the volume. Inelastic neutron scattering (INS), and transmission and scanning electron microscopy (TEM and SEM) results show that the H-vacancy complexes cluster together to form H 2 bubbles. The nature and agglomeration of the bubbles were studied using ultra small angle and small angle neutron scattering (USANS and SANS) technique. The USANS and SANS results indicated scattering from a wide range of bubble sizes from 2 molecules. Precision density measurements were used to determine the volume concentration of vacancy sites, and this result was compared with that calculated from the SANS and USANS experiment. The pressure of H 2 in a bubble of average volume, the lattice expansion and the number of vacancies per hydrogen were calculated from the SANS and USANS data, and these results are compared to the parameters determined from experiment

  20. Internal Heterogeneous Processes in Aluminum Combustion

    Science.gov (United States)

    Dreizin, E. L.

    1999-01-01

    This paper discusses the aluminum particle combustion mechanism which has been expanded by inclusion of gas dissolution processes and ensuing internal phase transformations. This mechanism is proposed based on recent normal and microgravity experiments with particles formed and ignited in a pulsed micro-arc. Recent experimental findings on the three stages observed in Al particle combustion in air and shows the burning particle radiation, trajectory (streak), smoke cloud shapes, and quenched particle interiors are summarized. During stage I, the radiation trace is smooth and the particle flame is spherically symmetric. The temperature measured using a three-color pyrometer is close to 3000 K. Because it exceeds the aluminum boiling point (2730 K), this temperature most likely characterizes the vapor phase flame zone rather than the aluminum surface. The dissolved oxygen content within particles quenched during stage I was below the detection sensitivity (about 1 atomic %) for Wavelength Dispersive Spectroscopy (WDS). After an increase in the radiation intensity (and simultaneous decrease in the measured color temperature from about 3000 to 2800 K) indicative of the transition to stage II combustion, the internal compositions of the quenched particles change. Both oxygen-rich (approx. 10 atomic %) and oxygen-lean (combustion behavior and the evolution of its internal composition, the change from the spherically symmetric to asymmetric flame shape occurring upon the transition from stage I to stage II combustion could not be understood based only on the fact that dissolved oxygen is detected in the particles. The connection between the two phenomena appeared even less significant because in earlier aluminum combustion studies carried in O2/Ar mixtures, flame asymmetry was not observed as opposed to experiments in air or O2/CO mixtures. It has been proposed that the presence of other gases, i.e., hydrogen, or nitrogen causes the change in the combustion regime.

  1. Temporal and spatial imaging of hydrogen storage materials: watching solvent and hydrogen desorption from aluminium hydride by transmission electron microscopy.

    Science.gov (United States)

    Beattie, Shane D; Humphries, Terry; Weaver, Louise; McGrady, G Sean

    2008-10-07

    An in situ thermal desorption study of solvated aluminum hydride (alane) by transmission electron microscopy and selected area diffraction has permitted characterisation of the structural and morphological changes during desorption of solvent and hydrogen in real-time; this powerful technique for studying hydrogen storage materials complements several others already employed.

  2. Thermal compatibility studies of unirradiated uranium silicide dispersed in aluminum

    International Nuclear Information System (INIS)

    Wiencek, T.C.; Domagala, R.F.; Thresh, H.R.

    1985-01-01

    Powder metallurgy dispersions of uranium silicides in an aluminum matrix have been developed by the international Reduced Enrichment for Research and Test Reactors program as a new generation of proliferation-resistant fuels. A major issue of concern is the compatibility of the fuel with the matrix material and the dimensional stability of this fuel type. A total of 45 miniplate-type fuel plates were annealed at 400 deg. C for up to 1981 hours. A data base for the thermal compatibility of unirradiated uranium silicide dispersed in aluminum was established. No modification tested of a standard fuel plate showed any significant reduction of the plate swelling. The cause of the thermal growth of silicide fuel plates was determined to be a two-step process: 1) the reaction of the uranium silicide with aluminum to form U(AlSi) 3 and 2) the release of hydrogen and subsequent creep and pillowing of the fuel plate. (author)

  3. Reaction of the C3(X1Σg+) carbon cluster with H2S(X1A1), hydrogen sulfide: Photon-induced formation of C3S, tricarbon sulfur

    Science.gov (United States)

    Roehr, Nathan P.; Szczepanski, Jan; Fu, Yi; Polfer, Nicolas C.; Vala, Martin

    2014-11-01

    In this paper we report on the neutral-neutral reaction of the C3 carbon cluster with H2S in solid inert argon at 12 K, conditions that mimic, in part, the surfaces of interstellar grains. In the first step of the reaction, a C3•H2S complex is formed via an almost barrierless entrance addition mechanism. This complex, stabilized by an estimated 7.45 kJ/mol (CCSD(T)/aug-cc-pVTZ//B3LYP/6-311++G(d,p) level), is formed by the interaction of a terminal carbon of C3 with a hydrogen in H2S. This con-covalent complex displays a band at 2044.1 cm-1 observed via Fourier transform infrared absorption spectroscopy. With the help of the MP2/aug-ccpVDZ level method, this band is assigned to the CC asymmetric vibration mode. When the complex is exposed to UV-visible photons (hν ground-state potential energy surfaces also confirm the concomitant formation of molecular H2. This facile reaction pathway involves an attainable transition state of 174.4 kJ/mol. Conversely, competing lower-energy reaction pathways that would lead to the generation of H2C3S (propadienethione), or C2H2 (acetylene) and CS, involve much more complex, multi-stage pathways, and are not observed experimentally.

  4. Abundance of interstellar aluminum

    Science.gov (United States)

    Barker, E. S.; Lugger, P. M.; Weiler, E. J.; York, D. G.

    1984-01-01

    New observations of Al II 1670 A, the only line of the dominant ionization stage of interstellar aluminum detected to date, are presented. Observations of ionized silicon are used to define an empirical curve of growth from which aluminum depletions can be derived. The depletion ranges from a factor of 10 in alpha Vir, with E(B-V) of about 0.04, to a factor of 1000 in omicron Per. The depletion is similar to that of iron, but a factor of 2-10 lower than that for silicon in the same stars. The observations of near-UV lines using the Copernicus V1 tubes with removal of a high cosmic-ray-induced fluorescent background are described.

  5. Behavior of aluminum in aluminum welders and manufacturers of aluminum sulfate--impact on biological monitoring.

    Science.gov (United States)

    Riihimäki, Vesa; Valkonen, Sinikka; Engström, Bernt; Tossavainen, Antti; Mutanen, Pertti; Aitio, Antero

    2008-12-01

    The suitability of determining aluminum in serum or urine as a form of biological monitoring was critically assessed. Airborne and internal aluminum exposure was assessed for 12 aluminum welders in a shipyard and 5 manufacturers of aluminum sulfate. Particles were characterized with X-ray diffraction and scanning electron microscopy. Aluminum in air and biological samples was analyzed using electrothermal atomic absorption spectrometry. Basic toxicokinetic features were inferred from the data. The mean 8-hour time-weighted average concentration of aluminum was 1.1 (range 0.008-6.1) mg/m(3) for the shipyard and 0.13 (range 0.02-0.5) mg/m(3) for the aluminum sulfate plant. Welding fume contained aluminum oxide particles aluminum sulfate particles ranged from 1 to 10 microm in diameter. The shipyard welders' mean postshift serum and urinary concentrations of aluminum (S-Al and U-Al, respectively) were 0.22 and 3.4 micromol/l, respectively, and the aluminum sulfate workers' corresponding values were 0.13 and 0.58 micromol/l. Between two shifts, the welders' S-Al concentration decreased by about 50% (Paluminum sulfate workers. After aluminum welding at the shipyard had ceased, the median S-Al concentration decreased by about 50% (P=0.007) within a year, but there was no change (P=0.75) in the corresponding U-Al concentration. About 1% of aluminum in welding fume appears to be rapidly absorbed from the lungs, whereas an undetermined fraction is retained and forms a lung burden. A higher fractional absorption of aluminum seems possible for aluminum sulfate workers without evidence of a lung burden. After rapid absorption, aluminum is slowly mobilized from the lung burden and dominates the S-Al and U-Al concentrations of aluminum welders. For kinetic reasons, S-Al or U-Al concentrations cannot be used to estimate the accumulation of aluminum in the target organs of toxicity. However, using U-Al analysis to monitor aluminum welders' lung burden seems practical.

  6. Investigation on Formation Mechanism of Irregular Shape Porosity in Hypoeutectic Aluminum Alloy by X-Ray Real Time Observation

    Science.gov (United States)

    Liao, Hengcheng; Zhao, Lei; Wu, Yuna; Fan, Ran; Wang, Qigui; Pan, Ye

    2012-08-01

    The formation mechanism of irregular shape porosity in hypoeutectic aluminum silicon alloy (A356) was investigated by X-ray real time observation on porosity evolution during solidification and re-melting. Porosity in the hypoeutectic aluminum A356 alloy with high hydrogen content (>0.3 mL/100 g Al) first forms in the liquid as small spherical gas bubbles, then expands along with the pressure drop in the mushy zone due to shrinkage and lack of feeding, and finally deforms into irregular morphology by the impingement of aluminum dendrite network. Degassing is a key to eliminate porosity in aluminum alloy castings.

  7. Research on Melt Degassing Processes of High Conductivity Hard Drawn Aluminum Wire

    Science.gov (United States)

    Xu, Xuexia; Feng, Yanting; Wang, Qing; Li, Wenbin; Fan, Hui; Wang, Yong; Li, Guowei; Zhang, Daoqian

    2018-03-01

    Degassing effects of ultrasonic and vacuum processes on high conductivity hard drawn aluminum melt were studied. Results showed that the degassing efficiency improved with the increase of ultrasonic power within certain range, stabilizing at 70% with 240W. For vacuum degassing process, hydrogen content of aluminum melt decreased with the loading time and was linear with logarithm of vacuum degree. Comparison of degassing effects of ultrasonic, vacuum, vacuum-ultrasonic degassing process showed that vacuum-ultrasonic process presented optimal effect.

  8. Hydrogen highway

    International Nuclear Information System (INIS)

    Anon

    2008-01-01

    The USA Administration would like to consider the US power generating industry as a basis ensuring both the full-scale production of hydrogen and the widespread use of the hydrogen related technological processes into the economy [ru

  9. Cluster headache

    Science.gov (United States)

    Histamine headache; Headache - histamine; Migrainous neuralgia; Headache - cluster; Horton's headache; Vascular headache - cluster ... Doctors do not know exactly what causes cluster headaches. They ... (chemical in the body released during an allergic response) or ...

  10. Technology for High Pure Aluminum Oxide Production from Aluminum Scrap

    Science.gov (United States)

    Ambaryan, G. N.; Vlaskin, M. S.; Shkolnikov, E. I.; Zhuk, A. Z.

    2017-10-01

    In this study a simple ecologically benign technology of high purity alumina production is presented. The synthesis process consists of three steps) oxidation of aluminum in water at temperature of 90 °C) calcinations of Al hydroxide in atmosphere at 1100 °C) high temperature vacuum processing of aluminum alpha oxide at 1750 °C. Oxidation of aluminum scrap was carried out under intensive mixing in water with small addition of KOH as a catalyst. It was shown that under implemented experimental conditions alkali was continuously regenerated during oxidation reaction and synergistic effect of low content alkali aqueous solution and intensive mixing worked. The product of oxidation of aluminum scrap is the powder of Al(OH)3. Then it can be preliminary granulated or directly subjected to thermal treatment deleting the impurities from the product (aluminum oxide). It was shown the possibility to produce the high-purity aluminum oxide of 5N grade (99.999 %). Aluminum oxide, synthesized by means of the proposed method, meets the requirements of industrial manufacturers of synthetic sapphire (aluminum oxide monocrystals). Obtained high pure aluminum oxide can be also used for the manufacture of implants, artificial joints, microscalpels, high-purity ceramics and other refractory shapes for manufacture of ultra-pure products.

  11. Fabrication of Lotus-Type Porous Aluminum through Thermal Decomposition Method

    Science.gov (United States)

    Kim, S. Y.; Park, J. S.; Nakajima, H.

    2009-04-01

    Lotus-type porous aluminum with cylindrical pores was fabricated by unidirectional solidification through thermal decomposition of calcium hydroxide, sodium bicarbonate, or titanium hydride. The pore-forming gas decomposed from calcium hydroxide, sodium bicarbonate, and titanium hydride is identified as hydrogen. The elongated pores are evolved due to the solubility gap between liquid and solid when the melt dissolving hydrogen is solidified unidirectionally. The porosity of lotus aluminum is as high as 20 pct despite the type of the compounds. The pore size decreases and the pore density increases with increasing amount of calcium hydroxide, which is explained by an increase in the number of pore nucleation sites. The porosity and pore size in lotus aluminum fabricated using calcium hydroxide decrease with increasing argon pressure, which is explained by Boyle’s law. It is suggested that this fabrication method is simple and safe, which makes it superior to the conventional technique using high-pressure hydrogen gas.

  12. Preparation of Phosphonic Acid Functionalized Graphene Oxide-modified Aluminum Powder with Enhanced Anticorrosive Properties

    Science.gov (United States)

    He, Lihua; Zhao, Yan; Xing, Liying; Liu, Pinggui; Wang, Zhiyong; Zhang, Youwei; Liu, Xiaofang

    2017-07-01

    To improve the anticorrosive performance of aluminum powder, a common functional filler in polymer coatings, we report a novel method to prepare graphene oxide modified aluminum powder (GO-Al) using 3-aminoproplyphosphoic acid as "link" agent. The GO nanosheets were firstly functionalized with 3-aminoproplyphosphoic acid (APSA) by the reaction of amine groups of APSA and the epoxy groups of GO. Subsequently, a layer of GO nanosheets uniformly and tightly covered the surface of flaky aluminum particle though the strong linking strength between -PO(OH)2 functional groups of the modified GO and aluminum. The hydrogen evolution experiment suggests that the GO attached on the aluminum powder could effectively improve the anticorrosive performance of the pigments.

  13. Aluminum Carbothermic Technology

    Energy Technology Data Exchange (ETDEWEB)

    Bruno, Marshall J.

    2005-03-31

    This report documents the non-proprietary research and development conducted on the Aluminum Carbothermic Technology (ACT) project from contract inception on July 01, 2000 to termination on December 31, 2004. The objectives of the program were to demonstrate the technical and economic feasibility of a new carbothermic process for producing commercial grade aluminum, designated as the ''Advanced Reactor Process'' (ARP). The scope of the program ranged from fundamental research through small scale laboratory experiments (65 kW power input) to larger scale test modules at up to 1600 kW power input. The tasks included work on four components of the process, Stages 1 and 2 of the reactor, vapor recovery and metal alloy decarbonization; development of computer models; and economic analyses of capital and operating costs. Justification for developing a new, carbothermic route to aluminum production is defined by the potential benefits in reduced energy, lower costs and more favorable environmental characteristics than the conventional Hall-Heroult process presently used by the industry. The estimated metrics for these advantages include energy rates at approximately 10 kWh/kg Al (versus over 13 kWh/kg Al for Hall-Heroult), capital costs as low as $1250 per MTY (versus 4,000 per MTY for Hall-Heroult), operating cost reductions of over 10%, and up to 37% reduction in CO2 emissions for fossil-fuel power plants. Realization of these benefits would be critical to sustaining the US aluminum industries position as a global leader in primary aluminum production. One very attractive incentive for ARP is its perceived ability to cost effectively produce metal over a range of smelter sizes, not feasible for Hall-Heroult plants which must be large, 240,000 TPY or more, to be economical. Lower capacity stand alone carbothermic smelters could be utilized to supply molten metal at fabrication facilities similar to the mini-mill concept employed by the steel industry

  14. Versatile Hydrogen

    Indian Academy of Sciences (India)

    H m . Some of these compounds have fascinating structures (1,2,3). However the most interesting interaction of hydrogen, is the hydrogen bond. When a hydrogen atom is bound to an electronegative element it acquires a slight positive charge. As a result, it is attracted to other atoms such as nitrogen or oxygen in the ...

  15. Hydrogen Production

    Energy Technology Data Exchange (ETDEWEB)

    None

    2014-09-01

    This 2-page fact sheet provides a brief introduction to hydrogen production technologies. Intended for a non-technical audience, it explains how different resources and processes can be used to produce hydrogen. It includes an overview of research goals as well as “quick facts” about hydrogen energy resources and production technologies.

  16. 21 CFR 73.1645 - Aluminum powder.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 1 2010-04-01 2010-04-01 false Aluminum powder. 73.1645 Section 73.1645 Food and... ADDITIVES EXEMPT FROM CERTIFICATION Drugs § 73.1645 Aluminum powder. (a) Identity. (1) The color additive aluminum powder shall be composed of finely divided particles of aluminum prepared from virgin aluminum. It...

  17. Origin of 6-fold coordinated aluminum at (010-type pyrophyllite edges

    Directory of Open Access Journals (Sweden)

    M. Okumura

    2017-05-01

    Full Text Available To better understand the aqueous chemical reactivity of clay mineral edges we explored the relationships between hydration and the structure of (010-type edges of pyrophyllite. In particular, we used density functional theory and the quantum theory of atoms in molecules to evaluate the stability of 6-fold coordinated hydrated aluminum at the edge in terms of the electron density distribution. Geometrical optimization revealed an intra-edge hydrogen bond network between aluminol hydroxyls and water ligands completing the aluminum coordination shell. From the electron density isosurfaces one water ligand is not covalently bonded to aluminum. Bader charge analysis revealed that OH2 ligands have small negative charge. In addition, it is also found that the charge of the 6-fold coordinated aluminum is larger than one of the 5-fold aluminum. From these results, the charging of the OH2 ligands is interpreted as charge transfer originated from the formation of the hydrogen bond network and not from Al-OH2 interaction per se. This suggests that the weakly bound water ligand in question, and more generally 6-fold hydrated edge Al coordination, is stabilized primarily by the hydrogen bond network which in turn leads to weak ionic attraction to the aluminum center itself. The finding highlights the importance of cooperative effects between solvent structure and the coordination of metal cations exposed at clay mineral edges.

  18. Cryogenic system for liquid hydrogen polarimeter

    International Nuclear Information System (INIS)

    Kitami, T.; Chiba, M.; Hirabayashi, H.; Ishii, T.; Kato, S.

    1979-01-01

    A cryogenic system has been constructed for a liquid hydrogen polarimeter in order to measure polarization of high energy proton at the 1.3 GeV electron synchrotron of Institute for Nuclear Study, University of Tokyo. The system principally consists of a cryogenerator with a cryogenic transfer line, a liquid hydrogen cryostat, and a 14.5 l target container of thin aluminum alloy where liquid hydrogen is served for the experiment. The refrigeration capacity is about 54 W at 20.4 K without a target container. (author)

  19. Hydrogenation properties of Mg-Al alloys

    DEFF Research Database (Denmark)

    Andreasen, Anders

    2008-01-01

    to disproportionation with the formation of magnesium hydride and metallic aluminum as the final product. Experimental evidence renders this process reversible. It is observed that the enthalpy of hydride formation of magnesium is lowered upon alloying with Al due to a slightly endothermic disproportionation reaction......In this paper the properties of Mg-Al alloys in relation to hydrogen storage are reviewed. The main topics of this paper are materials preparation, hydrogen capacity, thermodynamics of hydride formation, and the kinetics of hydride formation and decomposition. Hydrogenation of Mg-Al leads...

  20. Fundamental Studies on Aluminum Soaps

    Science.gov (United States)

    1944-06-01

    loosely bound lauric acid in aluminum dilaurate giving results accurate probably to 0.1 - 0.2# and reproducible to ubdtit ,𔃺.05^, The method...proceeds at the steady rate quoted above» Therefore the lauric acid is not hold in the form of solid solution which would give a constantly...both from lauric acid and aluminum dilaurate. It is extremely unlikely that aluminum trilaurate, AIL3, would rapidly yield dilaurate with dry acetone

  1. Aluminum and Other Coatings for the Passivation of Tritium Storage Vessels

    Energy Technology Data Exchange (ETDEWEB)

    Spencer, W. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Korinko, P. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2016-11-16

    Using a highly sensitive residual gas analyzer, the off-gassing of hydrogen, water, and hydrocarbons from surface-treated storage vessels containing deuterium was measured. The experimental storage vessels were compared to a low-off-gassing, electro-polished 304L canister. Alternative vessels were made out of aluminum, or were coatings on 304L steel. Coatings included powder pack aluminide, electro-plated aluminum, powder pack chromide, dense electro-plated chromium, copper plated, and copper plated with 25 and 50 percent nano-diamond. Vessels were loaded with low pressure deuterium to observe exchange with protium or hydrogen as observed with formation of HD and HDO. Off gas of D2O or possible CD4 was observed at mass 20. The main off-gas in all of the studies was H2. The studies indicated that coatings required significant post-coating treatment to reduce off-gas and enhance the permeation barrier from gases likely added during the coating process. Dense packed aluminum coatings needed heating to drive off water. Electro-plated aluminum, chromium and copper coatings appeared to trap hydrogen from the plating process. Nano-diamond appeared to enhance the exchange rate with hydrogen off gas, and its coating process trapped significant amounts of hydrogen. Aluminum caused more protium exchange than chromium-treated surfaces. Aluminum coatings released more water, but pure aluminum vessels released small amounts of hydrogen, little water, and generally performed well. Chromium coating had residual hydrogen that was difficult to totally outgas but otherwise gave low residuals for water and hydrocarbons. Our studies indicated that simple coating of as received 304L metal will not adequately block hydrogen. The base vessel needs to be carefully out-gassed before applying a coating, and the coating process will likely add additional hydrogen that must be removed. Initial simple bake-out and leak checks up to 350° C for a few hours was

  2. Hydrogen economy

    Energy Technology Data Exchange (ETDEWEB)

    Pahwa, P.K.; Pahwa, Gulshan Kumar

    2013-10-01

    In the future, our energy systems will need to be renewable and sustainable, efficient and cost-effective, convenient and safe. Hydrogen has been proposed as the perfect fuel for this future energy system. The availability of a reliable and cost-effective supply, safe and efficient storage, and convenient end use of hydrogen will be essential for a transition to a hydrogen economy. Research is being conducted throughout the world for the development of safe, cost-effective hydrogen production, storage, and end-use technologies that support and foster this transition. This book discusses hydrogen economy vis-a-vis sustainable development. It examines the link between development and energy, prospects of sustainable development, significance of hydrogen energy economy, and provides an authoritative and up-to-date scientific account of hydrogen generation, storage, transportation, and safety.

  3. Selective Conversion of Methane by Rh1-Doped Aluminum Oxide Cluster Anions RhAl2O4-: A Comparison with the Reactivity of PtAl2O4.

    Science.gov (United States)

    Li, Ya-Ke; Zhao, Yan-Xia; He, Sheng-Gui

    2018-04-04

    Studying the elementary reactions of single-noble-metal-atom-doped species can give theoretical guidance for the design of related single-atom catalysis. Using a combination of mass spectrometry and density functional theory calculations, the reaction of RhAl 2 O 4 - with the most stable alkane molecule CH 4 under thermal conditions has been studied. The methane tends to be converted into syngas (free H 2 and adsorbed CO) with activation of four C-H bonds. In sharp contrast, formaldehyde was generated in the previously reported reaction of PtAl 2 O 4 - with CH 4 . Density functional theory calculations show that the difference in reactivity between RhAl 2 O 4 - and PtAl 2 O 4 - is found to be due to a higher energy barrier of the third C-H bond activation for the Pt analogue. This work provides the first comparative study on the reactivity of single noble-metal atoms (Rh, Pt) on the same cluster support (Al 2 O 4 - ) and can be helpful for rational design of single-atom catalysts for selective methane conversion.

  4. Production of aluminum metal by electrolysis of aluminum sulfide

    Science.gov (United States)

    Minh, N.Q.; Loutfy, R.O.; Yao, N.P.

    1982-04-01

    Metallic aluminum may be produced by the electrolysis of Al/sub 2/S/sub 3/ at 700 to 800/sup 0/C in a chloride melt composed of one or more alkali metal chlorides, and one or more alkaline earth metal chlorides and/or aluminum chloride to provide improved operating characteristics of the process.

  5. Aluminum nitride grating couplers.

    Science.gov (United States)

    Ghosh, Siddhartha; Doerr, Christopher R; Piazza, Gianluca

    2012-06-10

    Grating couplers in sputtered aluminum nitride, a piezoelectric material with low loss in the C band, are demonstrated. Gratings and a waveguide micromachined on a silicon wafer with 600 nm minimum feature size were defined in a single lithography step without partial etching. Silicon dioxide (SiO(2)) was used for cladding layers. Peak coupling efficiency of -6.6 dB and a 1 dB bandwidth of 60 nm have been measured. This demonstration of wire waveguides and wideband grating couplers in a material that also has piezoelectric and elasto-optic properties will enable new functions for integrated photonics and optomechanics.

  6. Dynamic Property of Aluminum Foam

    Directory of Open Access Journals (Sweden)

    S Irie

    2016-09-01

    Full Text Available Aluminum in the foam of metallic foam is in the early stage of industrialization. It has various beneficial characteristics such as being lightweight, heat resistance, and an electromagnetic radiation shield. Therefore, the use of aluminum foam is expected to reduce the weight of equipment for transportation such as the car, trains, and aircraft. The use as energy absorption material is examined. Moreover aluminum foam can absorb the shock wave, and decrease the shock of the blast. Many researchers have reported about aluminum foam, but only a little information is available for high strain rates (103 s-1 or more. Therefore, the aluminum foam at high strain rates hasn't been not characterized yet. The purpose in this research is to evaluate the behavior of the aluminum form in the high-strain rate. In this paper, the collision test on high strain rate of the aluminum foam is investigated. After experiment, the numerical analysis model will be made. In this experiment, a powder gun was used to generate the high strain rate in aluminum foam. In-situ PVDF gauges were used for measuring pressure and the length of effectiveness that acts on the aluminum foam. The aluminum foam was accelerated to about 400 m/s from deflagration of single component powder and the foam were made to collide with the PVDF gauge. The high strain rate deformation of the aluminum form was measured at two collision speeds. As for the result, pressure was observed to go up rapidly when about 70% was compressed. From this result, it is understood that complete crush of the cell is caused when the relative volume is about 70%. In the next stage, this data will be compared with the numerical analysis.

  7. Biomimetic hydrogen production

    Energy Technology Data Exchange (ETDEWEB)

    Krassen, Henning

    2009-05-15

    Hydrogenases catalyze the reduction of protons to molecular hydrogen with outstanding efficiency. An electrode surface which is covered with active hydrogenase molecules becomes a promising alternative to platinum for electrochemical hydrogen production. To immobilize the hydrogenase on the electrode, the gold surface was modified by heterobifunctional molecules. A thiol headgroup on one side allowed the binding to the gold surface and the formation of a self-assembled monolayer. The other side of the molecules provided a surface with a high affinity for the hydrogenase CrHydA1 from Chlamydomonas reinhardtii. With methylviologen as a soluble energy carrier, electrons were transferred from carboxy-terminated electrodes to CrHydA1 and conducted to the active site (H-cluster), where they reduce protons to molecular hydrogen. A combined approach of surface-enhanced infrared absorption spectroscopy, gas chromatography, and surface plasmon resonance allowed quantifying the hydrogen production on a molecular level. Hydrogen was produced with a rate of 85 mol H{sub 2} min{sup -1} mol{sup -1}. On a 1'- benzyl-4,4'-bipyridinum (BBP)-terminated surface, the electrons were mediated by the monolayer and no soluble electron carrier was necessary to achieve a comparable hydrogen production rate (approximately 50% of the former system). The hydrogen evolution potential was determined to be -335 mV for the BBP-bound hydrogenase and -290 mV for the hydrogenase which was immobilized on a carboxy-terminated mercaptopropionic acid SAM. Therefore, both systems significantly reduce the hydrogen production overpotential and allow electrochemical hydrogen production at an energy level which is close to the commercially applied platinum electrodes (hydrogen evolution potential of -270 mV). In order to couple hydrogen production and photosynthesis, photosystem I (PS1) from Synechocystis PCC 6803 and membrane-bound hydrogenase (MBH) from Ralstonia eutropha were bound to each other

  8. Hydrogen safety

    International Nuclear Information System (INIS)

    Frazier, W.R.

    1991-01-01

    The NASA experience with hydrogen began in the 1950s when the National Advisory Committee on Aeronautics (NACA) research on rocket fuels was inherited by the newly formed National Aeronautics and Space Administration (NASA). Initial emphasis on the use of hydrogen as a fuel for high-altitude probes, satellites, and aircraft limited the available data on hydrogen hazards to small quantities of hydrogen. NASA began to use hydrogen as the principal liquid propellant for launch vehicles and quickly determined the need for hydrogen safety documentation to support design and operational requirements. The resulting NASA approach to hydrogen safety requires a joint effort by design and safety engineering to address hydrogen hazards and develop procedures for safe operation of equipment and facilities. NASA also determined the need for rigorous training and certification programs for personnel involved with hydrogen use. NASA's current use of hydrogen is mainly for large heavy-lift vehicle propulsion, which necessitates storage of large quantities for fueling space shots and for testing. Future use will involve new applications such as thermal imaging

  9. Aluminum Nanoholes for Optical Biosensing

    Directory of Open Access Journals (Sweden)

    Carlos Angulo Barrios

    2015-07-01

    Full Text Available Sub-wavelength diameter holes in thin metal layers can exhibit remarkable optical features that make them highly suitable for (biosensing applications. Either as efficient light scattering centers for surface plasmon excitation or metal-clad optical waveguides, they are able to form strongly localized optical fields that can effectively interact with biomolecules and/or nanoparticles on the nanoscale. As the metal of choice, aluminum exhibits good optical and electrical properties, is easy to manufacture and process and, unlike gold and silver, its low cost makes it very promising for commercial applications. However, aluminum has been scarcely used for biosensing purposes due to corrosion and pitting issues. In this short review, we show our recent achievements on aluminum nanohole platforms for (biosensing. These include a method to circumvent aluminum degradation—which has been successfully applied to the demonstration of aluminum nanohole array (NHA immunosensors based on both, glass and polycarbonate compact discs supports—the use of aluminum nanoholes operating as optical waveguides for synthesizing submicron-sized molecularly imprinted polymers by local photopolymerization, and a technique for fabricating transferable aluminum NHAs onto flexible pressure-sensitive adhesive tapes, which could facilitate the development of a wearable technology based on aluminum NHAs.

  10. Aluminum Nanoholes for Optical Biosensing.

    Science.gov (United States)

    Barrios, Carlos Angulo; Canalejas-Tejero, Víctor; Herranz, Sonia; Urraca, Javier; Moreno-Bondi, María Cruz; Avella-Oliver, Miquel; Maquieira, Ángel; Puchades, Rosa

    2015-07-09

    Sub-wavelength diameter holes in thin metal layers can exhibit remarkable optical features that make them highly suitable for (bio)sensing applications. Either as efficient light scattering centers for surface plasmon excitation or metal-clad optical waveguides, they are able to form strongly localized optical fields that can effectively interact with biomolecules and/or nanoparticles on the nanoscale. As the metal of choice, aluminum exhibits good optical and electrical properties, is easy to manufacture and process and, unlike gold and silver, its low cost makes it very promising for commercial applications. However, aluminum has been scarcely used for biosensing purposes due to corrosion and pitting issues. In this short review, we show our recent achievements on aluminum nanohole platforms for (bio)sensing. These include a method to circumvent aluminum degradation--which has been successfully applied to the demonstration of aluminum nanohole array (NHA) immunosensors based on both, glass and polycarbonate compact discs supports--the use of aluminum nanoholes operating as optical waveguides for synthesizing submicron-sized molecularly imprinted polymers by local photopolymerization, and a technique for fabricating transferable aluminum NHAs onto flexible pressure-sensitive adhesive tapes, which could facilitate the development of a wearable technology based on aluminum NHAs.

  11. Aluminum Nanoholes for Optical Biosensing

    Science.gov (United States)

    Barrios, Carlos Angulo; Canalejas-Tejero, Víctor; Herranz, Sonia; Urraca, Javier; Moreno-Bondi, María Cruz; Avella-Oliver, Miquel; Maquieira, Ángel; Puchades, Rosa

    2015-01-01

    Sub-wavelength diameter holes in thin metal layers can exhibit remarkable optical features that make them highly suitable for (bio)sensing applications. Either as efficient light scattering centers for surface plasmon excitation or metal-clad optical waveguides, they are able to form strongly localized optical fields that can effectively interact with biomolecules and/or nanoparticles on the nanoscale. As the metal of choice, aluminum exhibits good optical and electrical properties, is easy to manufacture and process and, unlike gold and silver, its low cost makes it very promising for commercial applications. However, aluminum has been scarcely used for biosensing purposes due to corrosion and pitting issues. In this short review, we show our recent achievements on aluminum nanohole platforms for (bio)sensing. These include a method to circumvent aluminum degradation—which has been successfully applied to the demonstration of aluminum nanohole array (NHA) immunosensors based on both, glass and polycarbonate compact discs supports—the use of aluminum nanoholes operating as optical waveguides for synthesizing submicron-sized molecularly imprinted polymers by local photopolymerization, and a technique for fabricating transferable aluminum NHAs onto flexible pressure-sensitive adhesive tapes, which could facilitate the development of a wearable technology based on aluminum NHAs. PMID:26184330

  12. Hydrogen Embrittlement

    Science.gov (United States)

    Woods, Stephen; Lee, Jonathan A.

    2016-01-01

    Hydrogen embrittlement (HE) is a process resulting in a decrease in the fracture toughness or ductility of a metal due to the presence of atomic hydrogen. In addition to pure hydrogen gas as a direct source for the absorption of atomic hydrogen, the damaging effect can manifest itself from other hydrogen-containing gas species such as hydrogen sulfide (H2S), hydrogen chloride (HCl), and hydrogen bromide (HBr) environments. It has been known that H2S environment may result in a much more severe condition of embrittlement than pure hydrogen gas (H2) for certain types of alloys at similar conditions of stress and gas pressure. The reduction of fracture loads can occur at levels well below the yield strength of the material. Hydrogen embrittlement is usually manifest in terms of singular sharp cracks, in contrast to the extensive branching observed for stress corrosion cracking. The initial crack openings and the local deformation associated with crack propagation may be so small that they are difficult to detect except in special nondestructive examinations. Cracks due to HE can grow rapidly with little macroscopic evidence of mechanical deformation in materials that are normally quite ductile. This Technical Memorandum presents a comprehensive review of experimental data for the effects of gaseous Hydrogen Environment Embrittlement (HEE) for several types of metallic materials. Common material screening methods are used to rate the hydrogen degradation of mechanical properties that occur while the material is under an applied stress and exposed to gaseous hydrogen as compared to air or helium, under slow strain rates (SSR) testing. Due to the simplicity and accelerated nature of these tests, the results expressed in terms of HEE index are not intended to necessarily represent true hydrogen service environment for long-term exposure, but rather to provide a practical approach for material screening, which is a useful concept to qualitatively evaluate the severity of

  13. Feasibility Study and Demonstration of an Aluminum and Ice Solid Propellant

    Directory of Open Access Journals (Sweden)

    Timothee L. Pourpoint

    2012-01-01

    Full Text Available Aluminum-water reactions have been proposed and studied for several decades for underwater propulsion systems and applications requiring hydrogen generation. Aluminum and water have also been proposed as a frozen propellant, and there have been proposals for other refrigerated propellants that could be mixed, frozen in situ, and used as solid propellants. However, little work has been done to determine the feasibility of these concepts. With the recent availability of nanoscale aluminum, a simple binary formulation with water is now feasible. Nanosized aluminum has a lower ignition temperature than micron-sized aluminum particles, partly due to its high surface area, and burning times are much faster than micron aluminum. Frozen nanoscale aluminum and water mixtures are stable, as well as insensitive to electrostatic discharge, impact, and shock. Here we report a study of the feasibility of an nAl-ice propellant in small-scale rocket experiments. The focus here is not to develop an optimized propellant; however improved formulations are possible. Several static motor experiments have been conducted, including using a flight-weight casing. The flight weight casing was used in the first sounding rocket test of an aluminum-ice propellant, establishing a proof of concept for simple propellant mixtures making use of nanoscale particles.

  14. Why hydrogen

    International Nuclear Information System (INIS)

    2004-02-01

    The energy consumption increase and the associated environmental risks, led to develop new energy sources. The authors present the potentialities of the hydrogen in this context of energy supply safety. They detail the today market and the perspectives, the energy sources for the hydrogen production (fossils, nuclear and renewable), the hydrogen transport, storage, distribution and conversion, the application domains, the associated risks. (A.L.B.)

  15. A Model for Gas Microporosity in Aluminum and Magnesium Alloys

    Science.gov (United States)

    Felicelli, Sergio D.; Wang, Liang; Pita, Claudio M.; Escobar de Obaldia, Enrique

    2009-04-01

    A quantitative prediction of the amount of gas microporosity in aluminum and magnesium-alloy castings is performed with a continuum model of dendritic solidification. The distribution of the pore volume fraction and pore size is calculated from a set of conservation equations that solves the transport phenomena during solidification at the macroscale and the hydrogen diffusion into the pores at the microscale. A technique based on a pseudo-alloy solute that is transported by the melt is used to determine the potential sites of pore growth, subject to considerations of mechanical and thermodynamic equilibrium. The modeling results for aluminum alloy A356 are found to agree well with published studies. In view of the limited availability of experimental data for Mg-alloy gravity-poured castings, the formation of porosity in AZ91 is studied qualitatively, assuming that casting conditions are similar to A356. In particular, the minimum initial hydrogen content that leads to the formation of gas porosity was compared for both alloys. It is found that the initial hydrogen content necessary for forming porosity is much higher in AZ91 than in A356. This is attributed to significant differences in the solubility of the hydrogen in both alloys.

  16. Hydrogen millennium

    International Nuclear Information System (INIS)

    Bose, T.K.; Benard, P.

    2000-05-01

    The 10th Canadian Hydrogen Conference was held at the Hilton Hotel in Quebec City from May 28 to May 31, 2000. The topics discussed included current drivers for the hydrogen economy, the international response to these drivers, new initiatives, sustainable as well as biological and hydrocarbon-derived production of hydrogen, defense applications of fuel cells, hydrogen storage on metal hydrides and carbon nanostructures, stationary power and remote application, micro-fuel cells and portable applications, marketing aspects, fuel cell modeling, materials, safety, fuel cell vehicles and residential applications. (author)

  17. Validity of the Aluminum Equivalent Approximation in Space Radiation Shielding

    Science.gov (United States)

    Badavi, Francis F.; Adams, Daniel O.; Wilson, John W.

    2009-01-01

    thickness, the current range will be sufficient to evaluate the qualitative usefulness of the aluminum equivalent approximation. Upon establishing the inaccuracies of the aluminum equivalent approximation through numerical simulations of the GCR radiation field attenuation for PE and aluminum equivalent PE spherical shells, we Anther present results for a limited set of commercially available, hydrogen rich, multifunctional polymeric constituents to assess the effect of the aluminum equivalent approximation on their radiation attenuation response as compared to the generic PE.

  18. Aluminum anode for aluminum-air battery - Part I: Influence of aluminum purity

    Science.gov (United States)

    Cho, Young-Joo; Park, In-Jun; Lee, Hyeok-Jae; Kim, Jung-Gu

    2015-03-01

    2N5 commercial grade aluminum (99.5% purity) leads to the lower aluminum-air battery performances than 4N high pure grade aluminum (99.99% purity) due to impurities itself and formed impurity complex layer which contained Fe, Si, Cu and others. The impurity complex layer of 2N5 grade Al declines the battery voltage on standby status. It also depletes discharge current and battery efficiency at 1.0 V which is general operating voltage of aluminum-air battery. However, the impurity complex layer of 2N5 grade Al is dissolved with decreasing discharge voltage to 0.8 V. This phenomenon leads to improvement of discharge current density and battery efficiency by reducing self-corrosion reaction. This study demonstrates the possibility of use of 2N5 grade Al which is cheaper than 4N grade Al as the anode for aluminum-air battery.

  19. Homogeneous nucleation with magic numbers: aluminum.

    Science.gov (United States)

    Girshick, Steven L; Agarwal, Pulkit; Truhlar, Donald G

    2009-10-07

    Homogeneous nucleation of clusters that exhibit magic numbers is studied numerically, using as an example aluminum at 2000 K, based on recent calculations of free energies [Li et al., J. Phys. Chem. C 111, 16227 (2007)] and condensation rate constants [Li and Truhlar, J. Phys. Chem. C 112, 11109 (2008)] that provide a database for Al(i) up to i=60. The nucleation behavior for saturation ratios greater than about 4.5 is found to be dominated by a peak in the free energy change associated with the reaction iAl-->Al(i) at i=55, making it the critical size over a wide range of saturation ratios. Calculated steady-state nucleation rates are many orders of magnitude lower than predicted by classical nucleation theory (CNT). The onset of nucleation is predicted to occur at a saturation ratio of about 13.3, compared to about 5.1 in CNT, while for saturation ratios greater than about 25 the abundance of magic-numbered clusters becomes high enough to invalidate the assumption that cluster growth occurs solely by monomer addition. Transient nucleation is also predicted to be substantially different than predicted by CNT, with a much longer time required to reach steady state: about 10(-4) s at a saturation ratio of 20, compared to about 10(-7) s from CNT. Magic numbers are seen to play an important role in transient nucleation, as the nucleation currents for clusters of adjacent sizes become equal to each other in temporally successive groups, where the largest cluster in each group is the magic-numbered one.

  20. Pore structure and mechanical properties of directionally solidified porous aluminum alloys

    OpenAIRE

    Komissarchuk Olga; Xu Zhengbin; Hao Hai

    2014-01-01

    Porous aluminum alloys produced by the metal-gas eutectic method or GASAR process need to be performed under a certain pressure of hydrogen, and to carry over melt to a tailor-made apparatus that ensures directional solidification. Hydrogen is driven out of the melt, and then the quasi-cylindrical pores normal to the solidification front are usually formed. In the research, the effects of processing parameters (saturation pressure, solidification pressure, temperature, and holding time) on th...

  1. Aluminum plasmonic photocatalysis

    Science.gov (United States)

    Hao, Qi; Wang, Chenxi; Huang, Hao; Li, Wan; Du, Deyang; Han, Di; Qiu, Teng; Chu, Paul K.

    2015-01-01

    The effectiveness of photocatalytic processes is dictated largely by plasmonic materials with the capability to enhance light absorption as well as the energy conversion efficiency. Herein, we demonstrate how to improve the plasmonic photocatalytic properties of TiO2/Al nano-void arrays by overlapping the localized surface plasmon resonance (LSPR) modes with the TiO2 band gap. The plasmonic TiO2/Al arrays exhibit superior photocatalytic activity boasting an enhancement of 7.2 folds. The underlying mechanisms concerning the radiative energy transfer and interface energy transfer processes are discussed. Both processes occur at the TiO2/Al interface and their contributions to photocatalysis are evaluated. The results are important to the optimization of aluminum plasmonic materials in photocatalytic applications. PMID:26497411

  2. Determination of Sandoz Black Aluminum Coloring Dye Olive Aluminum Coloring Dye and Sodium Dichromate Aluminum Sealing Solutions by UV-Visible Spectrophotometry

    National Research Council Canada - National Science Library

    Sopok, Samuel

    1992-01-01

    The chemical literature lacks an acceptable method to determine and adequately control Sandoz black aluminum coloring dye, olive aluminum coloring dye, and sodium dichromate aluminum sealing solutions...

  3. Spray Rolling Aluminum Strip

    Energy Technology Data Exchange (ETDEWEB)

    Lavernia, E.J.; Delplanque, J-P; McHugh, K.M.

    2006-05-10

    Spray forming is a competitive low-cost alternative to ingot metallurgy for manufacturing ferrous and non-ferrous alloy shapes. It produces materials with a reduced number of processing steps, while maintaining materials properties, with the possibility of near-net-shape manufacturing. However, there are several hurdles to large-scale commercial adoption of spray forming: 1) ensuring strip is consistently flat, 2) eliminating porosity, particularly at the deposit/substrate interface, and 3) improving material yield. Through this program, a new strip/sheet casting process, termed spray rolling, has been developed, which is an innovative manufacturing technique to produce aluminum net-shape products. Spray rolling combines the benefits of twin-roll casting and conventional spray forming, showing a promising potential to overcome the above hurdles associated with spray forming. Spray rolling requires less energy and generates less scrap than conventional processes and, consequently, enables the development of materials with lower environmental impacts in both processing and final products. Spray Rolling was developed as a collaborative project between the University of California-Davis, the Colorado School of Mines, the Idaho National Engineering and Environmental Laboratory, and an industry team. The following objectives of this project were achieved: (1) Demonstration of the feasibility of the spray rolling process at the bench-scale level and evaluation of the materials properties of spray rolled aluminum strip alloys; and (2) Demonstration of 2X scalability of the process and documentation of technical hurdles to further scale up and initiate technology transfer to industry for eventual commercialization of the process.

  4. Hydrogen Bibliography

    Energy Technology Data Exchange (ETDEWEB)

    1991-12-01

    The Hydrogen Bibliography is a compilation of research reports that are the result of research funded over the last fifteen years. In addition, other documents have been added. All cited reports are contained in the National Renewable Energy Laboratory (NREL) Hydrogen Program Library.

  5. Cluster Headache

    Science.gov (United States)

    ... re at risk of cluster headache. A family history. Having a parent or sibling who has had cluster headache might ... of Nondiscrimination Advertising Mayo Clinic is a not-for-profit organization ...

  6. Selection of a mineral binder with potentialities for the stabilization/solidification of aluminum metal

    Science.gov (United States)

    Cau Dit Coumes, C.; Lambertin, D.; Lahalle, H.; Antonucci, P.; Cannes, C.; Delpech, S.

    2014-10-01

    In a strongly alkaline medium, such as that encountered in conventional cementitious materials based on Portland cement, aluminum metal is corroded, with continued production of hydrogen. In order to develop a mineral matrix having enhanced compatibility with aluminum, a literature review was first undertaken to identify binders capable of reducing the pore solution pH compared with Portland cement. An experimental study was then carried out to measure the hydrogen production resulting from corrosion of aluminum metal rods encapsulated in the different selected cement pastes. The best results were achieved with magnesium phosphate cement, which released very little hydrogen over the duration of the study. This production could be reduced still further by adding a corrosion inhibitor (lithium nitrate) to the mixing solution. Open circuit potential measurement and Electrochemical Impedance Spectroscopy of aluminum electrode encapsulated in two pastes based on Portland cement and magnesium phosphate cement showed different redox behaviors. In the Portland cement paste, the electrochemical data confirmed the corrosion of aluminum whereas this latter tended to a passive state in the magnesium phosphate binder.

  7. Hydrogen exchange

    DEFF Research Database (Denmark)

    Jensen, Pernille Foged; Rand, Kasper Dyrberg

    2016-01-01

    Hydrogen exchange (HX) monitored by mass spectrometry (MS) is a powerful analytical method for investigation of protein conformation and dynamics. HX-MS monitors isotopic exchange of hydrogen in protein backbone amides and thus serves as a sensitive method for probing protein conformation...... and dynamics along the entire protein backbone. This chapter describes the exchange of backbone amide hydrogen which is highly quenchable as it is strongly dependent on the pH and temperature. The HX rates of backbone amide hydrogen are sensitive and very useful probes of protein conformation......, as they are distributed along the polypeptide backbone and form the fundamental hydrogen-bonding networks of basic secondary structure. The effect of pressure on HX in unstructured polypeptides (poly-dl-lysine and oxidatively unfolded ribonuclease A) and native folded proteins (lysozyme and ribonuclease A) was evaluated...

  8. Hydrogen energy.

    Science.gov (United States)

    Edwards, P P; Kuznetsov, V L; David, W I F

    2007-04-15

    The problem of anthropogenically driven climate change and its inextricable link to our global society's present and future energy needs are arguably the greatest challenge facing our planet. Hydrogen is now widely regarded as one key element of a potential energy solution for the twenty-first century, capable of assisting in issues of environmental emissions, sustainability and energy security. Hydrogen has the potential to provide for energy in transportation, distributed heat and power generation and energy storage systems with little or no impact on the environment, both locally and globally. However, any transition from a carbon-based (fossil fuel) energy system to a hydrogen-based economy involves significant scientific, technological and socio-economic barriers. This brief report aims to outline the basis of the growing worldwide interest in hydrogen energy and examines some of the important issues relating to the future development of hydrogen as an energy vector.

  9. Ground state structures and properties of small hydrogenated silicon ...

    Indian Academy of Sciences (India)

    Unknown

    Abstract. We present results for ground state structures and properties of small hydrogenated silicon clus- ters using the Car–Parrinello molecular dynamics with simulated annealing. We discuss the nature of bonding of hydrogen in these clusters. We find that hydrogen can form a bridge like Si–H–Si bond connecting two ...

  10. Aluminum hydroxide issue closure package

    International Nuclear Information System (INIS)

    Bergman, T.B.

    1998-01-01

    Aluminum hydroxide coatings on fuel elements stored in aluminum canisters in K West Basin were measured in July and August 1998. Good quality data was produced that enabled statistical analysis to determine a bounding value for aluminum hydroxide at a 99% confidence level. The updated bounding value is 10.6 kg per Multi-Canister Overpack (MCO), compared to the previously estimated bounding value of 8 kg/MCO. Thermal analysis using the updated bounding value, shows that the MCO generates oxygen concentrate that are below the lower flammability limits during the 40-year interim storage period and are, therefore, acceptable

  11. Meaningful Clusters

    Energy Technology Data Exchange (ETDEWEB)

    Sanfilippo, Antonio P.; Calapristi, Augustin J.; Crow, Vernon L.; Hetzler, Elizabeth G.; Turner, Alan E.

    2004-05-26

    We present an approach to the disambiguation of cluster labels that capitalizes on the notion of semantic similarity to assign WordNet senses to cluster labels. The approach provides interesting insights on how document clustering can provide the basis for developing a novel approach to word sense disambiguation.

  12. PREPARATION OF URANIUM-ALUMINUM ALLOYS

    Science.gov (United States)

    Moore, R.H.

    1962-09-01

    A process is given for preparing uranium--aluminum alloys from a solution of uranium halide in an about equimolar molten alkali metal halide-- aluminum halide mixture and excess aluminum. The uranium halide is reduced and the uranium is alloyed with the excess aluminum. The alloy and salt are separated from each other. (AEC)

  13. Understanding of radiation effect on sink in aluminum base structure materials

    International Nuclear Information System (INIS)

    Choi, Sang Il; Kim, Ji Hyun

    2014-01-01

    In case of aluminum, a slightly different approach is needed for the evaluation of radiation damage. Unlikely other structure materials such as zirconium alloy and iron based alloy, aluminum generate not only matrix defect but also much transmutation. Quantitative analysis of radiation damage of aluminum have been done in two research method. First research method is calculation of radiation damage quantity in the matrix. In this research, quantity of transmutation and matrix damage are evaluated by KMC simulation from ENDF database of IAEA. Most recently, radiation damage such as defect and transmutation are calculated in the MNSR reactor environment. The second research method is evaluation of sink morphology change by irradiation, which research method focus on accumulating behavior of radiation defects. Matrix defect and transmutation are clustering or dissolved by thermal diffusion and energy statue. These clustering defect such as dislocation loop, void and bubble directly affect mechanical properties. In this research area, it is hard to using deterministic method because it should describe envious and various reaction module in detail. However, in case of probabilistic method, it could be explained without detail reaction module. Most recently, there was KMC modeling about vacancy and helium cluster. From this cluster modeling, transmutation is quantitatively analyzed. After that cluster effect on swelling are explained. Unfortunately, silicon, which is another transmutation of aluminum, effect are neglected. Also primary cluster, which is generated by cascade, effect are neglected. For the fundamental understanding of radiation effect on aluminum alloy, it is needed that more various parameter such as alloy element and primary cluster effect should be researched. However, until now there was not general modeling which include alloy element and primary cluster effect on aluminum. However, there was not specified KMC platform for the quantitative analysis of

  14. A Study on the Susceptibility to SCC of 7050 Aluminum Alloy by DCB Specimens

    Directory of Open Access Journals (Sweden)

    Xing Qi

    2016-11-01

    Full Text Available The stress corrosion cracking (SCC of different aging states for 7050 aluminum alloy in 3.5% sodium chloride aqueous solution has been studied by means of double cantilever beam (DCB specimens, cathodic polarization, scanning electron microscope (SEM, transmission electron microscope (TEM and time-of-flying second ion mass spectrometer (ToF-SIMS. The results showed that the susceptibility to SCC (Iscc of 7050 aluminum alloy decreases with increasing the aging time. When a cathodic polarization potential of −1100 mV was applied to DCB specimens, the ion current intensity of hydrogen (IH+ near the crack tip and Iscc increased obviously, thus the degree of the diffusion of hydrogen into the grain boundary become more serious. The observation of microstructure indicated that the precipitates on the grain boundary become coarse and are sparsely distributed with increasing the aging time of 7050 aluminum alloy.

  15. Model Experiment of Thermal Runaway Reactions Using the Aluminum-Hydrochloric Acid Reaction

    Science.gov (United States)

    Kitabayashi, Suguru; Nakano, Masayoshi; Nishikawa, Kazuyuki; Koga, Nobuyoshi

    2016-01-01

    A laboratory exercise for the education of students about thermal runaway reactions based on the reaction between aluminum and hydrochloric acid as a model reaction is proposed. In the introductory part of the exercise, the induction period and subsequent thermal runaway behavior are evaluated via a simple observation of hydrogen gas evolution and…

  16. Hydrogen production

    Energy Technology Data Exchange (ETDEWEB)

    Donath, E.

    1942-10-16

    This report mentioned that not very severe demands for purity were made on the hydrogen used in hydrogenation of coal or similar raw materials, because the catalysts were not very sensitive to poisoning. However, the hydrogenation plants tried to remove most impurities anyway by means of oil washes. The report included a table giving the amount of wash oil used up and the amount of hydrogen lost by dissolving into the wash oil used up and the amount of hydrogen lost by dissolving into the wash oil in order to remove 1% of various impurities from 1000 m/sup 3/ of the circulating gas. The amounts of wash oil used up were 1.1 m/sup 3/ for removing 1% nitrogen, 0.3 m/sup 3/ for 1% carbon monoxide, 0.03 m/sup 3/ for 1% methane. The amount of hydrogen lost was 28 m/sup 3/ for 1% nitrogen, 9 m/sup 3/ for 1% methane and ranged from 9 m/sup 3/ to 39 m/sup 3/ for 1% carbon monoxide and 1 m/sup 3/ to 41 m/sup 3/ for carbon dioxide depending on whether the removal was done in liquid phase or vapor phase and with or without reduction of the oxide to methane. Next the report listed and described the major processes used in German hydrogenation plants to produce hydrogen. Most of them produced water gas, which then had its carbon monoxide changed to carbon dioxide, and the carbon oxides washed out with water under pressure and copper hydroxide solution. The methods included the Winkler, Pintsch-Hillebrand, and Schmalfeldt-Wintershall processes, as well as roasting of coke in a rotating generator, splitting of gases formed during hydrogenation, and separation of cokery gas into its components by the Linde process.

  17. Chrome - Free Aluminum Coating System

    Science.gov (United States)

    Bailey, John H.; Gugel, Jeffrey D.

    2010-01-01

    This slide presentation concerns the program to qualify a chrome free coating for aluminum. The program was required due to findings by OSHA and EPA, that hexavalent chromium, used to mitigate corrosion in aerospace aluminum alloys, poses hazards for personnel. This qualification consisted of over 4,000 tests. The tests revealed that a move away from Cr+6, required a system rather than individual components and that the maximum corrosion protection required pretreatment, primer and topcoat.

  18. Synthesis and formation process of Al2CuHx: A new class of interstitial aluminum-based alloy hydride

    Directory of Open Access Journals (Sweden)

    Hiroyuki Saitoh

    2013-09-01

    Full Text Available Aluminum-based alloy hydride Al2CuHx (x ∼ 1 is synthesized by hydrogenating Al2Cu alloy using high-temperature and high-pressure hydrogen atmosphere. Al8Cu square antiprisms in Al2Cu twist around the c axis of a tetragonal unit cell by hydrogenation. The twist enlarges the interstitial spaces for accommodating hydrogen atoms which align linearly parallel to the c axis in Al2CuHx. Thermodynamic stability of Al2CuHx results from the balance of stabilization by H 1s and Al 3sp hybridization and destabilization owing to the Fermi-level lifting upon hydrogenation. The crystal and electronic structures of Al2CuHx illustrate the formation of an interstitial hydride of aluminum-based alloy.

  19. Optomechanics of Single Aluminum Nanodisks.

    Science.gov (United States)

    Su, Man-Nung; Dongare, Pratiksha D; Chakraborty, Debadi; Zhang, Yue; Yi, Chongyue; Wen, Fangfang; Chang, Wei-Shun; Nordlander, Peter; Sader, John E; Halas, Naomi J; Link, Stephan

    2017-04-12

    Aluminum nanostructures support tunable surface plasmon resonances and have become an alternative to gold nanoparticles. Whereas gold is the most-studied plasmonic material, aluminum has the advantage of high earth abundance and hence low cost. In addition to understanding the size and shape tunability of the plasmon resonance, the fundamental relaxation processes in aluminum nanostructures after photoexcitation must be understood to take full advantage of applications such as photocatalysis and photodetection. In this work, we investigate the relaxation following ultrafast pulsed excitation and the launching of acoustic vibrations in individual aluminum nanodisks, using single-particle transient extinction spectroscopy. We find that the transient extinction signal can be assigned to a thermal relaxation of the photoexcited electrons and phonons. The ultrafast heating-induced launching of in-plane acoustic vibrations reveals moderate binding to the glass substrate and is affected by the native aluminum oxide layer. Finally, we compare the behavior of aluminum nanodisks to that of similarly prepared and sized gold nanodisks.

  20. Effect of Tritium on Cracking Threshold in 7075 Aluminum

    Energy Technology Data Exchange (ETDEWEB)

    Duncan, A. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Morgan, M. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2017-02-28

    The effect of long-term exposure to tritium gas on the cracking threshold (KTH) of 7075 Aluminum Alloy was investigated. The alloy is the material of construction for a cell used to contain tritium in an accelerator at Jefferson Laboratory designed for inelastic scattering experiments on nucleons. The primary safety concerns for the Jefferson Laboratory tritium cell is a tritium leak due to mechanical failure of windows from hydrogen isotope embrittlement, radiation damage, or loss of target integrity from accidental excessive beam heating due to failure of the raster or grossly mis-steered beam. Experiments were conducted to investigate the potential for embrittlement of the 7075 Aluminum alloy from tritium gas.

  1. Controlling Hydrogenation of Graphene on Ir(111)

    DEFF Research Database (Denmark)

    Balog, Richard; Andersen, Mie; Jørgensen, Bjarke

    2013-01-01

    Combined fast X-ray photoelectron spectroscopy and density functional theory calculations reveal the presence of two types of hydrogen adsorbate structures at the graphene/ Ir(111) interface, namely, graphane-like islands and hydrogen dimer structures. While the former give rise to a periodic...... pattern, dimers tend to destroy the periodicity. Our data reveal distinctive growth rates and stability of both types of structures, thereby allowing one to obtain well-defined patterns of hydrogen clusters. The ability to control and manipulate the formation and size of hydrogen structures on graphene...... facilitates tailoring of its properties for a wide range of applications by means of covalent functionalization....

  2. Aluminum and Alzheimer's Disease.

    Science.gov (United States)

    Colomina, Maria Teresa; Peris-Sampedro, Fiona

    2017-01-01

    Aluminum (Al) is one of the most extended metals in the Earth's crust. Its abundance, together with the widespread use by humans, makes Al-related toxicity particularly relevant for human health.Despite some factors influence individual bioavailability to this metal after oral, dermal, or inhalation exposures, humans are considered to be protected against Al toxicity because of its low absorption and efficient renal excretion. However, several factors can modify Al absorption and distribution through the body, which may in turn progressively contribute to the development of silent chronic exposures that may lately trigger undesirable consequences to health. For instance, Al has been recurrently shown to cause encephalopathy, anemia, and bone disease in dialyzed patients. On the other hand, it remains controversial whether low doses of this metal may contribute to developing Alzheimer's disease (AD), probably because of the multifactorial and highly variable presentation of the disease.This chapter primarily focuses on two key aspects related to Al neurotoxicity and AD, which are metabolic impairment and iron (Fe) alterations. We discuss sex and genetic differences as a plausible source of bias to assess risk assessment in human populations.

  3. Managing aluminum phosphide poisonings

    Science.gov (United States)

    Gurjar, Mohan; Baronia, Arvind K; Azim, Afzal; Sharma, Kalpana

    2011-01-01

    Aluminum phosphide (AlP) is a cheap, effective and commonly used pesticide. However, unfortunately, it is now one of the most common causes of poisoning among agricultural pesticides. It liberates lethal phosphine gas when it comes in contact either with atmospheric moisture or with hydrochloric acid in the stomach. The mechanism of toxicity includes cellular hypoxia due to the effect on mitochondria, inhibition of cytochrome C oxidase and formation of highly reactive hydroxyl radicals. The signs and symptoms are nonspecific and instantaneous. The toxicity of AlP particularly affects the cardiac and vascular tissues, which manifest as profound and refractory hypotension, congestive heart failure and electrocardiographic abnormalities. The diagnosis of AlP usually depends on clinical suspicion or history, but can be made easily by the simple silver nitrate test on gastric content or on breath. Due to no known specific antidote, management remains primarily supportive care. Early arrival, resuscitation, diagnosis, decrease the exposure of poison (by gastric lavage with KMnO4, coconut oil), intensive monitoring and supportive therapy may result in good outcome. Prompt and adequate cardiovascular support is important and core in the management to attain adequate tissue perfusion, oxygenation and physiologic metabolic milieu compatible with life until the tissue poison levels are reduced and spontaneous circulation is restored. In most of the studies, poor prognostic factors were presence of acidosis and shock. The overall outcome improved in the last decade due to better and advanced intensive care management. PMID:21887030

  4. The Resource-Saving Technology of Aluminum Nitride Obtaining During Combustion of Aluminum Nanopowder in Air

    OpenAIRE

    Ilyin, Aleksandr Petrovich; Mostovshchikov, Andrey Vladimirovich; Root, Lyudmila Olegovna

    2016-01-01

    The resource-saving technology of aluminum nitride obtaining during the combustion of aluminum nanopowder in air has been analyzed in the article. The investigation of the crystal phases of aluminum nanopowder combustion products obtained under the magnetic field exposure has been made. The experimental results showed the increase of aluminum nitride content up to 86 wt. % in comparison with the aluminum nitride content in combustion products without any exposure. The mechanism of aluminum ni...

  5. Questioning hydrogen

    International Nuclear Information System (INIS)

    Hammerschlag, Roel; Mazza, Patrick

    2005-01-01

    As an energy carrier, hydrogen is to be compared to electricity, the only widespread and viable alternative. When hydrogen is used to transmit renewable electricity, only 51% can reach the end user due to losses in electrolysis, hydrogen compression, and the fuel cell. In contrast, conventional electric storage technologies allow between 75% and 85% of the original electricity to be delivered. Even when hydrogen is extracted from gasified coal (with carbon sequestration) or from water cracked in high-temperature nuclear reactors, more of the primary energy reaches the end user if a conventional electric process is used instead. Hydrogen performs no better in mobile applications, where electric vehicles that are far closer to commercialization exceed fuel cell vehicles in efficiency, cost and performance. New, carbon-neutral energy can prevent twice the quantity of GHG's by displacing fossil electricity than it can by powering fuel cell vehicles. The same is true for new, natural gas energy. New energy resources should be used to displace high-GHG electric generation, not to manufacture hydrogen

  6. Data Clustering

    Science.gov (United States)

    Wagstaff, Kiri L.

    2012-03-01

    On obtaining a new data set, the researcher is immediately faced with the challenge of obtaining a high-level understanding from the observations. What does a typical item look like? What are the dominant trends? How many distinct groups are included in the data set, and how is each one characterized? Which observable values are common, and which rarely occur? Which items stand out as anomalies or outliers from the rest of the data? This challenge is exacerbated by the steady growth in data set size [11] as new instruments push into new frontiers of parameter space, via improvements in temporal, spatial, and spectral resolution, or by the desire to "fuse" observations from different modalities and instruments into a larger-picture understanding of the same underlying phenomenon. Data clustering algorithms provide a variety of solutions for this task. They can generate summaries, locate outliers, compress data, identify dense or sparse regions of feature space, and build data models. It is useful to note up front that "clusters" in this context refer to groups of items within some descriptive feature space, not (necessarily) to "galaxy clusters" which are dense regions in physical space. The goal of this chapter is to survey a variety of data clustering methods, with an eye toward their applicability to astronomical data analysis. In addition to improving the individual researcher’s understanding of a given data set, clustering has led directly to scientific advances, such as the discovery of new subclasses of stars [14] and gamma-ray bursts (GRBs) [38]. All clustering algorithms seek to identify groups within a data set that reflect some observed, quantifiable structure. Clustering is traditionally an unsupervised approach to data analysis, in the sense that it operates without any direct guidance about which items should be assigned to which clusters. There has been a recent trend in the clustering literature toward supporting semisupervised or constrained

  7. Gas evolution behavior of aluminum in mortar

    International Nuclear Information System (INIS)

    Hashizume, Shuji; Matsumoto, Junko; Banba, Tsunetaka

    1996-10-01

    As a part of study of leaching behavior for solidified dry low level radioactive waste, gas evolution behavior of aluminum in mortar was investigated, and a plan of our research was proposed. The effect of pH on corrosion rate of aluminum, corrosion product, time dependency of corrosion rate of aluminum in mortar, change of corrosion mechanism, the effects of Na, Ca and Cl ions on corrosion rate of aluminum in mortar and corrosion behavior of aluminum when aluminum was used as sacrificed anode in reinforced concrete were previously clarified. Study of the effects of environmental factors such as pH, kind of ions and temperature on gas evolution behavior of aluminum and the effect of aluminum/carbon steel surface ratio no gas evolution behavior of aluminum were planed. (author). 75 refs

  8. Gas evolution behavior of aluminum in mortar

    Energy Technology Data Exchange (ETDEWEB)

    Hashizume, Shuji; Matsumoto, Junko; Banba, Tsunetaka [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    1996-10-01

    As a part of study of leaching behavior for solidified dry low level radioactive waste, gas evolution behavior of aluminum in mortar was investigated, and a plan of our research was proposed. The effect of pH on corrosion rate of aluminum, corrosion product, time dependency of corrosion rate of aluminum in mortar, change of corrosion mechanism, the effects of Na, Ca and Cl ions on corrosion rate of aluminum in mortar and corrosion behavior of aluminum when aluminum was used as sacrificed anode in reinforced concrete were previously clarified. Study of the effects of environmental factors such as pH, kind of ions and temperature on gas evolution behavior of aluminum and the effect of aluminum/carbon steel surface ratio no gas evolution behavior of aluminum were planed. (author). 75 refs.

  9. Positron lifetime calculations of defects in vanadium containing hydrogen

    International Nuclear Information System (INIS)

    Troev, T.; Markovski, A.; Petrova, M.; Peneva, S.; Yoshiie, T.

    2006-01-01

    Positron lifetime quantum-mechanical calculations were carried out for the investigation of defects in vanadium containing hydrogen atoms. The convergence of electronic structure calculations for supercell size is studied for vacancies, vacancy-clusters (nano-voids) and vacancy-clusters containing hydrogen. The electron wave functions have been obtained in the local density approximation (LDA) to the density functional theory (DFT). On the basis of the calculated results, the behaviours of empty nano-voids and nano-voids with hydrogen are discussed. It is found that hydrogen in larger three-dimensional vacancy-clusters change the annihilation characteristics drastically. The hydrogen atoms are trapped by lattice vacancies. These results provide physical insight for positron interactions with defects in vanadium and can be used for the prediction of hydrogen generation useful for the design of a fusion reactor

  10. Scaleable Clean Aluminum Melting Systems

    Energy Technology Data Exchange (ETDEWEB)

    Han, Q.; Das, S.K. (Secat, Inc.)

    2008-02-15

    The project entitled 'Scaleable Clean Aluminum Melting Systems' was a Cooperative Research and Development Agreements (CRADAs) between Oak Ridge National Laboratory (ORNL) and Secat Inc. The three-year project was initially funded for the first year and was then canceled due to funding cuts at the DOE headquarters. The limited funds allowed the research team to visit industrial sites and investigate the status of using immersion heaters for aluminum melting applications. Primary concepts were proposed on the design of furnaces using immersion heaters for melting. The proposed project can continue if the funding agency resumes the funds to this research. The objective of this project was to develop and demonstrate integrated, retrofitable technologies for clean melting systems for aluminum in both the Metal Casting and integrated aluminum processing industries. The scope focused on immersion heating coupled with metal circulation systems that provide significant opportunity for energy savings as well as reduction of melt loss in the form of dross. The project aimed at the development and integration of technologies that would enable significant reduction in the energy consumption and environmental impacts of melting aluminum through substitution of immersion heating for the conventional radiant burner methods used in reverberatory furnaces. Specifically, the program would couple heater improvements with furnace modeling that would enable cost-effective retrofits to a range of existing furnace sizes, reducing the economic barrier to application.

  11. Chemical synthesis of aluminum nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Ghanta, Sekher Reddy; Muralidharan, Krishnamurthi, E-mail: kmsc@uohyd.ernet.in [Advanced Center of Research in High Energy Materials (ACRHEM), University of Hyderabad (India)

    2013-06-15

    An alternate synthetic route has been described for the production of aluminum nanoparticles (Al-NPs). These Al-NPs were obtained through a reduction of aluminum acetylacetonate [Al(acac){sub 3}] by lithium aluminum hydride (LiAlH{sub 4}) in mestitylene at 165 Degree-Sign C. The side products were removed by repeated washing with dry, ice cold methanol and the reaction mixture was filtered to obtain gray-colored Al-NPs. The synthesized nanoparticles were characterized by Powder X-ray diffraction pattern and {sup 27}Al-MAS-NMR spectrum. The X-ray diffraction pattern confirmed the formation of face-centered cubic (fcc) form of aluminum. The size and morphology were investigated by scanning electron microscope and transmission electron microscope which showed particle of varying shapes with size ranging from 50 to 250 nm. The weight loss from the nanoparticles was studied by thermo gravimetric analysis which indicated that the nanoparticles were tightly bound with an unknown amorphous organic residue which cannot be removed by simple washing. The carbonaceous residue might be outcome of the decomposition of acac ligand which was responsible in stabilizing aluminum nanoparticles.

  12. Thermophysical Properties of Liquid Aluminum

    Science.gov (United States)

    Leitner, Matthias; Leitner, Thomas; Schmon, Alexander; Aziz, Kirmanj; Pottlacher, Gernot

    2017-06-01

    Ohmic pulse-heating with sub-microsecond time resolution is used to obtain thermophysical properties for aluminum in the liquid phase. Measurement of current through the sample, voltage drop across the sample, surface radiation, and volume expansion allow the calculation of specific heat capacity and the temperature dependencies of electrical resistivity, enthalpy, and density of the sample at melting and in the liquid phase. Thermal conductivity and thermal diffusivity as a function of temperature are estimated from resistivity data using the Wiedemann-Franz law. Data for liquid aluminum obtained by pulse-heating are quite rare because of the low melting temperature of aluminum with 933.47 K (660.32 °C), as the fast operating pyrometers used for the pulse-heating technique with rise times of about 100 ns generally might not be able to resolve the melting plateau of aluminum because they are not sensitive enough for such low temperature ranges. To overcome this obstacle, we constructed a new, fast pyrometer sensitive in this temperature region. Electromagnetic levitation, as the second experimental approach used, delivers data for surface tension (this quantity is not available by means of the pulse-heating technique) and for density of aluminum as a function of temperature. Data obtained will be extensively compared to existing literature data.

  13. Hydrogen program overview

    Energy Technology Data Exchange (ETDEWEB)

    Gronich, S. [Dept. of Energy, Washington, DC (United States). Office of Utility Technologies

    1997-12-31

    This paper consists of viewgraphs which summarize the following: Hydrogen program structure; Goals for hydrogen production research; Goals for hydrogen storage and utilization research; Technology validation; DOE technology validation activities supporting hydrogen pathways; Near-term opportunities for hydrogen; Market for hydrogen; and List of solicitation awards. It is concluded that a full transition toward a hydrogen economy can begin in the next decade.

  14. Experimental studies of thermal and chemical interactions between molten aluminum and nuclear dispersion fuels with water

    International Nuclear Information System (INIS)

    Farahani, A.A.

    1997-01-01

    Because of the possibility of rapid physical and chemical molten fuel-water interactions during a core melt accident in noncommercial or experimental reactors, it is important to understand the interactions that might occur if these materials were to contact water. An existing vertical 1-D shock tube facility was improved and a gas sampling device to measure the gaseous hydrogen in the upper chamber of the shock tube was designed and built to study the impact of a water column driven downward by a pressurized gas onto both molten aluminum (6061 alloy) and oxide and silicide depleted nuclear dispersion fuels in aluminum matrices. The experiments were carried out with melt temperatures initially at 750 to 1,000 C and water at room temperature and driving pressures of 0.5 and 1 MPa. Very high transient pressures, in many cases even larger than the thermodynamic critical pressure of the water (∼ 20 MPa), were generated due to the interactions between the water and the crucible and its contents. The molten aluminum always reacted chemically with the water but the reaction did not increase consistently with increasing melt temperature. An aluminum ignition occurred when water at room temperature impacted 28.48 grams of molten aluminum at 980.3 C causing transient pressures greater than 69 MPa. No signs of aluminum ignition were observed in any of the experiments with the depleted nuclear dispersion fuels, U 3 O 8 -Al and U 3 Si 2 -Al. The greater was the molten aluminum-water chemical reaction, the finer was the debris recovered for a given set of initial conditions. Larger coolant velocities (larger driving pressures) resulted in more melt fragmentation but did not result in more molten aluminum-water chemical reaction. Decreasing the water temperature also resulted in more melt fragmentation and did not suppress the molten aluminum-water chemical reaction

  15. Weighted Clustering

    DEFF Research Database (Denmark)

    Ackerman, Margareta; Ben-David, Shai; Branzei, Simina

    2012-01-01

    the partitional and hierarchical settings, characterizing the conditions under which algorithms react to weights. Extending a recent framework for clustering algorithm selection, we propose intuitive properties that would allow users to choose between clustering algorithms in the weighted setting and classify...

  16. Cluster editing

    DEFF Research Database (Denmark)

    Böcker, S.; Baumbach, Jan

    2013-01-01

    . The problem has been the inspiration for numerous algorithms in bioinformatics, aiming at clustering entities such as genes, proteins, phenotypes, or patients. In this paper, we review exact and heuristic methods that have been proposed for the Cluster Editing problem, and also applications...

  17. Cryogenic hydrogen-induced air liquefaction technologies

    Science.gov (United States)

    Escher, William J. D.

    1990-01-01

    Extensively utilizing a special advanced airbreathing propulsion archives database, as well as direct contacts with individuals who were active in the field in previous years, a technical assessment of cryogenic hydrogen-induced air liquefaction, as a prospective onboard aerospace vehicle process, was performed and documented. The resulting assessment report is summarized. Technical findings are presented relating the status of air liquefaction technology, both as a singular technical area, and also that of a cluster of collateral technical areas including: compact lightweight cryogenic heat exchangers; heat exchanger atmospheric constituents fouling alleviation; para/ortho hydrogen shift conversion catalysts; hydrogen turbine expanders, cryogenic air compressors and liquid air pumps; hydrogen recycling using slush hydrogen as heat sink; liquid hydrogen/liquid air rocket-type combustion devices; air collection and enrichment systems (ACES); and technically related engine concepts.

  18. Hydrogen usage

    Energy Technology Data Exchange (ETDEWEB)

    1942-10-22

    This short tabular report listed the number of m/sup 3/ of hydrogen required for a (metric) ton of product for various combinations of raw material and product in a hydrogenation procedure. In producing auto gasoline, bituminous coal required 2800 m/sup 3/, brown coal required 2400 m/sup 3/, high-temperature-carbonization tar required 2100 m/sup 3/, bituminous coal distillation tar required 1300 m/sup 3/, brown-coal low-temperature-carbonization tar required 850 m/sup 3/, petroleum residues required 900 m/sup 3/, and gas oil required 500 m/sup 3/. In producing diesel oil, brown coal required 1900 m/sup 3/, whereas petroleum residues required 500 m/sup 3/. In producing diesel oil, lubricants, and paraffin by the TTH (low-temperature-hydrogenation) process, brown-coal low-temperature-carbonization tar required 550 m/sup 3/. 1 table.

  19. The Concept Design of a Split Flow Liquid Hydrogen Turbopump

    Science.gov (United States)

    2008-03-01

    Advanced Expander Engine Cycle Schematic ................................................... 20 Figure 10 Component View of ALH Turbopump...21 Table 12 ALH Turbopump Performance Parameters ....................................................... 21 Table 13...Units C Absolute velocity ft/s ALH Advanced Liquid Hydrogen Al Aluminum AR Aspect Ratio AxLngth Axial Length inches Beta2b Blade exit angle

  20. Aluminum nitride insulating films for MOSFET devices

    Science.gov (United States)

    Lewicki, G. W.; Maserjian, J.

    1972-01-01

    Application of aluminum nitrides as electrical insulator for electric capacitors is discussed. Electrical properties of aluminum nitrides are analyzed and specific use with field effect transistors is defined. Operational limits of field effect transistors are developed.

  1. Aluminum--Industry of the Future

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2001-01-23

    This 8-page brochure describes the Office of Industrial Technologies' Aluminum Industry of the Future; a partnership between the Department of Energy and the aluminum industry established to increase industrial energy and cost efficiency.

  2. Aluminum-carbon composite electrode

    Science.gov (United States)

    Farahmandi, C.J.; Dispennette, J.M.

    1998-07-07

    A high performance double layer capacitor having an electric double layer formed in the interface between activated carbon and an electrolyte is disclosed. The high performance double layer capacitor includes a pair of aluminum impregnated carbon composite electrodes having an evenly distributed and continuous path of aluminum impregnated within an activated carbon fiber preform saturated with a high performance electrolytic solution. The high performance double layer capacitor is capable of delivering at least 5 Wh/kg of useful energy at power ratings of at least 600 W/kg. 3 figs.

  3. Aluminum-air battery crystallizer

    Science.gov (United States)

    Maimoni, A.

    1987-01-01

    A prototype crystallizer system for the aluminum-air battery operated reliably through simulated startup and shutdown cycles and met its design objectives. The crystallizer system allows for crystallization and removal of the aluminium hydroxide reaction product; it is required to allow steady-state and long-term operation of the aluminum-air battery. The system has to minimize volume and maintain low turbulence and shear to minimize secondary nucleation and energy consumption while enhancing agglomeration. A lamella crystallizer satisfies system constraints.

  4. Aluminum-carbon composite electrode

    Science.gov (United States)

    Farahmandi, C. Joseph; Dispennette, John M.

    1998-07-07

    A high performance double layer capacitor having an electric double layer formed in the interface between activated carbon and an electrolyte is disclosed. The high performance double layer capacitor includes a pair of aluminum impregnated carbon composite electrodes having an evenly distributed and continuous path of aluminum impregnated within an activated carbon fiber preform saturated with a high performance electrolytic solution. The high performance double layer capacitor is capable of delivering at least 5 Wh/kg of useful energy at power ratings of at least 600 W/kg.

  5. Experimental and numerical analysis of the combustor for a cogeneration system based on the aluminum/water reaction

    International Nuclear Information System (INIS)

    Milani, Massimo; Montorsi, Luca; Paltrinieri, Fabrizio; Stefani, Matteo

    2014-01-01

    Highlights: • Aluminum reaction with water is studied as a technology for hydrogen production. • A test rig is developed for the analysis of aluminum/water reaction. • The system is the core component of a cogeneration plant for hydrogen/power production. • The interaction of liquid aluminum jet and water steam stream is investigated. • The main capabilities of the injection system are assessed. - Abstract: The paper focuses on the design of the experimental apparatus aimed at analyzing the performance of the combustion chamber of a cogeneration system based on the reaction of liquid aluminum and water steam. The cogeneration system exploits the heat released by the oxidation of aluminum with water for super-heating the vapor of a steam cycle and simultaneously producing hydrogen. The only by-product is alumina, which in a closed loop can be recycled back and transformed again into aluminum. Therefore, aluminum is used as an energy carrier to transport the energy from the alumina reduction plant to the location of the proposed system. The water is also used in a closed loop since the amount of water produced employing the hydrogen obtained by the proposed system corresponds to the oxidizing water for the Al/H 2 O reaction. This study investigates the combustor where the liquid aluminum–steam reaction takes place. In particular, the design of the combustion chamber and the interaction between the liquid aluminum jet and the water steam flow are evaluated using a numerical and an experimental approach. The test rig is specifically designed for the analysis of the liquid aluminum injection in a slightly super-heated steam stream. The first experiments are carried out to verify the correct behavior of the test rig. Thermography is employed to qualitatively assess the steam entrainment of the liquid aluminum jet. Finally, the experimental measurements are compared with the multi-dimension multi-phase flow simulations in order to estimate the influence of

  6. 75 FR 70689 - Kaiser Aluminum Fabricated Products, LLC; Kaiser Aluminum-Greenwood Forge Division; Currently...

    Science.gov (United States)

    2010-11-18

    ... DEPARTMENT OF LABOR Employment and Training Administration [TA-W-70,376] Kaiser Aluminum Fabricated Products, LLC; Kaiser Aluminum- Greenwood Forge Division; Currently Known As Contech Forgings, LLC..., applicable to workers of Kaiser Aluminum Fabricated Products, LLC, Kaiser Aluminum-Greenwood Forge Division...

  7. Clustering Dycom

    KAUST Repository

    Minku, Leandro L.

    2017-10-06

    Background: Software Effort Estimation (SEE) can be formulated as an online learning problem, where new projects are completed over time and may become available for training. In this scenario, a Cross-Company (CC) SEE approach called Dycom can drastically reduce the number of Within-Company (WC) projects needed for training, saving the high cost of collecting such training projects. However, Dycom relies on splitting CC projects into different subsets in order to create its CC models. Such splitting can have a significant impact on Dycom\\'s predictive performance. Aims: This paper investigates whether clustering methods can be used to help finding good CC splits for Dycom. Method: Dycom is extended to use clustering methods for creating the CC subsets. Three different clustering methods are investigated, namely Hierarchical Clustering, K-Means, and Expectation-Maximisation. Clustering Dycom is compared against the original Dycom with CC subsets of different sizes, based on four SEE databases. A baseline WC model is also included in the analysis. Results: Clustering Dycom with K-Means can potentially help to split the CC projects, managing to achieve similar or better predictive performance than Dycom. However, K-Means still requires the number of CC subsets to be pre-defined, and a poor choice can negatively affect predictive performance. EM enables Dycom to automatically set the number of CC subsets while still maintaining or improving predictive performance with respect to the baseline WC model. Clustering Dycom with Hierarchical Clustering did not offer significant advantage in terms of predictive performance. Conclusion: Clustering methods can be an effective way to automatically generate Dycom\\'s CC subsets.

  8. Synthesis and Processing of Nanocrystalline Aluminum Nitride

    OpenAIRE

    Duarte, Matthew Albert

    2016-01-01

    Synthesis, processing and characterization of nanocrystalline aluminum nitride has been systematically studied. Non-carbon based gas nitridation was used to reduce nanocrystalline γ-alumina, having a grain size of ~80 nm. Single phase aluminum nitride powder was obtained at firing temperatures of 1200°C. Further processing of AlN powders was performed by CAPAD (Current Activated Pressure Assisted Densification) to obtain dense single phase aluminum nitride. Dense bulk aluminum nitride was ob...

  9. Mineral resource of the month: aluminum

    Science.gov (United States)

    Bray, E. Lee

    2012-01-01

    The article offers information on aluminum, a mineral resource which is described as the third-most abundant element in Earth's crust. According to the article, aluminum is the second-most used metal. Hans Christian Oersted, a Danish chemist, was the first to isolate aluminum in the laboratory. Aluminum is described as lightweight, corrosion-resistant and an excellent conductor of electricity and heat.

  10. Pore formation during C.W.Nd: YAG laser welding of aluminum alloys for automotive applications

    International Nuclear Information System (INIS)

    Pastor, M.; Zhao, H.; DebRoy, T.

    2000-01-01

    Pore formation is an important concern in laser welding of automotive aluminum alloys. This paper investigates the influence of the laser beam defocusing on pore formation during continuous wave Nd:YAG laser welding of aluminum automotive alloys 5182 and 5754. It was found that the instability of the keyhole during welding was a dominant cause of pore formation while hydrogen rejection played an insignificant role. The defocusing of the laser beam greatly affected the stability of the keyhole. Finally, the mechanism of the collapse of the keyhole and pore formation is proposed. (Author) 45 refs

  11. Large-scale synthesis of aluminum diboride nanowires by Ni(NO3)2 catalyst

    Science.gov (United States)

    Fan, Q. H.; Zhao, Y. M.; Huang, J.; Ouyang, L. S.; Kuang, Q.

    2012-05-01

    Large-scale aluminum diboride (AlB2) nanowires have been successfully fabricated for the first time using the facile catalysis method with aluminum (Al) powders and boron trichloride (BCl3) gas mixed with hydrogen and argon and Ni(NO3)2 as the catalyst. X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and high resolution transmission electron microscopy (HRTEM) were used to characterize the morphologies and structures of the samples. Our results show that the AlB2 nanowires are single crystal.

  12. Catalysis by aluminum(III) complexes of non-innocent ligands.

    Science.gov (United States)

    Berben, Louise A

    2015-02-09

    Non-Innocent ligand complexes of aluminum are described in this Concept article, beginning with a discussion of their synthesis, and then structural and electronic characterization. The main focus concerns the ability of the ligands in these complexes to mediate proton transfer reactions. As examples, aluminum-ligand cooperation in the activation of polar bonds is described, as is the importance of hydrogen bonding to stabilization of a transition state for β-hydride abstraction. Taken together these reactions enable catalytic processes such as the dehydrogenation of formic acid. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Adhesion of oxide layer to metal-doped aluminum hydride surface: Density functional calculations

    Science.gov (United States)

    Takezawa, Tomoki; Itoi, Junichi; Kannan, Takashi

    2017-07-01

    The density functional theory (DFT) calculations were carried out to evaluate the adhesion energy of the oxide layer to the metal-doped surface of hydrogen storage material, aluminum hydride (alane, AlH3). The total energy calculations using slab model revealed that the surface doping of some metals to aluminum hydride weakens the adhesion strength of the oxide layer. The influence of titanium, iron, cobalt, and zirconium doping on adhesion strength were evaluated. Except for iron doping, the adhesion strength becomes weak by the doping.

  14. The Transition from Hydrogen Bonding to Ionization in (HCI)n(NH3)n and (HCI)n(H2O)n Clusters: Consequences for Anharmonic Vibrational Spectroscopy

    Science.gov (United States)

    Chaban, Galina M.; Gerber, R. Benny; Janda, Kenneth C.; Kwak, Dochan (Technical Monitor)

    2001-01-01

    Anharmonic vibrational frequencies and intensities are calculated for 1:1 and 2:2 (HCl)(sub n)(NH3)(sub n) and (HCl)(sub n)(H2O)(sub n) complexes, employing the correlation-corrected vibrational self-consistent field method with ab initio potential surfaces at the MP2/TZP computational level. In this method, the anharmonic coupling between all vibrational modes is included, which is found to be important for the systems studied. For the 4:4 (HCl)(sub n)(H2O)(sub n) complex, the vibrational spectra are calculated at the harmonic level, and anharmonic effects are estimated. Just as the (HCl)(sub n)(NH3)(sub n) structure switches from hydrogen-bonded to ionic for n=2, the (HCl)(sub n)(H2O)(sub n) switches to ionic structure for n=4. For (HCl)2(H2O)2, the lowest energy structure corresponds to the hydrogen-bonded form. However, configurations of the ionic form are separated from this minimum by a barrier of less than an O-H stretching quantum. This suggests the possibility of experiments on ionization dynamics using infrared excitation of the hydrogen-bonded form. The strong cooperative effects on the hydrogen bonding, and concomitant transition to ionic bonding, makes an accurate estimate of the large anharmonicity crucial for understanding the infrared spectra of these systems. The anharmonicity is typically of the order of several hundred wave numbers for the proton stretching motions involved in hydrogen or ionic bonding, and can also be quite large for the intramolecular modes. In addition, the large cooperative effects in the 2:2 and higher order (HCl(sub n)(H2O)(sub n) complexes may have interesting implications for solvation of hydrogen halides at ice surfaces.

  15. Clustering analysis

    International Nuclear Information System (INIS)

    Romli

    1997-01-01

    Cluster analysis is the name of group of multivariate techniques whose principal purpose is to distinguish similar entities from the characteristics they process.To study this analysis, there are several algorithms that can be used. Therefore, this topic focuses to discuss the algorithms, such as, similarity measures, and hierarchical clustering which includes single linkage, complete linkage and average linkage method. also, non-hierarchical clustering method, which is popular name K -mean method ' will be discussed. Finally, this paper will be described the advantages and disadvantages of every methods

  16. Cluster analysis

    CERN Document Server

    Everitt, Brian S; Leese, Morven; Stahl, Daniel

    2011-01-01

    Cluster analysis comprises a range of methods for classifying multivariate data into subgroups. By organizing multivariate data into such subgroups, clustering can help reveal the characteristics of any structure or patterns present. These techniques have proven useful in a wide range of areas such as medicine, psychology, market research and bioinformatics.This fifth edition of the highly successful Cluster Analysis includes coverage of the latest developments in the field and a new chapter dealing with finite mixture models for structured data.Real life examples are used throughout to demons

  17. Versatile Hydrogen

    Indian Academy of Sciences (India)

    Hydrogen is probably the most intriguing ele- ment in the periodic table. Although it is only the seventh most abundant element on earth, it is the most abundant element in the uni- verse. It combines with almost all the ele- ments of the periodic table, except for a few transition elements, to form binary compounds of the type E.

  18. Metastable hydrogen

    International Nuclear Information System (INIS)

    Dose, V.

    1982-01-01

    This paper deals with the basic physical properties of the metastable 2 2 sub(1/2) state of atomic hydrogen. Applications relying on its special properties, including measurement of the Lamb shift, production of spin-polarized protons and the measurement of molecular electric moments, are discussed. (author)

  19. Recycling of Aluminum from Fibre Metal Laminates

    NARCIS (Netherlands)

    Zhu, G.; Xiao, Y.; Yang, Y.; Wang, J.; Sun, B.; Boom, R.

    2012-01-01

    Recycling of aluminum alloy scrap obtained from delaminated fibre metal laminates (FMLs) was studied through high temperature refining in the presence of a salt flux. The aluminum alloy scrap contains approximately mass fraction w(Cu) = 4.4%, w(Mg) = 1.1% and w(Mn) = 0.6% (2024 aluminum alloy). The

  20. 21 CFR 182.1125 - Aluminum sulfate.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Aluminum sulfate. 182.1125 Section 182.1125 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR... Substances § 182.1125 Aluminum sulfate. (a) Product. Aluminum sulfate. (b) Conditions of use. This substance...

  1. 75 FR 80527 - Aluminum Extrusions From China

    Science.gov (United States)

    2010-12-22

    ...)] Aluminum Extrusions From China AGENCY: United States International Trade Commission. ACTION: Scheduling of... of subsidized and less-than-fair-value imports from China of aluminum extrusions, primarily provided... contained in Aluminum Extrusions From the People's Republic of China: Notice of Preliminary Determination of...

  2. 21 CFR 73.2645 - Aluminum powder.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 1 2010-04-01 2010-04-01 false Aluminum powder. 73.2645 Section 73.2645 Food and... ADDITIVES EXEMPT FROM CERTIFICATION Cosmetics § 73.2645 Aluminum powder. (a) Identity and specifications. The color additive aluminum powder shall conform in identity and specifications to the requirements of...

  3. 21 CFR 582.1125 - Aluminum sulfate.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Aluminum sulfate. 582.1125 Section 582.1125 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL... Additives § 582.1125 Aluminum sulfate. (a) Product. Aluminum sulfate. (b) Conditions of use. This substance...

  4. 21 CFR 172.310 - Aluminum nicotinate.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Aluminum nicotinate. 172.310 Section 172.310 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR... Special Dietary and Nutritional Additives § 172.310 Aluminum nicotinate. Aluminum nicotinate may be safely...

  5. Industrial implications of hydrogen

    International Nuclear Information System (INIS)

    Pressouyre, G.M.

    1982-01-01

    Two major industrial implications of hydrogen are examined: problems related to the effect of hydrogen on materials properties (hydrogen embrittlement), and problems related to the use and production of hydrogen as a future energy vector [fr

  6. Thermal compatibility studies of unirradiated uranium silicide dispersed in aluminum

    International Nuclear Information System (INIS)

    Wiencek, T.C.; Domagala, R.F.; Thresh, H.R.

    1984-09-01

    Powder metallurgy dispersions of uranium silicides in an aluminum matrix have been developed by the international Reduced Enrichment for Research and Test Reactors program as a new generation of proliferation-resistant fuels. A major issue of concern is the compatibility of the fuel with the matrix material and the dimensional stability of this fuel type. A total of 45 miniplate-type fuel plates were annealed at 400 0 C for up to 1981 hours. A data base for the thermal compatibility of unirradiated uranium silicide dispersed in aluminum was established. No modification tested of a standard fuel plate showed any significant reduction of the plate swelling. The cause of the thermal growth of silicide fuel plates was determined to be a two-step process: (1) the reaction of the uranium silicide with aluminum to form U(AlSi) 3 and (2) the release of hydrogen and subsequent creep and pillowing of the fuel plate. 9 references, 4 figures, 6 tables

  7. Occupational Clusters.

    Science.gov (United States)

    Pottawattamie County School System, Council Bluffs, IA.

    The 15 occupational clusters (transportation, fine arts and humanities, communications and media, personal service occupations, construction, hospitality and recreation, health occupations, marine science occupations, consumer and homemaking-related occupations, agribusiness and natural resources, environment, public service, business and office…

  8. Cancer Clusters

    Science.gov (United States)

    ... Peer Review and Funding Outcomes Step 4: Award Negotiation & Issuance Manage Your Award Grants Management Contacts Monitoring ... potentially hazardous working conditions, including suspected cancer clusters. Employees, authorized employee representatives, and employers can request these ...

  9. Cluster generator

    Science.gov (United States)

    Donchev, Todor I [Urbana, IL; Petrov, Ivan G [Champaign, IL

    2011-05-31

    Described herein is an apparatus and a method for producing atom clusters based on a gas discharge within a hollow cathode. The hollow cathode includes one or more walls. The one or more walls define a sputtering chamber within the hollow cathode and include a material to be sputtered. A hollow anode is positioned at an end of the sputtering chamber, and atom clusters are formed when a gas discharge is generated between the hollow anode and the hollow cathode.

  10. Hydrolysis Batteries: Generating Electrical Energy during Hydrogen Absorption.

    Science.gov (United States)

    Xiao, Rui; Chen, Jun; Fu, Kai; Zheng, Xinyao; Wang, Teng; Zheng, Jie; Li, Xingguo

    2018-02-19

    The hydrolysis reaction of aluminum can be decoupled into a battery by pairing an Al foil with a Pd-capped yttrium dihydride (YH 2 -Pd) electrode. This hydrolysis battery generates a voltage around 0.45 V and leads to hydrogen absorption into the YH 2 layer. This represents a new hydrogen absorption mechanism featuring electrical energy generation during hydrogen absorption. The hydrolysis battery converts 8-15 % of the thermal energy of the hydrolysis reaction into usable electrical energy, leading to much higher energy efficiency compared to that of direct hydrolysis. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Characterization of ultrafine aluminum nanoparticles

    International Nuclear Information System (INIS)

    Sandstrom, Mary M.; Jorgensen, Betty S.; Mang, Joseph T.; Smith, Bettina L.; Son, Steven F.

    2004-01-01

    Aluminum nanopowders with particle sizes ranging from ∼25 nm to 80 nm were characterized by a variety of methods. We present and compare the results from common powder characterization techniques including transmission electron microscopy (TEM), high resolution transmission electron microscopy (HRTEM), BET gas adsorption surface area analysis, thermogravimetric analysis (TGA), photon correlation spectroscopy (PCS), and low angle laser light scattering (LALLS). Aluminum nanoparticles consist of an aluminum core with an aluminum oxide coating. HRTEM measurements of both the particle diameter and oxide layer thickness tend to be larger than those obtained from BET and TGA. LALLS measurements show a large degree of particle agglomeration in solution; therefore, primary particle sizes could not be determined. Furthermore, results from small-angle scattering techniques (SAS), including small-angle neutron (SANS) and x-ray (SAXS) scattering are presented and show excellent agreement with the BET, TGA, and HRTEM. The suite of analytical techniques presented in this paper can be used as a powerful tool in the characterization of many types of nanosized powders.

  12. Aluminum: The Next Twenty Years

    Science.gov (United States)

    Fitzgerald, M. Desmond; Pollio, Gerald

    1982-12-01

    This report concludes that the outlook for the world aluminum industry is quite favorable. Demand is expected to expand at a more rapid rate than for other basic metals, but not sufficiently to put undue strain on productive capacity. Capital requirements of the world aluminum industry are projected at 95.5 billion in 1980 prices — more than 200 billion in current prices—over the balance of the century. Given the aluminum industry's past success in generating internal funds, this level of capital expanditure should not cause undue financing problems. Finally, we expect changes to occur in the structure of the industry over the forecast period, with virtually all new alumina capacity being installed in proximity to bauxite production, and—with the exception of Australia—a major shift in smelting capacity away from other industrialized economies. While the large multinational companies will still play a dominant role in the world aluminum market, their share of production and ownership is likely to decline progressively during the period.

  13. Recrystallization in Commercially Pure Aluminum

    DEFF Research Database (Denmark)

    Bay, Bent; Hansen, Niels

    1984-01-01

    Recrystallization behavior in commercial aluminum with a purity of 99.4 pct was studied by techniques such as high voltage electron microscopy, 100 kV transmission electron microscopy, and light microscopy. Sample parameters were the initial grain size (290 and 24 microns) and the degree of defor...

  14. Aluminum break-point contacts

    NARCIS (Netherlands)

    Heinemann, Martina; Groot, R.A. de

    1997-01-01

    Ab initio molecular dynamics is used to study the contribution of a single Al atom to an aluminum breakpoint contact during the final stages of breaking and the initial stages of the formation of such a contact. A hysteresis effect is found in excellent agreement with experiment and the form of the

  15. Directly polished lightweight aluminum mirror

    Science.gov (United States)

    ter Horst, Rik; Tromp, Niels; de Haan, Menno; Navarro, Ramon; Venema, Lars; Pragt, Johan

    2017-11-01

    During the last ten years, Astron has been a major contractor for the design and manufacturing of astronomical instruments for Space- and Earth based observatories, such as VISIR, MIDI, SPIFFI, X-Shooter and MIRI. Driven by the need to reduce the weight of optically ultra-stiff structures, two promising techniques have been developed in the last years: ASTRON Extreme Lightweighting [1][2] for mechanical structures and an improved Polishing Technique for Aluminum Mirrors. Using one single material for both optical components and mechanical structure simplifies the design of a cryogenic instrument significantly, it is very beneficial during instrument test and verification, and makes the instrument insensitive to temperature changes. Aluminum has been the main material used for cryogenic optical instruments, and optical aluminum mirrors are generally diamond turned. The application of a polishable hard top coating like nickel removes excess stray light caused by the groove pattern, but limits the degree of lightweighting of the mirrors due to the bi-metal effect. By directly polishing the aluminum mirror surface, the recent developments at Astron allow for using a non-exotic material for light weighted yet accurate optical mirrors, with a lower surface roughness ( 1nm RMS), higher surface accuracy and reduced light scattering. This paper presents the techniques, obtained results and a global comparison with alternative lightweight mirror solutions. Recent discussions indicate possible extensions of the extreme light weight technology to alternative materials such as Zerodur or Silicon Carbide.

  16. Hydrogen - High pressure production and storage

    International Nuclear Information System (INIS)

    Lauretta, J.R

    2005-01-01

    The development of simple, safe and more and more efficient technologies for the production and the storage of hydrogen is necessary condition for the transition towards the economy of hydrogen.In this work the hydrogen production studies experimentally to high pressure by electrolysis of alkaline solutions without the intervention of compressing systems and its direct storage in safe containers.The made tests show that the process of electrolysis to high pressure is feasible and has better yield than to low pressure, and that is possible to solve the operation problems, with relatively simple technology.The preliminary studies and tests indicate that the system container that studied is immune to the outbreak and can have forms and very different sizes, nevertheless, to reach or to surpass the efficiency of storage of the conventional systems the investments necessary will be due to make to be able to produce aluminum alloy tubes of high resistance

  17. Mechanisms for Solidification Crack Initiation and Growth in Aluminum Welding

    Science.gov (United States)

    Coniglio, N.; Cross, C. E.

    2009-11-01

    In the present work, mechanisms are proposed for solidification crack initiation and growth in aluminum alloy 6060 arc welds. Calculations for an interdendritic liquid pressure drop, made using the Rappaz-Drezet-Gremaud (RDG) model, demonstrate that cavitation as a liquid fracture mechanism is not likely to occur except at elevated levels of hydrogen content. Instead, a porosity-based crack initiation model has been developed based upon pore stability criteria, assuming that gas pores expand from pre-existing nuclei. Crack initiation is taken to occur when stable pores form within the coherent dendrite region, depending upon hydrogen content. Following initiation, crack growth is modeled using a mass balance approach, controlled by local strain rate conditions. The critical grain boundary liquid deformation rate needed for solidification crack growth has been determined for a weld made with a 16 pct 4043 filler addition, based upon the local strain rate measurement and a simplified strain rate partitioning model. Combined models show that hydrogen and strain rate control crack initiation and growth, respectively. A hypothetical hydrogen strain rate map is presented, defining conceptually the combined conditions needed for cracking and porosity.

  18. Metal interactions with boron clusters

    International Nuclear Information System (INIS)

    Grimes, R.N.

    1982-01-01

    This book presents information on the following topics: the structural and bonding features of metallaboranes and metallacarboranes; transition-metal derivatives of nido-boranes and some related species; interactions of metal groups with the octahydrotriborate (1-) anion, B 3 H 8 ; metallaboron cage compounds of the main group metals; closo-carborane-metal complexes containing metal-carbon and metal-boron omega-bonds; electrochemistry of metallaboron cage compounds; and boron clusters with transition metal-hydrogen bonds

  19. Diffraction-based study of fatigue crack initiation and propagation in aerospace aluminum alloys

    Science.gov (United States)

    Gupta, Vipul K.

    The crack initiation sites and microstructure-sensitive growth of small fatigue cracks are experimentally characterized in two precipitation-hardened aluminum alloys, 7075-T651 and 7050-T7451, stressed in ambient temperature moist-air (warm-humid) and -50°C dry N2 (cold-dry) environmental conditions. Backscattered electron imaging (BSE) and energy dispersive spectroscopy (EDS) of the fracture surfaces showed that Fe-Cu rich constituent particle clusters are the most common initiation sites within both alloys stressed in either environment. The crack growth within each alloy, on average, was observed to be slowed in the cold-dry environment than in the warm-humid environment, but only at longer crack lengths. Although no overwhelming effects of grain boundaries and grain orientations on small-crack growth were observed, crack growth data showed local fluctuations within individual grains. These observations are understood as crack propagation through the underlying substructure at the crack surface and frequent interaction with low/high-angle grain and subgrain boundaries, during cyclic loading, and, are further attributed to periodic changes in crack propagation path and multiple occurrences of crack-branching observed in the current study. SEM-based stereology in combination with electron backscattered diffraction (EBSD) established fatigue crack surface crystallography within the region from ˜1 to 50 mum of crack initiating particle clusters. Fatigue crack facets were parallel to a wide variety of crystallographic planes, with pole orientations distributed broadly across the irreducible stereographic triangle between the {001} and {101}-poles within both warm-humid and cold-dry environments. The results indicate environmentally affected fatigue cracking in both cases, given the similarity between the observed morphology and crystallography with that of a variety of aerospace aluminum alloys cracked in the presence of moist-air. There was no evidence of

  20. Decarbonization process for carbothermically produced aluminum

    Science.gov (United States)

    Bruno, Marshall J.; Carkin, Gerald E.; DeYoung, David H.; Dunlap, Sr., Ronald M.

    2015-06-30

    A method of recovering aluminum is provided. An alloy melt having Al.sub.4C.sub.3 and aluminum is provided. This mixture is cooled and then a sufficient amount of a finely dispersed gas is added to the alloy melt at a temperature of about 700.degree. C. to about 900.degree. C. The aluminum recovered is a decarbonized carbothermically produced aluminum where the step of adding a sufficient amount of the finely dispersed gas effects separation of the aluminum from the Al.sub.4C.sub.3 precipitates by flotation, resulting in two phases with the Al.sub.4C.sub.3 precipitates being the upper layer and the decarbonized aluminum being the lower layer. The aluminum is then recovered from the Al.sub.4C.sub.3 precipitates through decanting.

  1. The effect of crystal orientation on the aluminum anodes of the aluminum-air batteries in alkaline electrolytes

    Science.gov (United States)

    Fan, Liang; Lu, Huimin; Leng, Jing; Sun, Zegao; Chen, Chunbo

    2015-12-01

    Recently, aluminum-air (Al-air) batteries have received attention from researchers as an exciting option for safe and efficient batteries. The electrochemical performance of Aluminum anode remains an active area of investigation. In this paper, the electrochemical properties of polycrystalline Al, Al (001), (110) and (111) single crystals are investigated using potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) in 4 M NaOH and KOH. Hydrogen corrosion rates of the Al anodes are determined by hydrogen collection. Battery performance using the anodes is tested by constant current discharge at 10 mA cm-2. This is the first report showing that the electrochemical properties of Al are closely related to the crystallographic orientation in alkaline electrolytes. The (001) crystallographic plane has good corrosion resistance but (110) is more sensitive. Al (001) single crystals display higher anode efficiency and capacity density. Controlling the crystallographic orientation of the Al anode is another way to improve the performance of Al-air batteries in alkaline electrolytes.

  2. The Composition of the Bulge Globular Cluster NGC 6273

    Science.gov (United States)

    Pilachowski, C. A.; Johnson, C. I.; Rich, R. M.; Caldwell, N.; Mateo, M.; Bailey, J. I.; Crane, J. D.

    2017-03-01

    Observations of red giants in the Bulge globular cluster NGC 6273 with the Michigan/Magellan Fiber System (M2FS) mounted on the Nasmuth-East port of the Magellan-Clay 6.5-m telescope at the Las Campanas Observatory reveal a spread in metallicity. Members have been confirmed with radial velocity. NGC 6273 has at least two populations separated by 0.2-0.3 dex in [Fe/H]. The sodium and aluminum abundances are correlated while the magnesium and aluminum abundances are anti-correlated. The cluster also shows a rise in the abundance of the s-process element lanthanum with [Fe/H] similar to other massive clusters. The cluster contains a possible third population depleted in most elements by 0.3 dex.

  3. Bussines Clusters

    Directory of Open Access Journals (Sweden)

    Sarmiza Pencea

    2010-10-01

    Full Text Available Clusters are complex economic structures in which similar companies, their up-stream and down-stream business partners, universities, research institutes, educational units, various service providers, diverse private and public institutions concentrate geografically, striving to get economies of agglomeration and scale, to capitalize on the resulting spill over effects, to cut costs, to better harness resources, to exchange information and experience, to improve quality, innovation, skills and productivity. By somehow unexpectedly combining competition and cooperation, they form a new, sophisticated stage in the evolution of production structures in quest of higher efficiency. This paper forays into the world of clusters and clusterization, which seem to increasingly capture the interest of businesses, scholars and policy makers. It looks at what clusters are, how they arise, what are their specific features, what benefits and challenges they can generate for companies and for the regions in which they locate and if and how they should be fostered by industrial policy interventions. The conclusion is that clusters can be very important development triggers and therefore they should be encouraged and nurtured by adequate policy measures. They should not only be used as a regular policy tool, but be placed at the very center of the development strategies of emerging economies.

  4. Dynamics of hydrogen in hydrogenated amorphous silicon

    Indian Academy of Sciences (India)

    weak (strained) Si–Si bond thereby apparently enhancing the hydrogen diffusion and increasing the light-induced dangling bonds. Keywords. Hydrogenated amorphous silicon; metastable electronic states; hydrogen diffusion. PACS Nos 61.43.Dq; 66.30.-h; 71.23.Cq. 1. Introduction. Hydrogen passivation of dangling bonds ...

  5. The hydrogen; L'hydrogene

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2004-07-01

    The hydrogen as an energy system represents nowadays a main challenge (in a scientific, economical and environmental point of view). The physical and chemical characteristics of hydrogen are at first given. Then, the challenges of an hydrogen economy are explained. The different possibilities of hydrogen production are described as well as the distribution systems and the different possibilities of hydrogen storage. Several fuel cells are at last presented: PEMFC, DMFC and SOFC. (O.M.)

  6. The Resource-Saving Technology of Aluminum Nitride Obtaining During Combustion of Aluminum Nanopowder in Air

    Directory of Open Access Journals (Sweden)

    Ilyin Alexander

    2016-01-01

    Full Text Available The resource-saving technology of aluminum nitride obtaining during the combustion of aluminum nanopowder in air has been analyzed in the article. The investigation of the crystal phases of aluminum nanopowder combustion products obtained under the magnetic field exposure has been made. The experimental results showed the increase of aluminum nitride content up to 86 wt. % in comparison with the aluminum nitride content in combustion products without any exposure. The mechanism of aluminum nitride formation and stabilization in air was due to the oxygen molecules deactivation by light emission during combustion.

  7. Theoretical Studies of Catalysis on Supported Metal Clusters

    National Research Council Canada - National Science Library

    Metiu, Horia

    2005-01-01

    ... catalytic chemistry than large ones. In addition they used advanced quantum chemistry method to test whether density functional theory is capable of providing accurate results for adsorption of oxygen, hydrogen, and propene on gold clusters...

  8. Electrically Conductive Anodized Aluminum Surfaces

    Science.gov (United States)

    Nguyen, Trung Hung

    2006-01-01

    Anodized aluminum components can be treated to make them sufficiently electrically conductive to suppress discharges of static electricity. The treatment was conceived as a means of preventing static electric discharges on exterior satin-anodized aluminum (SAA) surfaces of spacecraft without adversely affecting the thermal-control/optical properties of the SAA and without need to apply electrically conductive paints, which eventually peel off in the harsh environment of outer space. The treatment can also be used to impart electrical conductivity to anodized housings of computers, medical electronic instruments, telephoneexchange equipment, and other terrestrial electronic equipment vulnerable to electrostatic discharge. The electrical resistivity of a typical anodized aluminum surface layer lies between 10(exp 11) and 10(exp 13) Omega-cm. To suppress electrostatic discharge, it is necessary to reduce the electrical resistivity significantly - preferably to surface becomes covered and the pores in the surface filled with a transparent, electrically conductive metal oxide nanocomposite. Filling the pores with the nanocomposite reduces the transverse electrical resistivity and, in the original intended outer-space application, the exterior covering portion of the nanocomposite would afford the requisite electrical contact with the outer-space plasma. The electrical resistivity of the nanocomposite can be tailored to a value between 10(exp 7) and 10(exp 12) Omega-cm. Unlike electrically conductive paint, the nanocomposite becomes an integral part of the anodized aluminum substrate, without need for adhesive bonding material and without risk of subsequent peeling. The electrodeposition process is compatible with commercial anodizing production lines. At present, the electronics industry uses expensive, exotic, electrostaticdischarge- suppressing finishes: examples include silver impregnated anodized, black electroless nickel, black chrome, and black copper. In

  9. Aluminum nanostructures for ultraviolet plasmonics

    Science.gov (United States)

    Martin, Jérôme; Khlopin, Dmitry; Zhang, Feifei; Schuermans, Silvère; Proust, Julien; Maurer, Thomas; Gérard, Davy; Plain, Jérôme

    2017-08-01

    An electromagnetic field is able to produce a collective oscillation of free electrons at a metal surface. This allows light to be concentrated in volumes smaller than its wavelength. The resulting waves, called surface plasmons can be applied in various technological applications such as ultra-sensitive sensing, Surface Enhanced Raman Spectroscopy, or metal-enhanced fluorescence, to name a few. For several decades plasmonics has been almost exclusively studied in the visible region by using nanoparticles made of gold or silver as these noble metals support plasmonic resonances in the visible and near-infrared range. Nevertheless, emerging applications will require the extension of nano-plasmonics toward higher energies, in the ultraviolet range. Aluminum is one of the most appealing metal for pushing plasmonics up to ultraviolet energies. The subsequent applications in the field of nano-optics are various. This metal is therefore a highly promising material for commercial applications in the field of ultraviolet nano-optics. As a consequence, aluminum (or ultraviolet, UV) plasmonics has emerged quite recently. Aluminium plasmonics has been demonstrated efficient for numerous potential applications including non-linear optics, enhanced fluorescence, UV-Surface Enhanced Raman Spectroscopy, optoelectronics, plasmonic assisted solid-state lasing, photocatalysis, structural colors and data storage. In this article, different preparation methods developed in the laboratory to obtain aluminum nanostructures with different geometries are presented. Their optical and morphological characterizations of the nanostructures are given and some proof of principle applications such as fluorescence enhancement are discussed.

  10. Excited electronic state decomposition mechanisms of clusters of ...

    Indian Academy of Sciences (India)

    Excited electronic state decomposition mechanisms of clusters of dimethylnitramine and aluminum. ANUPAM BERA and ATANU BHATTACHARYA. ∗. Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012, India e-mail: atanub@ipc.iisc.ernet.in. MS received 5 September 2014; ...

  11. Excited electronic state decomposition mechanisms of clusters of ...

    Indian Academy of Sciences (India)

    In this report, electronically non-adiabatic decomposition pathways of clusters of dimethylnitramine and aluminum (DMNA-Al and DMNA-Al2) are discussed in comparison to isolated dimethylnitramine (DMNA). Electronically excited state processes of DMNA-Al and DMNA-Al2 are explored using the complete active space ...

  12. Structure of hydrogenated amorphous silicon from ab initio molecular dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Buda, F. (Department of Physics, The Ohio State University, 174 West 18th Avenue, Columbus, Ohio (USA)); Chiarotti, G.L. (International School for Advanced Studies, Strada Costiera 11, I-34014 Trieste (Italy) Laboratorio Tecnologie Avanzate Superfici e Catalisi del Consorzio Interuniversitario Nazionale di Fisica della Materia, Padriciano 99, I-34012 Trieste (Italy)); Car, R. (International School for Advanced Studies, Strada Costiera 11, I-34014 Trieste (Italy) Institut Romard de Recherche Numerique en Physique des Materiaux, CH-1015 Lausanne, Switzerland Department of Condensed Matter Physics, University of Geneva, CH-1211 Geneva (Switzerland)); Parrinello, M. (IBM Research Division, Zurich Research Laboratory, CH-8803 Rueschlikon (Switzerland))

    1991-09-15

    We have generated a model of hydrogenated amorphous silicon by first-principles molecular dynamics. Our results are in good agreement with the available experimental data and provide new insight into the microscopic structure of this material. The calculation lends support to models in which monohydride complexes are prevalent, and indicates a strong tendency of hydrogen to form small clusters.

  13. Fuzzy Clustering

    DEFF Research Database (Denmark)

    Berks, G.; Keyserlingk, Diedrich Graf von; Jantzen, Jan

    2000-01-01

    and clustering are the basic concerns in medicine. Classification depends on definitions of the classes and their required degree of participant of the elements in the cases' symptoms. In medicine imprecise conditions are the rule and therefore fuzzy methods are much more suitable than crisp ones. Fuzzy c...

  14. Cluster Matters

    DEFF Research Database (Denmark)

    Gulati, Mukesh; Lund-Thomsen, Peter; Suresh, Sangeetha

    2018-01-01

    In this chapter, we investigate corporate social responsibility (CSR) in industrial clusters in the Indian context. We use the definition of CSR as given in the Indian Ministry of Corporate Affairs’ National Voluntary Guidelines (NVGs) for Business Responsibility: ‘the commitment of an enterprise...

  15. Theoretical Studies of Hydrogen Storage Alloys.

    Energy Technology Data Exchange (ETDEWEB)

    Jonsson, Hannes

    2012-03-22

    Theoretical calculations were carried out to search for lightweight alloys that can be used to reversibly store hydrogen in mobile applications, such as automobiles. Our primary focus was on magnesium based alloys. While MgH{sub 2} is in many respects a promising hydrogen storage material, there are two serious problems which need to be solved in order to make it useful: (i) the binding energy of the hydrogen atoms in the hydride is too large, causing the release temperature to be too high, and (ii) the diffusion of hydrogen through the hydride is so slow that loading of hydrogen into the metal takes much too long. In the first year of the project, we found that the addition of ca. 15% of aluminum decreases the binding energy to the hydrogen to the target value of 0.25 eV which corresponds to release of 1 bar hydrogen gas at 100 degrees C. Also, the addition of ca. 15% of transition metal atoms, such as Ti or V, reduces the formation energy of interstitial H-atoms making the diffusion of H-atoms through the hydride more than ten orders of magnitude faster at room temperature. In the second year of the project, several calculations of alloys of magnesium with various other transition metals were carried out and systematic trends in stability, hydrogen binding energy and diffusivity established. Some calculations of ternary alloys and their hydrides were also carried out, for example of Mg{sub 6}AlTiH{sub 16}. It was found that the binding energy reduction due to the addition of aluminum and increased diffusivity due to the addition of a transition metal are both effective at the same time. This material would in principle work well for hydrogen storage but it is, unfortunately, unstable with respect to phase separation. A search was made for a ternary alloy of this type where both the alloy and the corresponding hydride are stable. Promising results were obtained by including Zn in the alloy.

  16. Photoionization Spectroscopy of Clusters

    Science.gov (United States)

    Dao, Phan Danh

    Studies of the electronic energies in van der Waals molecules (sometimes referred to as clusters or complexes) help one unravel the microscopic details of the condensed state. Furthermore, they provide the connection between gas-phase and condensed-phase sciences. To achieve this goal, we undertake (1) the spectroscopic studies of van der Waals complexes; (2) the determination of the ionization energies of van der Waals complexes, as well as of mixed alkali metal clusters (e.g., K(,n)O); and (3) the studies of processes that occur upon and after the ionization of van der Waals molecules (namely, dissociation and intracluster reactions). A brief discussion of the non-equilibrium synthesis of weakly bound molecules is given. The operation and performance of the pulsed supersonic jet are described along with some theoretical considerations. The characteristic features of the technique of laser ionization are presented with emphasis on its performance as a spectroscopic tool. Resonance two-photon ionization and time-of-flight mass spectrometry provide us with the tool to measure the perturbed electronic excited state of van der Waals complexes. In these studies, the chromophore species is an aromatic molecule having a single ring (phenylacetylene and para-xylene); and the "solvent" species are rare gas atoms, as well as a variey of molecules. In the case of chromophore-rare gas complexes, the S(,1) excited state is red-shifted, with respect to the nascent chromophore, and the magnitude of the shift shows a definite dependence on the atomic polarizability. Other salient trends of the measured spectral shifts are also discussed. In the measurement of complex ionization energies, the use of two tunable UV lasers is required. With p-xylene(.)Ar(,n) complexes (n = 1-6), these energies vary almost linearly with the number of atoms. Also discussed in the text are the effects of ionization in a weak DC field. A simple hydrogenic model of field-ionization is experimentally

  17. Mechanochemical hydrogenation of coal

    Science.gov (United States)

    Yang, Ralph T.; Smol, Robert; Farber, Gerald; Naphtali, Leonard M.

    1981-01-01

    Hydrogenation of coal is improved through the use of a mechanical force to reduce the size of the particulate coal simultaneously with the introduction of gaseous hydrogen, or other hydrogen donor composition. Such hydrogen in the presence of elemental tin during this one-step size reduction-hydrogenation further improves the yield of the liquid hydrocarbon product.

  18. COMPARATIVE ANALYSIS OF STEEL AND ALUMINUM STRUCTURES

    Directory of Open Access Journals (Sweden)

    Josip Peko

    2016-12-01

    Full Text Available This study examined steel and aluminum variants of modern exhibition structures in which the main design requirements include low weight (increased span/depth ratio, transportation, and construction and durability (resistance to corrosion. This included a design situation in which the structural application of aluminum alloys provided an extremely convenient and practical solution. Viability of an aluminum structure depends on several factors and requires a detailed analysis. The overall conclusion of the study indicated that aluminum can be used as a structural material and as a viable alternative to steel for Croatian snow and wind load values and evidently in cases in which positive properties of aluminum are required for structural design. Furthermore, a structural fire analysis was conducted for an aluminum variant structure by using a zone model for realistic fire analysis. The results suggested that passive fire protection for the main structural members was not required in the event of areal fire with duration of 60 min.

  19. [Link between aluminum neurotoxicity and neurodegenerative disorders].

    Science.gov (United States)

    Kawahara, Masahiro

    2016-07-01

    Aluminum is an old element that has been known for a long time, but some of its properties are only now being discovered. Although environmentally abundant, aluminum is not essential for life; in fact, because of its specific chemical properties, aluminum inhibits more than 200 biologically important functions and exerts various adverse effects in plants, animals, and humans. Aluminum is a widely recognized neurotoxin. It has been suggested that there is a relationship between exposure to aluminum and neurodegenerative diseases, including dialysis encephalopathy, amyotrophic lateral sclerosis and parkinsonism dementia in the Kii Peninsula and Guam, as well as Alzheimer' s disease: however, this claim remains to be verified. In this chapter, we review the detailed characteristics of aluminum neurotoxicity and the link between Alzheimer' s disease and other neurodegenerative diseases, based on recent findings on metal-metal interactions and the functions of metalloproteins in synapses.

  20. Production of anhydrous aluminum chloride composition

    Science.gov (United States)

    Vandergrift, G.F. III; Krumpelt, M.; Horwitz, E.P.

    1981-10-08

    A process is described for producing an anhydrous aluminum chloride composition from a water-based aluminous material such as a slurry of aluminum hydroxide in a multistage extraction process in which the aluminum ion is first extracted into an organic liquid containing an acidic extractant and then extracted from the organic phase into an alkali metal chloride or chlorides to form a melt containing a mixture of chlorides of alkali metal and aluminum. In the process, the organic liquid may be recycled. In addition, the process advantageously includes an electrolysis cell for producing metallic aluminum and the alkali metal chloride or chlorides may be recycled for extraction of the aluminum from the organic phase.

  1. Aluminum and aluminum nitride formation in sapphire by ion beam synthesis

    OpenAIRE

    Stritzker, Bernd

    2000-01-01

    Aluminum and aluminum nitride formation in sapphire by ion beam synthesis / J. K. N. Lindner, W. Schlosser, and B. Stritzker. - In: Nuclear instruments & methods in physics research. B. 166. 2000. S. 133-139

  2. Experimental studies of thermal and chemical interactions between molten aluminum and water

    Energy Technology Data Exchange (ETDEWEB)

    Farahani, A.A.; Corradini, M.L. [Univ. of Wisconsin, Madison, WI (United States)

    1995-09-01

    The possibility of rapid physical and chemical aluminum/water interactions during a core melt accident in a noncommercial reactor (e.g., HFIR, ATR) has resulted in extensive research to determine the mechanism by which these interactions occur and propagate on an explosive time scale. These events have been reported in nuclear testing facilities, i.e., during SPERT 1D experiment, and also in aluminum casting industries. Although rapid chemical reactions between molten aluminum and water have been subject of many studies, very few reliable measurements of the extent of the chemical reactions have thus far been made. We have modified an existing 1-D shock tube facility to perform experiments in order to determine the extent of the explosive thermal/chemical interactions between molton aluminum and water by measuring important physical quantities such as the maximum dynamic pressure and the amount of the generated hydrogen. Experimental results show that transient pressures greater than 69 MPa with a rise time of less than 125 {mu}sec can occur as the result of the chemical reaction of 4.2 grams of molton aluminum (approximately 15% of the total mass of the fuel of 28 grams) at 980 C with room temperature water.

  3. Effect of Degassing Treatment on the Interfacial Reaction of Molten Aluminum and Solid Steel

    Directory of Open Access Journals (Sweden)

    Triyono T.

    2017-06-01

    Full Text Available The gas porosity is one of the most serious problems in the casting of aluminum. There are several degassing methods that have been studied. During smelting of aluminum, the intermetallic compound (IMC may be formed at the interface between molten aluminum and solid steel of crucible furnace lining. In this study, the effect of degassing treatment on the formations of IMC has been investigated. The rectangular substrate specimens were immersed in a molten aluminum bath. The holding times of the substrate immersions were in the range from 300 s to 1500 s. Two degassing treatments, argon degassing and hexachloroethane tablet degassing, were conducted to investigate their effect on the IMC formation. The IMC was examined under scanning electron microscope with EDX attachment. The thickness of the IMC layer increased with increasing immersion time for all treatments. Due to the high content of hydrogen, substrate specimens immersed in molten aluminum without degasser had IMC layer which was thicker than others. Argon degassing treatment was more effective than tablet degassing to reduce the IMC growth. Furthermore, the hard and brittle phase of IMC, FeAl3, was formed dominantly in specimens immersed for 900 s without degasser while in argon and tablet degasser specimens, it was formed partially.

  4. The Solubility of Aluminum in Cryolite-Based Electrolyte-Containing KF

    Science.gov (United States)

    Zhang, Yu; Yu, Jiangyu; Gao, Bingliang; Liu, Yibai; Hu, Xianwei; Shi, Zhongning; Wang, Zhaowen

    2016-04-01

    The solubility of aluminum in NaF-AlF3-CaF2-KF-A12O3 electrolyte system at 1253 K (980 °C) has been measured by the analysis of quenched samples saturated with aluminum. The content of the dissolved metal in the quenched melt was determined by collecting the volume of hydrogen gas when a finely crushed sample is treated with HCl. Addition of 0 to 5 pct KF has no obvious effect on the solubility of aluminum in cryolite-based melts with molar ratio of NaF/AlF3 (cryolite ratio) ranging from 2.2 to 3.0. The solubility of aluminum increases from 0.015 to 0.026 wt pct with cryolite ratio increases from 2.2 to 4.0 in the NaF-AlF3-5 wt pct CaF2-3 wt pct A12O3 electrolyte at 1253 K (980 °C). Aluminum solubility was affected by both chemical replacement reaction of Al + 3NaF = AlF3 + 3Na and physical dissolution.

  5. PREPARATION OF ACTINIDE-ALUMINUM ALLOYS

    Science.gov (United States)

    Moore, R.H.

    1962-09-01

    BS>A process is given for preparing alloys of aluminum with plutonium, uranium, and/or thorium by chlorinating actinide oxide dissolved in molten alkali metal chloride with hydrochloric acid, chlorine, and/or phosgene, adding aluminum metal, and passing air and/or water vapor through the mass. Actinide metal is formed and alloyed with the aluminum. After cooling to solidification, the alloy is separated from the salt. (AEC)

  6. Aluminum-stabilized NB3SN superconductor

    Science.gov (United States)

    Scanlan, Ronald M.

    1988-01-01

    An aluminum-stabilized Nb.sub.3 Sn superconductor and process for producing same, utilizing ultrapure aluminum. Ductile components are co-drawn with aluminum to produce a conductor suitable for winding magnets. After winding, the conductor is heated to convert it to the brittle Nb.sub.3 Sn superconductor phase, using a temperature high enough to perform the transformation but still below the melting point of the aluminum. This results in reaction of substantially all of the niobium, while providing stabilization and react-in-place features which are beneficial in the fabrication of magnets utilizing superconducting materials.

  7. An all aluminum alloy UHV components

    International Nuclear Information System (INIS)

    Sugisaki, Kenzaburo

    1985-01-01

    An all aluminum components was developed for use with UHV system. Aluminum alloy whose advantage are little discharge gas, easy to bake out, light weight, little damage against radieactivity radiation is used. Therefore, as it is all aluminum alloy, baking is possible. Baking temperature is 150 deg C in case of not only ion pump, gate valve, angle valve but also aluminum components. Ion pump have to an ultrahigh vacuum of order 10 -9 torr can be obtained without baking, 10 -10 torr order can be obtained after 24 hour of baking. (author)

  8. Nd:YAG laser welding aluminum alloys

    Energy Technology Data Exchange (ETDEWEB)

    Jimenez, E. Jr.

    1992-02-01

    Autogenous Nd:YAG laser welding wrought 4047, 1100, 3003, 2219, 5052, 5086, 5456, and 6061 and cast A356 aluminum alloys to cast A356 aluminum alloy in restrained annular weld joints was investigated. The welds were 12.7 mm (0.375 in.) and 9.5 mm (0.375 in.) diameter with approximately 0.30 mm (0.012 in.) penetration. This investigation determined 4047 aluminum alloy to be the optimum alloy for autogenous Nd:YAG laser welding to cast A356 aluminum alloy. This report describes the investigation and its results.

  9. 40 CFR 180.1091 - Aluminum isopropoxide and aluminum secondary butoxide; exemption from the requirement of a...

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Aluminum isopropoxide and aluminum... PESTICIDE CHEMICAL RESIDUES IN FOOD Exemptions From Tolerances § 180.1091 Aluminum isopropoxide and aluminum secondary butoxide; exemption from the requirement of a tolerance. Aluminum isopropoxide (CAS Reg. No. 555...

  10. Cluster forcing

    DEFF Research Database (Denmark)

    Christensen, Thomas Budde

    , Portugal and New Zealand have adopted the concept. Public sector interventions that aim to support cluster development in industries most often focus upon economic policy goals such as enhanced employment and improved productivity, but rarely emphasise broader societal policy goals relating to e.......g. sustainability or quality of life. The purpose of this paper is to explore how and to what extent public sector interventions that aim at forcing cluster development in industries can support sustainable development as defined in the Brundtland tradition and more recently elaborated in such concepts as eco...... in 2000 by the Welsh Automotive Task Force under the Welsh Assembly Government. The Accelerate programme takes basically different two directions: The first one, which was the first to be launched, is concerned with the upgrading of existing supply chains in the automotive industry in Wales. The programme...

  11. Hydrogen in metals

    CSIR Research Space (South Africa)

    Carter, TJ

    2001-04-01

    Full Text Available of hydrogen in metals processing and treatment identified, and mechanisms for hydrogen entry into a ferritic surface are discussed. The differences between hydrogen attack of ferritic steels and copper alloys are contrasted, and an unusual case study...

  12. Regional Innovation Clusters

    Data.gov (United States)

    Small Business Administration — The Regional Innovation Clusters serve a diverse group of sectors and geographies. Three of the initial pilot clusters, termed Advanced Defense Technology clusters,...

  13. Photovoltaic Hydrogen Sensor

    Science.gov (United States)

    Daud, Taher; Janesick, James R.; Lambe, John

    1989-01-01

    Photovoltaic device senses hydrogen developed to test degradation of diodes with platinum flash gates on backs. Sensing element is p/n junction rather than conventional Schottky barrier or metal oxide/silicon field-effect transistor. Hydrogen-indicating electrical signal modulated optically rather than electrically. Layered structure of hydrogen detector and principle of operation resemble silicon solar photovoltaic cell. Hydrogen detector responds to hydrogen in atmosphere within minutes and recovers quickly when hydrogen removed.

  14. Hydrogen embrittlement in nickel-hydrogen cells

    Science.gov (United States)

    Gross, Sidney

    1989-01-01

    It was long known that many strong metals can become weakened and brittle as the result of the accumulation of hydrogen within the metal. When the metal is stretched, it does not show normal ductile properties, but fractures prematurely. This problem can occur as the result of a hydrogen evolution reaction such as corrosion or electroplating, or due to hydrogen in the environment at the metal surface. High strength alloys such as steels are especially susceptible to hydrogen embrittlement. Nickel-hydrogen cells commonly use Inconel 718 alloy for the pressure container, and this also is susceptible to hydrogen embrittlement. Metals differ in their susceptibility to embrittlement. Hydrogen embrittlement in nickel-hydrogen cells is analyzed and the reasons why it may or may not occur are discussed. Although Inconel 718 can display hydrogen embrittlement, experience has not identified any problem with nickel-hydrogen cells. No hydrogen embrittlement problem is expected with the 718 alloy pressure container used in nickel-hydrogen cells.

  15. Dynamics of hydrogen in hydrogenated amorphous silicon

    Indian Academy of Sciences (India)

    c0, c being the instantaneous concentration at a local point and c0, the average concentration of hydrogen in the hydrogenated amorphous silicon. If the system is both incompressible and isotropic, the change in Helmholtz free energy due to fluctuations in the local concentration of hydrogen is given as. 122. Pramana – J.

  16. Agglomeration Versus Localization Of Hydrogen In BCC Fe Vacancies

    International Nuclear Information System (INIS)

    Simonetti, S.; Juan, A.; Brizuela, G.; Simonetti, S.

    2006-01-01

    Severe embrittlement can be produced in many metals by small amounts of hydrogen. The interactions of hydrogen with lattice imperfections are important and often dominant in determining the influence of this impurity on the properties of solids. The interaction between four-hydrogen atoms and a BCC Fe structure having a vacancy has been studied using a cluster model and a semiempirical method. For a study of sequential absorption, the hydrogen atoms were positioned in their energy minima configurations, near to the tetrahedral sites neighbouring the vacancy. VH 2 and VH 3 complexes are energetically the most stables in BCC Fe. The studies about the stability of the hydrogen agglomeration gave as a result that the accumulation is unfavourable in complex vacancy-hydrogen with more than three atoms of hydrogen. (authors)

  17. Final Report: Metal Perhydrides for Hydrogen Storage

    Energy Technology Data Exchange (ETDEWEB)

    Hwang, J-Y.; Shi, S.; Hackney, S.; Swenson, D.; Hu, Y.

    2011-07-26

    H molecule contains one hydrogen atom because the valence of a Li ion is +1. One MgH2 molecule contains two hydrogen atoms because the valence of a Mg ion is +2. In metal perhydrides, a molecule could contain more hydrogen atoms than expected based on the metal valance, i.e. LiH1+n and MgH2+n (n is equal to or greater than 1). When n is sufficiently high, there will be plenty of hydrogen storage capacity to meet future requirements. The existence of hydrogen clusters, Hn+ (n = 5, 7, 9, 11, 13, 15) and transition metal ion-hydrogen clusters, M+(H2)n (n = 1-6), such as Sc(H2)n+, Co(H2)n+, etc., have assisted the development of this concept. Clusters are not stable species. However, their existence stimulates our approach on using electric charges to enhance the hydrogen adsorption in a hydrogen storage system in this study. The experimental and modeling work to verify it are reported here. Experimental work included the generation of cold hydrogen plasma through a microwave approach, synthesis of sorbent materials, design and construction of lab devices, and the determination of hydrogen adsorption capacities on various sorbent materials under various electric field potentials and various temperatures. The results consistently show that electric potential enhances the adsorption of hydrogen on sorbents. NiO, MgO, activated carbon, MOF, and MOF and platinum coated activated carbon are some of the materials studied. Enhancements up to a few hundred percents have been found. In general, the enhancement increases with the electrical potential, the pressure applied, and the temperature lowered. Theoretical modeling of the hydrogen adsorption on the sorbents under the electric potential has been investigated with the density functional theory (DFT) approach. It was found that the interaction energy between hydrogen and sorbent is increased remarkably when an electric field is applied. This increase of binding energy offers a potential solution for DOE when looking for a compromise

  18. Clustered impacts - Experiments and implications. [cratering mechanics

    Science.gov (United States)

    Schultz, P. H.; Gault, D. E.

    1985-01-01

    The characteristics of impact by clusters of projectiles are experimentally studied by launching grouped projectiles of aluminum shot, steel shot, iron filings, and sand. Cratering efficiency is considered as a function of a dimensionless parameter related to projectile size and impact velocity. The effects of different target and projectile densities on cratering efficiency are examined. Crater morphology is addressed by considering a typical example, reviewing the systematics between cluster dispersion and crater morphology for vertical impacts, and examining oblique angle impacts which have relevance for planetary secondary cratering processes. These results are compared with impacts by single bodies with different strengths. The evolution of the ejecta plume for clustered impacts is compared to that for single-body impacts for vertical and oblique impacts from 1.3 to 1.8 km/s. The experimental results are discussed in the context of planetary surface processes, emphasizing processes in an atmosphere-free environment and secondary impact cratering.

  19. Mass Analyses of Cluster Ion Beams by Wien Filter

    Science.gov (United States)

    Yano, Katsuki; Be, Suck Hee

    1980-06-01

    Distributions of mass of cluster ion beams were investigated by using a Wien filter with permanent magnets, which is 200 mm in length. Resolving powers of the Wien filter in the mass range of 103 to 106 a.m.u. were estimated. The Wien filter is useful for studies of clusters having 102-104 molecules/cluster. Argon cluster beams were ionized up to about ten charges when ionizing current was 15 mA. There were two different mass groups in hydrogen cluster beams produced, even at gas temperature of 77.3 K.

  20. Applications of ion implantation for modifying the interactions between metals and hydrogen gas

    Science.gov (United States)

    Musket, R. G.

    1989-04-01

    Ion implantations into metals have been shown recently to either reduce or enhance interactions with gaseous hydrogen. Published studies concerned with modifications of these interactions are reviewed and discussed in terms of the mechanisms postulated to explain the observed changes. The interactions are hydrogenation, hydrogen permeation, and hydrogen embrittlement. In particular, the results of the reviewed studies are (a) uranium hydriding suppressed by implantation of oxygen and carbon, (b) hydrogen gettered in iron and nickel using implantation of titanium, (c) hydriding of titanium catalyzed by implanted palladium, (d) tritium permeation of 304L stainless steel reduced using selective oxidation of implanted aluminum, and (e) hydrogen attack of a low-alloy steel accelerated by implantation of helium. These studies revealed ion implantation to be an effective method for modifying the interactions of hydrogen gas with metals.

  1. Applications of ion implantation for modifying the interactions between metals and hydrogen gas

    International Nuclear Information System (INIS)

    Musket, R.G.

    1989-01-01

    Ion implantations into metals have been shown recently to either reduce or enhance interactions with gaseous hydrogen. Published studies concerned with modifications of these interactions are reviewed and discussed in terms of the mechanisms postulated to explain the observed changes. The interactions are hydrogenation, hydrogen permeation and hydrogen embrittlement. In particular, the results of the reviewed studies are 1. uranium hydriding suppressed by implantation of oxygen and carbon, 2. hydrogen gettered in iron and nickel using implantation of titanium, 3. hydriding of titanium catalyzed by implanted palladium, 4. tritium permeation of 304L stainless steel reduced using selective oxidation of implanted aluminum, and 5. hydrogen attack of a low-alloy steel accelerated by implantation of helium. These studies revealed ion implantation to be an effective method for modifying the interactions of hydrogen gas with metals. (orig.)

  2. Aluminum induced proteome changes in tomato cotyledons

    Science.gov (United States)

    Cotyledons of tomato seedlings that germinated in a 20 µM AlK(SO4)2 solution remained chlorotic while those germinated in an aluminum free medium were normal (green) in color. Previously, we have reported the effect of aluminum toxicity on root proteome in tomato seedlings (Zhou et al. J Exp Bot, 20...

  3. Aluminum extrusion with a deformable die

    NARCIS (Netherlands)

    Assaad, W.

    2010-01-01

    Aluminum extrusion process is one of metal forming processes. In aluminum extrusion, a work-piece (billet) is pressed through a die with an opening that closely resembles a desired shape of a profile. By this process, long profiles with an enormous variety of cross-sections can be produced to

  4. Scientific Background for Processing of Aluminum Waste

    Science.gov (United States)

    Kononchuk, Olga; Alekseev, Alexey; Zubkova, Olga; Udovitsky, Vladimir

    2017-11-01

    Changing the source of raw materials for producing aluminum and the emergence of a huge number of secondary alumina waste (foundry slag, sludge, spent catalysts, mineral parts of coal and others that are formed in various industrial enterprises) require the creation of scientific and theoretical foundations for their processing. In this paper, the aluminum alloys (GOST 4784-97) are used as an aluminum raw material component, containing the aluminum component produced as chips in the machine-building enterprises. The aluminum waste is a whole range of metallic aluminum alloys including elements: magnesium, copper, silica, zinc and iron. Analysis of the aluminum waste A1- Zn-Cu-Si-Fe shows that depending on the content of the metal the dissolution process of an aluminum alloy should be treated as the result of the chemical interaction of the metal with an alkaline solution. It is necessary to consider the behavior of the main components of alloys in an alkaline solution as applied to the system Na2O - Al2O3 - SiO2 - CO2 - H2O.

  5. Aluminum low temperature smelting cell metal collection

    Science.gov (United States)

    Beck, Theodore R.; Brown, Craig W.

    2002-07-16

    A method of producing aluminum in an electrolytic cell containing alumina dissolved in an electrolyte. The method comprises the steps of providing a molten salt electrolyte in an electrolytic cell having an anodic liner for containing the electrolyte, the liner having an anodic bottom and walls including at least one end wall extending upwardly from the anodic bottom, the anodic liner being substantially inert with respect to the molten electrolyte. A plurality of non-consumable anodes is provided and disposed vertically in the electrolyte. A plurality of cathodes is disposed vertically in the electrolyte in alternating relationship with the anodes. The anodes are electrically connected to the anodic liner. An electric current is passed through the anodic liner to the anodes, through the electrolyte to the cathodes, and aluminum is deposited on said cathodes. Oxygen bubbles are generated at the anodes and the anodic liner, the bubbles stirring the electrolyte. Molten aluminum is collected from the cathodes into a tubular member positioned underneath the cathodes. The tubular member is in liquid communication with each cathode to collect the molten aluminum therefrom while excluding electrolyte. Molten aluminum is delivered through the tubular member to a molten aluminum reservoir located substantially opposite the anodes and cathodes. The molten aluminum is collected from the cathodes and delivered to the reservoir while avoiding contact of the molten aluminum with the anodic bottom.

  6. Plastic-aluminum composites in transportation infrastructure.

    Science.gov (United States)

    2017-03-01

    This report presents an initial investigation of the mechanics of I-beams developed with plastic-aluminum composite technology. Plastic-aluminum composites in structural beam/frame/truss elements are a relatively new concept that has seen little, if ...

  7. Laboratory Powder Metallurgy Makes Tough Aluminum Sheet

    Science.gov (United States)

    Royster, D. M.; Thomas, J. R.; Singleton, O. R.

    1993-01-01

    Aluminum alloy sheet exhibits high tensile and Kahn tear strengths. Rapid solidification of aluminum alloys in powder form and subsequent consolidation and fabrication processes used to tailor parts made of these alloys to satisfy such specific aerospace design requirements as high strength and toughness.

  8. Removal of Inclusions from Aluminum Through Filtration

    Science.gov (United States)

    Damoah, Lucas Nana Wiredu; Zhang, Lifeng

    2010-08-01

    Filtration experiments were carried out using both an AlF3 slurry-coated and an uncoated Al2O3 ceramic foam filter to study the removal of nonmetallic inclusions and impurity elements. The results showed that the 30-ppi ceramic foam filter removed up to 85 pct inclusions from aluminum. Several pictures of two- and three-dimensional morphologies of both nonmetallic and intermetallics inclusions also have been presented. The following contributing mechanisms for the removal of nonmetallic inclusions in the deep-bed filtration mode are proposed: (1) collision with walls and interception effect and (2) the formation of both intermetallic and nonmetallic inclusion bridges during filtration. Fluid dynamics modeling of inclusion attachment to the filter walls showed that most inclusions, especially those with larger sizes, are entrapped at the upper part of the filter, whereas smaller inclusions are dispersed well throughout the filter. The calculated inclusions removal fractions for the 30-ppi filter showed that almost all inclusions >125 μm are removed, and inclusions ~5 μm in size are removed up to 85 pct. The interfacial energy between two collided same-size inclusions was calculated, indicating that a strong clustering of inclusions may result within the filter window. Magnesium impurities were removed up to 86 pct by the AlF3 slurry-coated filter. The filter acted in active filtration mode in addition to the contribution of the air oxidation of dissolved [Mg], which was calculated to be 13 pct. The total mass transfer coefficient of dissolved [Mg] to the reaction interface was calculated to be 1.15 × 10-6 m/s.

  9. Proposal of recycling system for waste aluminum

    Directory of Open Access Journals (Sweden)

    Š. Valenčík

    2008-04-01

    Full Text Available Introduced work is focused on waste aluminum recycling process with objective to propose complex production system for recovering of aluminum and some aluminum alloys. Solution is supported by extended analysis concerning purpose, basis and system sequences for recyclation. Based on that, sources, possibilities and conditions for recycling are formed. This has been used in proposal of manufacturing system. The principle is the structural proposal of manufacturing system, which does not only differentiate the stage of aluminum melting process, but also related stages as gross separation, sizing, containerisation and batching, palletisation, stacking and some related operations. Production system respects technological specifications, requirements for rationalisation of manufacturing systems, technical and economical feasibility conditions and is considered in lower automation level. However production system solves complex problem of recycling of some types of aluminum, it improves flexibility, production, quality (melting by high enforcements and in protective atmosphere and extention of production (final products production.

  10. Aluminum-based metal-air batteries

    Science.gov (United States)

    Friesen, Cody A.; Martinez, Jose Antonio Bautista

    2016-01-12

    Provided in one embodiment is an electrochemical cell, comprising: (i) a plurality of electrodes, comprising a fuel electrode that comprises aluminum and an air electrode that absorbs gaseous oxygen, the electrodes being operable in a discharge mode wherein the aluminum is oxidized at the fuel electrode and oxygen is reduced at the air electrode, and (ii) an ionically conductive medium, comprising an organic solvent; wherein during non-use of the cell, the organic solvent promotes formation of a protective interface between the aluminum of the fuel electrode and the ionically conductive medium, and wherein at an onset of the discharge mode, at least some of the protective interface is removed from the aluminum to thereafter permit oxidation of the aluminum during the discharge mode.

  11. Hydrogen converters

    International Nuclear Information System (INIS)

    Mondino, Angel V.

    2003-01-01

    The National Atomic Energy Commission of Argentina developed a process of 99 Mo production from fission, based on irradiation of uranium aluminide targets with thermal neutrons in the RA-3 reactor of the Ezeiza Atomic Centre. These targets are afterwards dissolved in an alkaline solution, with the consequent liberation of hydrogen as the main gaseous residue. This work deals with the use of a first model of metallic converter and a later prototype of glass converter at laboratory scale, adjusted to the requirements and conditions of the specific redox process. Oxidized copper wires were used, which were reduced to elementary copper at 400 C degrees and then regenerated by oxidation with hot air. Details of the bed structure and the operation conditions are also provided. The equipment required for the assembling in cells is minimal and, taking into account the operation final temperature and the purge with nitrogen, the procedure is totally safe. Finally, the results are extrapolated for the design of a converter to be used in a hot cell. (author)

  12. Aluminum phosphate shows more adjuvanticity than Aluminum hydroxide in recombinant hepatitis –B vaccine formulation

    Directory of Open Access Journals (Sweden)

    2008-08-01

    Full Text Available Background: Although a number of investigation have been carried out to find alternative adjuvants to aluminum salts in vaccine formulations, they are still extensively used due to their good track record of safety, low cost and proper adjuvanticity with a variety of antigens. Adsorption of antigens onto aluminum compounds depends heavily on electrostatic forces between adjuvant and antigen. Commercial recombinant protein hepatitis B vaccines containing aluminum hydroxide as adjuvant is facing low induction of immunity in some sections of the vaccinated population. To follow the current global efforts in finding more potent hepatitis B vaccine formulation, adjuvanticity of aluminum phosphate has been compared to aluminum hydroxide. Materials and methods: The adjuvant properties of aluminum hydroxide and aluminum phosphate in a vaccine formulation containing a locally manufactured hepatitis B (HBs surface antigen was evaluated in Balb/C mice. The formulations were administered intra peritoneally (i.p. and the titers of antibody which was induced after 28 days were determined using ELISA technique. The geometric mean of antibody titer (GMT, seroconversion and seroprotection rates, ED50 and relative potency of different formulations were determined. Results: All the adjuvanicity markers obtained in aluminum phosphate formulation were significantly higher than aluminum hydroxide. The geometric mean of antibody titer of aluminum phosphate was approximately three folds more than aluminum hydroxide. Conclusion: Aluminum phosphate showed more adjuvanticity than aluminum hydroxide in hepatitis B vaccine. Therefore the use of aluminum phosphate as adjuvant in this vaccine may lead to higher immunity with longer duration of effects in vaccinated groups.

  13. Method and apparatus for hydrogen production from water

    Science.gov (United States)

    Muradov, Nazim Z. (Inventor)

    2012-01-01

    A method, apparatuses and chemical compositions are provided for producing high purity hydrogen from water. Metals or alloys capable of reacting with water and producing hydrogen in aqueous solutions at ambient conditions are reacted with one or more inorganic hydrides capable of releasing hydrogen in aqueous solutions at ambient conditions, one or more transition metal compounds are used to catalyze the reaction and, optionally, one or more alkali metal-based compounds. The metal or alloy is preferably aluminum. The inorganic hydride is from a family of complex inorganic hydrides; most preferably, NaBH.sub.4. The transition metal catalyst is from the groups VIII and IB; preferably, Cu and Fe. The alkali metal-based compounds are preferably NaOH, KOH, and the like. Hydrogen generated has a purity of at least 99.99 vol. % (dry basis), and is used without further purification in all types of fuel cells, including the polymer electrolyte membrane (PEM) fuel cell.

  14. Novel Hydrogen Compounds from a Potassium Carbonate Electrolytic Cell

    International Nuclear Information System (INIS)

    Mills, Randell L.

    2000-01-01

    Novel compounds containing hydrogen in new hydride and polymeric states that demonstrate novel hydrogen chemistry have been isolated following the electrolysis of a K 2 CO 3 electrolyte with the production of excess energy. Inorganic hydride clusters K[KH KHCO 3 ] n + and hydrogen polymer ions such as OH 23 + and H 16 - were identified by time-of-flight secondary ion mass spectroscopy. The presence of compounds containing new states of hydrogen was confirmed by X-ray photoelectron spectroscopy, X-ray diffraction, Fourier transform infrared spectroscopy, Raman spectroscopy, and proton nuclear magnetic resonance spectroscopy

  15. British Columbia hydrogen and fuel cell strategy : an industry vision for our hydrogen future

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2004-05-15

    British Columbia's strategy for global leadership in hydrogen fuel cell technology was outlined. It was suggested that hydrogen and fuel cells will power a significant portion of the province by 2020, and will be used in homes, businesses, industry and transportation. The following 3 streams of activity were identified as leading to the achievement of this vision: (1) a hydrogen highway of technology demonstrations in vehicles, refuelling facilities and stationary power systems in time for and building on the 2010 Winter Olympic and Paralympic Games, (2) the development of a globally leading sustainable energy technology cluster that delivers products and services as well as securing high-value jobs, and (3) the renewal of the province's resource heartlands to supply the fuel and knowledge base for hydrogen-based communities and industries, and clean hydrogen production and distribution. It was suggested that in order to achieve the aforementioned goals, the government should promote the hydrogen highway and obtain $135 million in funding from various sources. It was recommended that the BC government and members of industry should also work with the federal government and other provinces to make Canada an early adopter market. Creative markets for BC products and services both in Canada and abroad will be accomplished by global partnerships, collaboration with Alberta and the United States. It was suggested that in order to deploy clean energy technologies, BC must integrate their strategy into the province's long-term sustainable energy plan. It was concluded that the hydrogen and fuel cell cluster has already contributed to the economy through jobs, private sector investment and federal and provincial tax revenues. The technology cluster's revenues have been projected at $3 billion with a workforce of 10,000 people by 2010. The hydrogen economy will reduce provincial air emissions, improve public health, and support sustainable tourism

  16. A hydrogen ice cube

    NARCIS (Netherlands)

    Peters, C.J.; Schoonman, J.; Schrauwers, A.

    2004-01-01

    Hydrogen is considered to be a highly promising energy carrier. Nonetheless, before hydrogen can become the fuel of choice for the future a number of slight problems will have to be overcome. For example, how can hydrogen be safely stored? Motor vehicles running on hydrogen may be clean in concept

  17. Orbital fabrication of aluminum foam and apparatus therefore

    Science.gov (United States)

    Tucker, Dennis S. (Inventor)

    2010-01-01

    A process for producing foamed aluminum in space comprising the steps of: heating aluminum until it is molten; applying the force of gravity to the molten aluminum; injecting gas into the molten aluminum to produce molten foamed aluminum; and allowing the molten foamed aluminum to cool to below melting temperature. The apparatus for carrying out this invention comprises: a furnace which rotates to simulate the force of gravity and heats the aluminum until it is molten; a door on the furnace, which is opened for charging the aluminum into the furnace, closed for processing and opened again for removal of the foamed aluminum; a gas injection apparatus for injecting gas into the molten aluminum within the furnace; and an extraction apparatus adjacent the door for removing the foamed aluminum from the furnace.

  18. Hydrogen as a New Alloying Element in Metals

    International Nuclear Information System (INIS)

    Shapovalov, Vladimir

    1999-01-01

    Hydrogen was regarded as a harmful impurity in many alloys and particularly in steels where it gives rise to a specific type of embrittlement and forms various discontinuities like flakes and blowholes. For this reason, the researcher efforts were mainly focused on eliminating hydrogen's negative impacts and explaining its uncommonly high diffusivity in condensed phases. Meanwhile, positive characteristics of hydrogen as an alloying element remained unknown for quite a long time. Initial reports in this field did not appear before the early 1970s. Data on new phase diagrams are given for metal-hydrogen systems where the metal may or may not form hydrides. Various kinds of hydrogen impact on structure formation in solidification, melting and solid-solid transformations are covered. Special attention is given to the most popular alloys based on iron, aluminum, copper, nickel, magnesium and titanium. Detailed is what is called gas-eutectic reaction resulting in a special type of gas-solid structure named gasarite. Properties and applications of gasars - gasaritic porous materials - are dealt with. Various versions of solid-state alloying with hydrogen are discussed that change physical properties and fabrication characteristics of metals. Details are given on a unique phenomenon of anomalous spontaneous deformation due to combination of hydrogen environment and polymorphic transformation. All currently known versions of alloying with hydrogen are categorized for both hydride-forming and non-hydrid forming metals

  19. Biofuel combustion. Energetics and kinetics of hydrogen abstraction from carbon-1 in n-butanol by the hydroperoxyl radical calculated by coupled cluster and density functional theories and multistructural variational transition-state theory with multidimensional tunneling.

    Science.gov (United States)

    Alecu, I M; Zheng, Jingjing; Papajak, Ewa; Yu, Tao; Truhlar, Donald G

    2012-12-20

    Multistructural canonical variational transition-state theory with small-curvature multidimensional tunneling (MS-CVT/SCT) is employed to calculate thermal rate constants for hydrogen-atom abstraction from carbon-1 of n-butanol by the hydroperoxyl radical over the temperature range 250-2000 K. The M08-SO hybrid meta-GGA density functional was validated against CCSD(T)-F12a explicitly correlated wave function calculations with the jul-cc-pVTZ basis set. It was then used to compute the properties of all stationary points and the energies and Hessians of a few nonstationary points along the reaction path, which were then used to generate a potential energy surface by the multiconfiguration Shepard interpolation (MCSI) method. The internal rotations in the transition state for this reaction (like those in the reactant alcohol) are strongly coupled to each other and generate multiple stable conformations, which make important contributions to the partition functions. It is shown that neglecting to account for the multiple-structure effects and torsional potential anharmonicity effects that arise from the torsional modes would lead to order-of-magnitude errors in the calculated rate constants at temperatures of interest in combustion.

  20. Electric arc hydrogen heaters

    International Nuclear Information System (INIS)

    Zasypin, I.M.

    2000-01-01

    The experimental data on the electric arc burning in hydrogen are presented. Empirical and semiempirical dependences for calculating the arc characteristics are derived. An engineering method of calculating plasma torches for hydrogen heating is proposed. A model of interaction of a hydrogen arc with a gas flow is outlined. The characteristics of plasma torches for heating hydrogen and hydrogen-bearing gases are described. (author)

  1. Scientific basis for storage criteria for interim dry storage of aluminum-clad fuels

    Energy Technology Data Exchange (ETDEWEB)

    Sindelar, R.L.; Peacock, H.B. Jr.; Lam, P.S.; Iyer, N.C.; Louthan, M.R. Jr.; Murphy, J.R. [Westinghouse Savannah River Co., Aiken, SC (United States)

    1996-08-01

    An engineered system for dry storage of aluminum-clad foreign and domestic research reactor spent fuel owned by the US Department of Energy is being considered to store the fuel up to a nominal period of 40 years prior to ultimate disposition. Scientifically-based criteria for environmental limits to drying and storing the fuels for this system are being developed to avoid excessive degradation in sealed and non-sealed (open to air) dry storage systems. These limits are based on consideration of degradation modes that can cause loss of net section of the cladding, embrittlement of the cladding, distortion of the fuel, or release of fuel and fission products from the fuel/clad system. Potential degradation mechanisms include corrosion mechanisms from exposure to air and/or sources of humidity, hydrogen blistering of the aluminum cladding, distortion of the fuel due to creep, and interdiffusion of the fuel and fission products with the cladding. The aluminum-clad research reactor fuels are predominantly highly-enriched aluminum uranium alloy fuel which is clad with aluminum alloys similar to 1100, 5052, and 6061 aluminum. In the absence of corrodant species, degradation due to creep and diffusion mechanisms limit the maximum fuel storage temperature to 200 C. The results of laboratory scale corrosion tests indicate that this fuel could be stored under air up to 200 C at low relative humidity levels (< 20%) to limit corrosion of the cladding and fuel (exposed to the storage environment through assumed pre-existing pits in the cladding). Excessive degradation of fuels with uranium metal up to 200 C can be avoided if the fuel is sufficiently dried and contained in a sealed system; open storage can be achieved if the temperature is controlled to avoid excessive corrosion even in dry air.

  2. Process for anodizing aluminum foil

    International Nuclear Information System (INIS)

    Ball, J.A.; Scott, J.W.

    1984-01-01

    In an integrated process for the anodization of aluminum foil for electrolytic capacitors including the formation of a hydrous oxide layer on the foil prior to anodization and stabilization of the foil in alkaline borax baths during anodization, the foil is electrochemically anodized in an aqueous solution of boric acid and 2 to 50 ppm phosphate having a pH of 4.0 to 6.0. The anodization is interrupted for stabilization by passing the foil through a bath containing the borax solution having a pH of 8.5 to 9.5 and a temperature above 80 0 C. and then reanodizing the foil. The process is useful in anodizing foil to a voltage of up to 760 V

  3. Weakening of an aluminum grain boundary induced by sulfur segregation: A first-principles computational tensile test

    International Nuclear Information System (INIS)

    Zhang Ying; Lu Guanghong; Deng Shenghua; Wang Tianmin; Xu Huibin; Kohyama, Masanori; Yamamoto, Ryoichi

    2007-01-01

    We have performed a first-principles computational tensile test on an aluminum grain boundary (GB) with sulfur segregation. We show that the tensile strength is reduced by 18% (to 7.80 GPa) due to sulfur segregation in comparison with 9.50 GPa of the clean GB, and the GB fracture is caused by the interfacial bond breaking. We demonstrate the peculiar behavior of a sulfur-aluminum atom cluster at the interface during the tensile test, which originates from the intrinsic bonding characteristic of sulfur. Such cluster forms a one-dimensional chain structure that is similar to that in the bulk S, and remains unchanged in the tensile process until the fracture occurs but significantly changes the GB structure. This is responsible for the observed fact that the segregated sulfur atom bonds strongly with only a few of its neighboring aluminum atoms, leading to weaker interfacial aluminum-sulfur bonds. We suggest that the experimentally observed aluminum intergranular embrittlement is induced by the GB weakening due to sulfur segregation

  4. Superhydrophobic coating deposited directly on aluminum

    International Nuclear Information System (INIS)

    Escobar, Ana M.; Llorca-Isern, Nuria

    2014-01-01

    This study develops an alternative method for enhancing superhydrophobicity on aluminum surfaces with an amphiphilic reagent such as the dodecanoic acid. The goal is to induce superhydrophobicity directly through a simple process on pure (99.9 wt%) commercial aluminum. The initial surface activation leading to the formation of the superhydrophobic coating is studied using confocal microscopy. Superhydrophobic behavior is analyzed by contact angle measurements, scanning electron microscopy (SEM) and atomic force microscopy (AFM). The highest contact angle (approaching 153°) was obtained after forming hierarchical structures with a particular roughness obtained by grinding and polishing microgrooves on the aluminum surface together with the simultaneous action of HCl and dodecanoic acid. The results also showed that after immersion in the ethanol-acidic-fatty acid solutions, they reacted chemically through the action of the fatty acid, on the aluminum surface. The mechanism is analyzed by TOF-SIMS and XPS in order to determine the molecules involved in the reaction. The TOF-SIMS analysis revealed that the metal and its oxides seem to be necessary, and that free-aluminum is anchored to the fatty acid molecules and to the alumina molecules present in the medium. Consequently, both metallic aluminum and aluminum oxides are necessary in order to form the compound responsible for superhydrophobicity.

  5. Lead exposure from aluminum cookware in Cameroon

    Energy Technology Data Exchange (ETDEWEB)

    Weidenhamer, Jeffrey D.; Kobunski, Peter A. [Department of Chemistry, Geology and Physics, 401 College Ave., Ashland University, Ashland, OH 44805 (United States); Kuepouo, Gilbert [Research and Education Centre for Development (CREPD), Yaounde (Cameroon); Corbin, Rebecca W. [Department of Chemistry, Geology and Physics, 401 College Ave., Ashland University, Ashland, OH 44805 (United States); Gottesfeld, Perry, E-mail: pgottesfeld@okinternational.org [Occupational Knowledge International, San Francisco, CA (United States)

    2014-10-15

    Blood lead levels have decreased following the removal of lead from gasoline in most of the world. However, numerous recent studies provide evidence that elevated blood lead levels persist in many low and middle-income countries around the world at much higher prevalence than in the more developed countries. One potential source of lead exposure that has not been widely investigated is the leaching of lead from artisanal aluminum cookware, which is commonly used in the developing world. Twenty-nine samples of aluminum cookware and utensils manufactured by local artisans in Cameroon were collected and analyzed for their potential to release lead during cooking. Source materials for this cookware included scrap metal such as engine parts, radiators, cans, and construction materials. The lead content of this cookware is relatively low (< 1000 ppm by X-ray fluorescence), however significant amounts of lead, as well as aluminum and cadmium were released from many of the samples using dilute acetic acid extractions at boiling and ambient temperatures. Potential exposures to lead per serving were estimated to be as high as 260 μg, indicating that such cookware can pose a serious health hazard. We conclude that lead, aluminum and cadmium can migrate from this aluminum cookware during cooking and enter food at levels exceeding recommended public health guidelines. Our results support the need to regulate lead content of materials used to manufacture these pots. Artisanal aluminum cookware may be a major contributor to lead poisoning throughout the developing world. Testing of aluminum cookware in other developing countries is warranted. - Highlights: • Cookware is manufactured in Cameroon from scrap aluminum including car parts. • Twenty-nine cookware samples were evaluated for their potential to leach lead. • Boiling extractions to simulate the effects of cooking released significant lead. • Potential lead exposures per serving are estimated as high as 260 μg.

  6. Decontamination and reuse of ORGDP aluminum scrap

    International Nuclear Information System (INIS)

    Compere, A.L.; Griffith, W.L.; Hayden, H.W.; Wilson, D.F.

    1996-12-01

    The Gaseous Diffusion Plants, or GDPs, have significant amounts of a number of metals, including nickel, aluminum, copper, and steel. Aluminum was used extensively throughout the GDPs because of its excellent strength to weight ratios and good resistance to corrosion by UF 6 . This report is concerned with the recycle of aluminum stator and rotor blades from axial compressors. Most of the stator and rotor blades were made from 214-X aluminum casting alloy. Used compressor blades were contaminated with uranium both as a result of surface contamination and as an accumulation held in surface-connected voids inside of the blades. A variety of GDP studies were performed to evaluate the amounts of uranium retained in the blades; the volume, area, and location of voids in the blades; and connections between surface defects and voids. Based on experimental data on deposition, uranium content of the blades is 0.3%, or roughly 200 times the value expected from blade surface area. However, this value does correlate with estimated internal surface area and with lengthy deposition times. Based on a literature search, it appears that gaseous decontamination or melt refining using fluxes specific for uranium removal have the potential for removing internal contamination from aluminum blades. A melt refining process was used to recycle blades during the 1950s and 1960s. The process removed roughly one-third of the uranium from the blades. Blade cast from recycled aluminum appeared to perform as well as blades from virgin material. New melt refining and gaseous decontamination processes have been shown to provide substantially better decontamination of pure aluminum. If these techniques can be successfully adapted to treat aluminum 214-X alloy, internal and, possibly, external reuse of aluminum alloys may be possible

  7. Lead exposure from aluminum cookware in Cameroon

    International Nuclear Information System (INIS)

    Weidenhamer, Jeffrey D.; Kobunski, Peter A.; Kuepouo, Gilbert; Corbin, Rebecca W.; Gottesfeld, Perry

    2014-01-01

    Blood lead levels have decreased following the removal of lead from gasoline in most of the world. However, numerous recent studies provide evidence that elevated blood lead levels persist in many low and middle-income countries around the world at much higher prevalence than in the more developed countries. One potential source of lead exposure that has not been widely investigated is the leaching of lead from artisanal aluminum cookware, which is commonly used in the developing world. Twenty-nine samples of aluminum cookware and utensils manufactured by local artisans in Cameroon were collected and analyzed for their potential to release lead during cooking. Source materials for this cookware included scrap metal such as engine parts, radiators, cans, and construction materials. The lead content of this cookware is relatively low (< 1000 ppm by X-ray fluorescence), however significant amounts of lead, as well as aluminum and cadmium were released from many of the samples using dilute acetic acid extractions at boiling and ambient temperatures. Potential exposures to lead per serving were estimated to be as high as 260 μg, indicating that such cookware can pose a serious health hazard. We conclude that lead, aluminum and cadmium can migrate from this aluminum cookware during cooking and enter food at levels exceeding recommended public health guidelines. Our results support the need to regulate lead content of materials used to manufacture these pots. Artisanal aluminum cookware may be a major contributor to lead poisoning throughout the developing world. Testing of aluminum cookware in other developing countries is warranted. - Highlights: • Cookware is manufactured in Cameroon from scrap aluminum including car parts. • Twenty-nine cookware samples were evaluated for their potential to leach lead. • Boiling extractions to simulate the effects of cooking released significant lead. • Potential lead exposures per serving are estimated as high as 260 μg.

  8. Theoretical study of one-electron bonds in a series of high-spin lithium-beryllium-hydrogen clusters: ?Valence shell single-electron repulsion? rule and electron localization function analysis

    Science.gov (United States)

    Chaquin, Patrick; Chevreau, Hilaire

    A series of high-spin clusters containing Li, H, and Be in which the valence shell molecular orbitals (MOs) are occupied by a single electron has been characterized using ab initio and density functional theory (DFT) calculations. A first type (5Li2, n+1LiHn+ (n = 2-5), 8Li2H6+) possesses only one electron pair in the lowest MO, with bond energies of ?3 kcal/mol. In a second type, all the MOs are singly occupied, which results in highly excited species that nevertheless constitute a marked minimum on their potential energy surface (PES). Thus, it is possible to design a larger panel of structures (8LiBe, 7Li2, 8Li2-, 4LiH+, 6BeH2+, n+3LiHn+ (n = 3, 4), n+2LiHn2+ (n = 4-6), 8Li2H2+, 9Li2H42+, 22Li3Be3 and 22Li6H63+), single-electron equivalent to doublet ?classical? molecules ranging from CO to C6H6. The geometrical structure is studied in relation to the valence shell single-electron repulsion (VSEPR) theory and the electron localization function (ELF) is analyzed, revealing a striking similarity with the corresponding structure having paired electrons.

  9. Heavy hitters via cluster-preserving clustering

    DEFF Research Database (Denmark)

    Larsen, Kasper Green; Nelson, Jelani; Nguyen, Huy L.

    2016-01-01

    , providing correctness whp. In fact, a simpler version of our algorithm for p = 1 in the strict turnstile model answers queries even faster than the "dyadic trick" by roughly a log n factor, dominating it in all regards. Our main innovation is an efficient reduction from the heavy hitters to a clustering...... problem in which each heavy hitter is encoded as some form of noisy spectral cluster in a much bigger graph, and the goal is to identify every cluster. Since every heavy hitter must be found, correctness requires that every cluster be found. We thus need a "cluster-preserving clustering" algorithm......, that partitions the graph into clusters with the promise of not destroying any original cluster. To do this we first apply standard spectral graph partitioning, and then we use some novel combinatorial techniques to modify the cuts obtained so as to make sure that the original clusters are sufficiently preserved...

  10. Spray Rolling Aluminum Strip for Transportation Applications

    Energy Technology Data Exchange (ETDEWEB)

    Kevin M. McHugh; Y. Lin; Y. Zhou; E. J. Lavernia; J.-P. Delplanque; S. B. Johnson

    2005-02-01

    Spray rolling is a novel strip casting technology in which molten aluminum alloy is atomized and deposited into the roll gap of mill rolls to produce aluminum strip. A combined experimental/modeling approach has been followed in developing this technology with active participation from industry. The feasibility of this technology has been demonstrated at the laboratory scale and it is currently being scaled-up. This paper provides an overview of the process and compares the microstructure and properties of spray-rolled 2124 aluminum alloy with commercial ingot-processed material

  11. Aluminum Hydride Catalyzed Hydroboration of Alkynes.

    Science.gov (United States)

    Bismuto, Alessandro; Thomas, Stephen P; Cowley, Michael J

    2016-12-05

    An aluminum-catalyzed hydroboration of alkynes using either the commercially available aluminum hydride DIBAL-H or bench-stable Et 3 Al⋅DABCO as the catalyst and H-Bpin as both the boron reagent and stoichiometric hydride source has been developed. Mechanistic studies revealed a unique mode of reactivity in which the reaction is proposed to proceed through hydroalumination and σ-bond metathesis between the resultant alkenyl aluminum species and HBpin, which acts to drive turnover of the catalytic cycle. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Fatigue analysis of aluminum drill pipes

    Directory of Open Access Journals (Sweden)

    João Carlos Ribeiro Plácido

    2005-12-01

    Full Text Available An experimental program was performed to investigate the fundamental fatigue mechanisms of aluminum drill pipes. Initially, the fatigue properties were determined through small-scale tests performed in an optic-mechanical fatigue apparatus. Additionally, full-scale fatigue tests were carried out with three aluminum drill pipe specimens under combined loading of cyclic bending and constant axial tension. Finally, a finite element model was developed to simulate the stress field along the aluminum drill pipe during the fatigue tests and to estimate the stress concentration factors inside the tool joints. By this way, it was possible to estimate the stress values in regions not monitored during the fatigue tests.

  13. HRR Field in an Aluminum SEN Specimen.

    Science.gov (United States)

    1989-04-01

    edge notched, 2024-T3, 2024-0, and 5052 -H32 aluminum alloy specimens subjected to uniaxial and biaxial loadings [4,5,6]. One of the objectives of this...Contract N00014-89-J-1276 Technical Report No. UWA/DME/TR-89/63 00 HRR FIELD IN AN ALUMINUM SEN SPECIMENrkft Ln1 0 by M.S. Dadkhah and A.S. Kobayashi...Washington ~ dY~LI3OI k t*a U1PA09Q111 89 02Ieja II A I 6 I HRR FIELD IN AN ALUMINUM SEN SPECIMEN Mahyar Dadkhah ° and Albert S. Kobayashi** ABSTRACT Moire

  14. Why hydrogen; Pourquoi l'hydrogene?

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2004-02-01

    The energy consumption increase and the associated environmental risks, led to develop new energy sources. The authors present the potentialities of the hydrogen in this context of energy supply safety. They detail the today market and the perspectives, the energy sources for the hydrogen production (fossils, nuclear and renewable), the hydrogen transport, storage, distribution and conversion, the application domains, the associated risks. (A.L.B.)

  15. Applications of pattern recognition in aluminum alloy texture characterization

    Science.gov (United States)

    Liu, Guizhong; Rehbein, D. K.; Foley, James C.; Thompson, R. B.

    2000-05-01

    This paper presents a methodology to extract texture information in Aluminum alloys using pattern recognition algorithm. The orientation of the samples can be obtained by the orientation Image Microscope (OIM) technique. The ISO DATA pattern recognition algorithm is implemented to classify the OIM data into different clusters. Based on the classification results, the probability density function (pdf) is estimated. Then, the pdf is expanded as a series of Legendre functions with coefficients, i.e., the orientation distribution coefficients (ODC) as texture parameters. Three of these ODC's are of special interests, namely W400, W420, and W440. This paper includes results from ultrasonic NDE and this novel algorithm.—Ames Laboratory is operated for U.S. Department of Energy by Iowa State University under Contract W-7405-ENG-82. This work was supported by the Office of Basic Energy Sciences as a part of the Center of Excellence of the Synthesis and Processing of Advanced Materials.

  16. 46 CFR 154.195 - Aluminum cargo tank: Steel enclosure.

    Science.gov (United States)

    2010-10-01

    ... 46 Shipping 5 2010-10-01 2010-10-01 false Aluminum cargo tank: Steel enclosure. 154.195 Section... Equipment Hull Structure § 154.195 Aluminum cargo tank: Steel enclosure. (a) An aluminum cargo tank and its... the aluminum cargo tank must meet the steel structural standards of the American Bureau of Shipping...

  17. 49 CFR 229.51 - Aluminum main reservoirs.

    Science.gov (United States)

    2010-10-01

    ... 49 Transportation 4 2010-10-01 2010-10-01 false Aluminum main reservoirs. 229.51 Section 229.51... Aluminum main reservoirs. (a) Aluminum main reservoirs used on locomotives shall be designed and fabricated as follows: (1) The heads and shell shall be made of Aluminum Association Alloy No. 5083-0, produced...

  18. 49 CFR 178.505 - Standards for aluminum drums.

    Science.gov (United States)

    2010-10-01

    ... 49 Transportation 2 2010-10-01 2010-10-01 false Standards for aluminum drums. 178.505 Section 178... PACKAGINGS Non-bulk Performance-Oriented Packaging Standards § 178.505 Standards for aluminum drums. (a) The following are the identification codes for aluminum drums: (1) 1B1 for a non-removable head aluminum drum...

  19. Formulation and method for preparing gels comprising hydrous aluminum oxide

    Science.gov (United States)

    Collins, Jack L.

    2014-06-17

    Formulations useful for preparing hydrous aluminum oxide gels contain a metal salt including aluminum, an organic base, and a complexing agent. Methods for preparing gels containing hydrous aluminum oxide include heating a formulation to a temperature sufficient to induce gel formation, where the formulation contains a metal salt including aluminum, an organic base, and a complexing agent.

  20. Hydrogen fuel. Uses

    International Nuclear Information System (INIS)

    Darkrim-Lamari, F.; Malbrunot, P.

    2006-01-01

    Hydrogen is a very energetic fuel which can be used in combustion to generate heat and mechanical energy or which can be used to generate electricity and heat through an electrochemical reaction with oxygen. This article deals with the energy conversion, the availability and safety problems linked with the use of hydrogen, and with the socio-economical consequences of a generalized use of hydrogen: 1 - hydrogen energy conversion: hydrogen engines, aerospace applications, fuel cells (principle, different types, domains of application); 2 - hydrogen energy availability: transport and storage (gas pipelines, liquid hydrogen, adsorbed and absorbed hydrogen in solid materials), service stations; 3 - hazards and safety: flammability, explosibility, storage and transport safety, standards and regulations; 4 - hydrogen economy; 5 - conclusion. (J.S.)

  1. A simple aluminum gasket for use with both stainless steel and aluminum flanges

    Energy Technology Data Exchange (ETDEWEB)

    Langley, R.A.

    1991-01-01

    A technique has been developed for making aluminum wire seal gaskets of various sizes and shapes for use with both stainless steel and aluminum alloy flanges. The gasket material used is 0.9999 pure aluminum, drawn to a diameter of 3 mm. This material can be easily welded and formed into various shapes. A single gasket has been successfully used up to five times without baking. The largest gasket tested to date is 3.5 m long and was used in the shape of a parallelogram. Previous use of aluminum wire gaskets, including results for bakeout at temperatures from 20 to 660{degree}C, is reviewed. A search of the literature indicates that this is the first reported use of aluminum wire gaskets for aluminum alloy flanges. The technique is described in detail, and the results are summarized. 11 refs., 4 figs.

  2. A simple aluminum gasket for use with both stainless steel and aluminum flanges

    International Nuclear Information System (INIS)

    Langley, R.A.

    1991-01-01

    A technique has been developed for making aluminum wire seal gaskets of various sizes and shapes for use with both stainless steel and aluminum alloy flanges. The gasket material used is 0.9999 pure aluminum, drawn to a diameter of 3 mm. This material can be easily welded and formed into various shapes. A single gasket has been successfully used up to five times without baking. The largest gasket tested to date is 3.5 m long and was used in the shape of a parallelogram. Previous use of aluminum wire gaskets, including results for bakeout at temperatures from 20 to 660 degree C, is reviewed. A search of the literature indicates that this is the first reported use of aluminum wire gaskets for aluminum alloy flanges. The technique is described in detail, and the results are summarized. 11 refs., 4 figs

  3. Simulation of silicon nanoparticles stabilized by hydrogen at high temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Galashev, Alexander Y., E-mail: galashev@ecko.uran.r [Russian Academy of Sciences, Ural Division, Institute of Industrial Ecology (Russian Federation)

    2010-10-15

    The stability of different silicon nanoparticles are investigated at a high temperature. The temperature dependence of the physicochemical properties of 60- and 73-atom silicon nanoparticles are investigated using the molecular dynamics method. The 73-atom particles have a crystal structure, a random atomic packing, and a packing formed by inserting a 13-atom icosahedron into a 60-atom fullerene. They are surrounded by a 'coat' from 60 atoms of hydrogen. The nanoassembled particle at the presence of a hydrogen 'coat' has the most stable number (close to four) of Si-Si bonds per atom. The structure and kinetic properties of a hollow single-layer fullerene-structured Si{sub 60} cluster are considered in the temperature range 10 K {<=} T {<=} 1760 K. Five series of calculations are conducted, with a simulation of several media inside and outside the Si{sub 60} cluster, specifically, the vacuum and interior spaces filled with 30 and 60 hydrogen atoms with and without the exterior hydrogen environment of 60 atoms. Fullerene surrounded by a hydrogen 'coat' and containing 60 hydrogen atoms in the interior space has a higher stability. Such cluster has smaller self-diffusion coefficients at high temperatures. The fullerene stabilized with hydrogen is stable to the formation of linear atomic chains up to the temperatures 270-280 K.

  4. Cryogenic hydrogen-induced air-liquefaction technologies

    Science.gov (United States)

    Escher, William J. D.

    1990-01-01

    Extensive use of a special advanced airbreathing propulsion archives data base, as well as direct contacts with individuals who were active in the field in previous years, a technical assessment of cryogenic hydrogen induced air liquefaction, as a prospective onboard aerospace vehicle process, was performed and documented in 1986. The resulting assessment report is summarized. Technical findings relating the status of air liquefaction technology are presented both as a singular technical area, and also as that of a cluster of collateral technical areas including: Compact lightweight cryogenic heat exchangers; Heat exchanger atmospheric constituents fouling alleviation; Para/ortho hydrogen shift conversion catalysts; Hydrogen turbine expanders, cryogenic air compressors and liquid air pumps; Hydrogen recycling using slush hydrogen as heat sinks; Liquid hydrogen/liquid air rocket type combustion devices; Air Collection and Enrichment System (ACES); and Technically related engine concepts.

  5. Classification of wrought aluminum alloys by Artificial Neural Networks evaluation of Laser Induced Breakdown Spectroscopy spectra from aluminum scrap samples

    Science.gov (United States)

    Campanella, B.; Grifoni, E.; Legnaioli, S.; Lorenzetti, G.; Pagnotta, S.; Sorrentino, F.; Palleschi, V.

    2017-08-01

    Every year throughout the world > 50 million vehicles reach the end of their life, producing millions of tons of automotive waste. The current strategies for the separation of the non-ferrous waste fraction, contain mainly aluminum, magnesium, zinc and copper alloys, involve high investment and operational costs, and pose environmental concerns. The European project SHREDDERSORT, in which our research group was actively involved, aimed to overcome this issue by developing a new dry sorting technology for the shredding of non-ferrous automotive wastes. This work represents one step of the complex SHREDDERSORT project, dedicated to the development of a strategy based on Laser Induced Breakdown Spectroscopy (LIBS) for the sorting of light alloys. LIBS was here applied in laboratory for the analysis of stationary aluminum shredder samples. To process the LIBS spectra a methodological approach based on artificial neural networks was used. Although separation could in principle be based on simple emission line ratios, the neural networks approach enables more reproducible results, which can accommodate the unavoidable signal variations due to the low intrinsic reproducibility of the LIBS systems. The neural network separated samples into different clusters and estimates their elemental concentrations.

  6. Theoretical analysis of hydrogen spillover mechanism on carbon nanotubes

    Directory of Open Access Journals (Sweden)

    Rosalba eJuarez Mosqueda

    2015-02-01

    Full Text Available The spillover mechanism of molecular hydrogen on carbon nanotubes in the presence of catalytically active platinum clusters was critically and systematically investigated by using density-functional theory. Our simulation model includes a Pt4 cluster for the catalyst nanoparticle and curved and planar circumcoronene for two exemplary single-walled carbon nanotubes (CNT, the (10,10 CNT and one of large diameter, respectively. Our results show that the H2 molecule dissociates spontaneously on the Pt4 cluster. However, the dissociated H atoms have to overcome a barrier of more than 2 eV to migrate from the catalyst to the CNT, even if the Pt4 cluster is at full saturation with six adsorbed and dissociated hydrogen molecules. Previous investigations have shown that the mobility of hydrogen atoms on the CNT surface is hindered by a barrier. We find that instead the Pt4 catalyst may move along the outer surface of the CNT with activation energy of only 0.16 eV, and that this effect offers the possibility of full hydrogenation of the CNT. Thus, although we have not found a low-energy pathway to spillover onto the CNT, we suggest, based on our calculations and calculated data reported in the literature, that in the hydrogen-spillover process the observed saturation of the CNT at hydrogen background pressure occurs through mobile Pt nanoclusters, which move on the substrate more easily than the substrate-chemisorbed hydrogens, and deposit or reattach hydrogens in the process. Initial hydrogenation of the carbon substrate, however, is thermodynamically unfavoured, suggesting that defects should play a significant role.

  7. Advances in molecular vibrations and collision dynamics molecular clusters

    CERN Document Server

    Bacic, Zatko

    1998-01-01

    This volume focuses on molecular clusters, bound by van der Waals interactions and hydrogen bonds. Twelve chapters review a wide range of recent theoretical and experimental advances in the areas of cluster vibrations, spectroscopy, and reaction dynamics. The authors are leading experts, who have made significant contributions to these topics.The first chapter describes exciting results and new insights in the solvent effects on the short-time photo fragmentation dynamics of small molecules, obtained by combining heteroclusters with femtosecond laser excitation. The second is on theoretical work on effects of single solvent (argon) atom on the photodissociation dynamics of the solute H2O molecule. The next two chapters cover experimental and theoretical aspects of the energetics and vibrations of small clusters. Chapter 5 describes diffusion quantum Monte Carlo calculations and non additive three-body potential terms in molecular clusters. The next six chapters deal with hydrogen-bonded clusters, refle...

  8. Modeling Thermal Changes at Municipal Solid Waste Landfills: A Case Study of the Co-Disposal of Secondary Aluminum Processing Waste

    Science.gov (United States)

    The reaction of secondary aluminum processing waste (referred herein to as salt cake) with water has been documented to produce heat and gases such as hydrogen, methane, and ammonia (US EPA 2015). The objective of this project was to assess the impact of salt cake disposal on MS...

  9. Oxidation of Inconel 625 superalloy upon treatment with oxygen or hydrogen plasma at high temperature

    Energy Technology Data Exchange (ETDEWEB)

    Vesel, Alenka; Drenik, Aleksander; Elersic, Kristina; Mozetic, Miran; Kovac, Janez [Jozef Stefan Institute, Jamova 39, SI-1000 Ljubljana (Slovenia); Gyergyek, Tomaz [University of Ljubljana, Faculty of Electrical Engineering, Trzaska 25, SI-1000 Ljubljana (Slovenia); Stockel, Jan; Varju, Jozef; Panek, Radomir [Institute of Plasma Physics, Academy of Sciences of the Czech Republic, Ze Slovankou 3, Praha 8 (Czech Republic); Balat-Pichelin, Marianne, E-mail: marianne.balat@promes.cnrs.fr [PROMES-CNRS Laboratory, 7 rue du four solaire, 66120 Font Romeu Odeillo (France)

    2014-06-01

    Initial stages of Inconel 625 superalloy (Ni{sub 60}Cr{sub 30}Mo{sub 10}Ni{sub 4}Nb{sub 1}) oxidation upon short treatment with gaseous plasma at different temperatures up to about 1600 K were studied. Samples were treated for different periods up to a minute by oxygen or hydrogen plasma created with a microwave discharge in the standing-wave mode at a pressure of 40 Pa and a power 500 W. Simultaneous heating of the samples was realized by focusing concentrated solar radiation from a 5 kW solar furnace directly onto the samples. The morphological changes upon treatment were monitored using scanning electron microscopy, compositional depth profiling was performed using Auger electron spectroscopy, while structural changes were determined by X-ray diffraction. The treatment in oxygen plasma caused formation of metal oxide clusters of three dimensional crystallites initially rich in nickel oxide with the increasing chromium oxide content as the temperature was increasing. At about 1100 K iron and niobium oxides prevailed on the surface causing a drop of the material emissivity at 5 μm. Simultaneously the NiCr{sub 2}O{sub 4} compound started growing at the interface between the oxide film and bulk alloy and the compound persisted up to temperatures close to the Inconel melting point. Intensive migration of minority alloying elements such as Fe and Ti was observed at 1600 K forming mixed surface oxides of sub-micrometer dimensions. The treatment in hydrogen plasma with small admixture of water vapor did not cause much modification unless the temperature was close to the melting point. At such conditions aluminum segregated on the surface and formed well-defined Al{sub 2}O{sub 3} crystals.

  10. Oxidation of Inconel 625 superalloy upon treatment with oxygen or hydrogen plasma at high temperature

    Science.gov (United States)

    Vesel, Alenka; Drenik, Aleksander; Elersic, Kristina; Mozetic, Miran; Kovac, Janez; Gyergyek, Tomaz; Stockel, Jan; Varju, Jozef; Panek, Radomir; Balat-Pichelin, Marianne

    2014-06-01

    Initial stages of Inconel 625 superalloy (Ni60Cr30Mo10Ni4Nb1) oxidation upon short treatment with gaseous plasma at different temperatures up to about 1600 K were studied. Samples were treated for different periods up to a minute by oxygen or hydrogen plasma created with a microwave discharge in the standing-wave mode at a pressure of 40 Pa and a power 500 W. Simultaneous heating of the samples was realized by focusing concentrated solar radiation from a 5 kW solar furnace directly onto the samples. The morphological changes upon treatment were monitored using scanning electron microscopy, compositional depth profiling was performed using Auger electron spectroscopy, while structural changes were determined by X-ray diffraction. The treatment in oxygen plasma caused formation of metal oxide clusters of three dimensional crystallites initially rich in nickel oxide with the increasing chromium oxide content as the temperature was increasing. At about 1100 K iron and niobium oxides prevailed on the surface causing a drop of the material emissivity at 5 μm. Simultaneously the NiCr2O4 compound started growing at the interface between the oxide film and bulk alloy and the compound persisted up to temperatures close to the Inconel melting point. Intensive migration of minority alloying elements such as Fe and Ti was observed at 1600 K forming mixed surface oxides of sub-micrometer dimensions. The treatment in hydrogen plasma with small admixture of water vapor did not cause much modification unless the temperature was close to the melting point. At such conditions aluminum segregated on the surface and formed well-defined Al2O3 crystals.

  11. Plasma-enhanced chemical-vapor deposition of titanium aluminum carbonitride/amorphous-carbon nanocomposite thin films

    Science.gov (United States)

    Shieh, Jiann; Hon, Min Hsiung

    2002-01-01

    A new nanocomposite, titanium aluminum carbonitride/amorphous-carbon thin film was prepared by radio-frequency (rf) plasma-enhanced chemical-vapor deposition using titanium tetrachloride, aluminum trichloride, methane, and nitrogen as reactants. Hydrogen was used as carrier gases. A substrate temperature of 500 °C and an rf power of 100 W were used in all depositions. The films were characterized by x-ray powder diffraction, Raman spectroscopy, x-ray photoelectron spectroscopy, transmission electron microscopy, and scanning electron microscopy. The results show that nanograins of titanium aluminum carbonitride were embedded in an amorphous-carbon matrix. The nanograins had a (200) preferred orientation with columnar cross-section morphology. Mechanical properties were analyzed by nanoindentation and hardness was demonstrated to increase via this microstructure design approach. The effects of microstructure on mechanical properties were also determined.

  12. Plasma-enhanced chemical-vapor deposition of titanium aluminum carbonitride/amorphous-carbon nanocomposite thin films

    International Nuclear Information System (INIS)

    Shieh Jiann; Hon, M.H.

    2002-01-01

    A new nanocomposite, titanium aluminum carbonitride/amorphous-carbon thin film was prepared by radio-frequency (rf) plasma-enhanced chemical-vapor deposition using titanium tetrachloride, aluminum trichloride, methane, and nitrogen as reactants. Hydrogen was used as carrier gases. A substrate temperature of 500 deg. C and an rf power of 100 W were used in all depositions. The films were characterized by x-ray powder diffraction, Raman spectroscopy, x-ray photoelectron spectroscopy, transmission electron microscopy, and scanning electron microscopy. The results show that nanograins of titanium aluminum carbonitride were embedded in an amorphous-carbon matrix. The nanograins had a (200) preferred orientation with columnar cross-section morphology. Mechanical properties were analyzed by nanoindentation and hardness was demonstrated to increase via this microstructure design approach. The effects of microstructure on mechanical properties were also determined

  13. Determination of the Relative Atomic Masses of Metals by Liberation of Molecular Hydrogen

    Science.gov (United States)

    Waghorne, W. Earle; Rous, Andrew J.

    2009-01-01

    Students determine the relative atomic masses of calcium, magnesium, and aluminum by reaction with hydrochloric acid and measurement of the volume of hydrogen gas liberated. The experiment demonstrates stoichiometry and illustrates clearly that mass of the reagent is not the determinant of the amounts in chemical reactions. The experiment is…

  14. Concentration of Hydrogen Peroxide

    Science.gov (United States)

    Parrish, Clyde F. (Inventor)

    2006-01-01

    Methods for concentrating hydrogen peroxide solutions have been described. The methods utilize a polymeric membrane separating a hydrogen peroxide solution from a sweep gas or permeate. The membrane is selective to the permeability of water over the permeability of hydrogen peroxide, thereby facilitating the concentration of the hydrogen peroxide solution through the transport of water through the membrane to the permeate. By utilizing methods in accordance with the invention, hydrogen peroxide solutions of up to 85% by volume or higher may be generated at a point of use without storing substantial quantities of the highly concentrated solutions and without requiring temperatures that would produce explosive mixtures of hydrogen peroxide vapors.

  15. Hydrogen, this hallucinogen

    International Nuclear Information System (INIS)

    Gay, Michel

    2013-01-01

    The author discusses the origin of hydrogen for energetic use (mainly by extraction from water), the possible uses of this cumbersome gas (in vehicles, in electricity storage), and outlines that hydrogen economy consumes a lot of other energies (nuclear, wind, sun, biomass, and so on) for a high cost, and that hydrogen is therefore not a solution for the future. Other elements are given in appendix: production methods and processes, figures of energy production, ways to use and to store hydrogen in vehicles, assessment of possibilities for a vehicle, techniques and figures for hydrogen packaging, transport and distribution, energy cost, energetic assessment of hydrogen production, problems associated with distribution (tank filling)

  16. Hydrogen in semiconductors

    CERN Document Server

    Pankove, Jacques I

    1991-01-01

    Hydrogen plays an important role in silicon technology, having a profound effect on a wide range of properties. Thus, the study of hydrogen in semiconductors has received much attention from an interdisciplinary assortment of researchers. This sixteen-chapter volume provides a comprehensive review of the field, including a discussion of hydrogenation methods, the use of hydrogen to passivate defects, the use of hydrogen to neutralize deep levels, shallow acceptors and shallow donors in silicon, vibrational spectroscopy, and hydrogen-induced defects in silicon. In addition to this detailed cove

  17. 40 CFR 63.5753 - How do I calculate the combined organic HAP content of aluminum wipedown solvents and aluminum...

    Science.gov (United States)

    2010-07-01

    ... HAP content of aluminum wipedown solvents and aluminum recreational boat surface coatings? 63.5753... Standards for Hazardous Air Pollutants for Boat Manufacturing Standards for Aluminum Recreational Boat Surface Coating Operations § 63.5753 How do I calculate the combined organic HAP content of aluminum...

  18. Aluminum recovery as a product with high added value using aluminum hazardous waste.

    Science.gov (United States)

    David, E; Kopac, J

    2013-10-15

    The samples of hazardous aluminum solid waste such as dross were physically and chemically characterized. A relationship between density, porosity and metal content of dross was established. The paper also examines the chemical reactions involving aluminum dross in landfill and the negative consequences. To avoid environmental problems and to recovery the aluminum, a processing method was developed and aluminum was recovered as an added value product such as alumina. This method refers to a process at low temperature, in more stages: acid leaching, purification, precipitation and calcination. At the end of this process aluminum was extracted, first as Al(3+) soluble ions and final as alumina product. The composition of the aluminum dross and alumina powder obtained were measured by applying the leaching tests, using atomic absorption spectrometry (AAS) and chemical analysis. The mineralogical composition of aluminum dross samples and alumina product were determined by X-ray diffraction (XRD) and the morphological characterization was performed by scanning electron microscopy (SEM). The method presented in this work allows the use of hazardous aluminum solid waste as raw material to recover an important fraction from soluble aluminum content as an added value product, alumina, with high grade purity (99.28%). Copyright © 2013 Elsevier B.V. All rights reserved.

  19. Hydrogen gas filling into an actual tank at high pressure and optimization of its thermal characteristics

    Science.gov (United States)

    Khan, Md. Tawhidul Islam; Monde, Masanori; Setoguchi, Toshiaki

    2009-09-01

    Gas with high pressure is widely used at present as fuel storage mode for different hydrogen vehicles. Different types of materials are used for constructing these hydrogen pressure vessels. An aluminum lined vessel and typically carbon fiber reinforced plastic (CFRP) materials are commercially used in hydrogen vessels. An aluminum lined vessel is easy to construct and posses high thermal conductivity compared to other commercially available vessels. However, compared to CFRP lined vessel, it has low strength capacity and safety factors. Therefore, nowadays, CFRP lined vessels are becoming more popular in hydrogen vehicles. Moreover, CFRP lined vessel has an advantage of light weight. CFRP, although, has many desirable properties in reducing the weight and in increasing the strength, it is also necessary to keep the material temperature below 85 °C for maintaining stringent safety requirements. While filling process occurs, the temperature can be exceeded due to the compression works of the gas flow. Therefore, it is very important to optimize the hydrogen filling system to avoid the crossing of the critical limit of the temperature rise. Computer-aided simulation has been conducted to characterize the hydrogen filling to optimize the technique. Three types of hydrogen vessels with different volumes have been analyzed for optimizing the charging characteristics of hydrogen to test vessels. Gas temperatures are measured inside representative vessels in the supply reservoirs (H2 storages) and at the inlet to the test tank during filling.

  20. Electrometallurgical treatment of aluminum-based fuels

    International Nuclear Information System (INIS)

    Willit, J. L.

    1998-01-01

    We have successfully demonstrated aluminum electrorefining from a U-Al-Si alloy that simulates spent aluminum-based reactor fuel. The aluminum product contains less than 200 ppm uranium. All the results obtained have been in agreement with predictions based on equilibrium thermodynamics. We have also demonstrated the need for adequate stirring to achieve a low-uranium product. Most of the other process steps have been demonstrated in other programs. These include uranium electrorefining, transuranic fission product scrubbing, fission product oxidation, and product consolidation by melting. Future work will focus on the extraction of active metal and rare earth fission products by a molten flux salt and scale-up of the aluminum electrorefining

  1. Aluminum titanate crucible for molten uranium

    International Nuclear Information System (INIS)

    Asbury, J.J.

    1975-01-01

    An improved crucible for molten uranium is described. The crucible or crucible liner is formed of aluminum titanate which essentially eliminates contamination of uranium and uranium alloys during molten states thereof. (U.S.)

  2. Dry lubricant films for aluminum forming.

    Energy Technology Data Exchange (ETDEWEB)

    Wei, J.; Erdemir, A.; Fenske, G. R.

    1999-03-30

    During metal forming process, lubricants are crucial to prevent direct contact, adhesion, transfer and scuffing of workpiece materials and tools. Boric acid films can be firmly adhered to the clean aluminum surfaces by spraying their methanol solutions and provide extremely low friction coefficient (about 0.04). The cohesion strengths of the bonded films vary with the types of aluminum alloys (6061, 6111 and 5754). The sheet metal forming tests indicate that boric acid films and the combined films of boric acid and mineral oil can create larger strains than the commercial liquid and solid lubricants, showing that they possess excellent lubricities for aluminum forming. SEM analyses indicate that boric acid dry films separate the workpiece and die materials, and prevent their direct contact and preserve their surface qualities. Since boric acid is non-toxic and easily removed by water, it can be expected that boric acid films are environmentally friendly, cost effective and very efficient lubricants for sheet aluminum cold forming.

  3. Seacoast stress corrosion cracking of aluminum alloys

    Science.gov (United States)

    Humphries, T. S.; Nelson, E. E.

    1981-01-01

    The stress corrosion cracking resistance of high strength, wrought aluminum alloys in a seacoast atmosphere was investigated and the results were compared with those obtained in laboratory tests. Round tensile specimens taken from the short transverse grain direction of aluminum plate and stressed up to 100 percent of their yield strengths were exposed to the seacoast and to alternate immersion in salt water and synthetic seawater. Maximum exposure periods of one year at the seacoast, 0.3 or 0.7 of a month for alternate immersion in salt water, and three months for synthetic seawater were indicated for aluminum alloys to avoid false indications of stress corrosion cracking failure resulting from pitting. Correlation of the results was very good among the three test media using the selected exposure periods. It is concluded that either of the laboratory test media is suitable for evaluating the stress corrosion cracking performance of aluminum alloys in seacoast atmosphere.

  4. Interpretation of aluminum-alloy weld radiography

    Science.gov (United States)

    Duren, P. C.; Risch, E. R.

    1971-01-01

    Report proposes radiographic terminology standardization which allows scientific interpretation of radiographic films to replace dependence on individual judgement and experience. Report includes over 50 photographic pages where radiographs of aluminum welds with defects are compared with prepared weld sections photomacrographs.

  5. Pitting corrosion of 5052 aluminum alloy

    Science.gov (United States)

    Lockwood, F.; Lee, S.; Faunce, J.; Green, J. A. S.; Ptashnick, W. J.

    1985-01-01

    The relative degree of pitting of 5052 aluminum alloy in a prepaint cleaning process is correlated with the proportion of MgO in the surface oxide of the alloy. Magnesium oxide, formed on the surface during process heat treatments of the alloy, is soluble in the acidic environment of the particular cleaning solutions, thus allowing easier access of corrosive ion to the aluminum metal. The pitting mechanism involves the: (1) formation of microscopic, localized galvanic cells between aluminum (anode) and iron-containing constituents (cathodic sites) normally found in the matrix of 5052 (and other 5xxx aluminum alloys), (2) aggravation of pit formation by chloride, and (3) enhancement of cathodic reactions and hence the overall corrosion process due to penetration of the oxide layer by cupric and ferric ions, and dissolved O 2 present in the cleaning solutions. Pitting was eliminated by adding 0.1% NaNO 3 to the cleaning bath.

  6. Brightest Cluster Galaxies in REXCESS Clusters

    Science.gov (United States)

    Haarsma, Deborah B.; Leisman, L.; Bruch, S.; Donahue, M.

    2009-01-01

    Most galaxy clusters contain a Brightest Cluster Galaxy (BCG) which is larger than the other cluster ellipticals and has a more extended profile. In the hierarchical model, the BCG forms through many galaxy mergers in the crowded center of the cluster, and thus its properties give insight into the assembly of the cluster as a whole. In this project, we are working with the Representative XMM-Newton Cluster Structure Survey (REXCESS) team (Boehringer et al 2007) to study BCGs in 33 X-ray luminous galaxy clusters, 0.055 < z < 0.183. We are imaging the BCGs in R band at the Southern Observatory for Astrophysical Research (SOAR) in Chile. In this poster, we discuss our methods and give preliminary measurements of the BCG magnitudes, morphology, and stellar mass. We compare these BCG properties with the properties of their host clusters, particularly of the X-ray emitting gas.

  7. Rinne revisited: steel versus aluminum tuning forks.

    Science.gov (United States)

    MacKechnie, Cheryl A; Greenberg, Jesse J; Gerkin, Richard C; McCall, Andrew A; Hirsch, Barry E; Durrant, John D; Raz, Yael

    2013-12-01

    (1) Determine whether tuning fork material (aluminum vs stainless steel) affects Rinne testing in the clinical assessment of conductive hearing loss (CHL). (2) Determine the relative acoustic and mechanical outputs of 512-Hz tuning forks made of aluminum and stainless steel. Prospective, observational. Outpatient otology clinic. Fifty subjects presenting May 2011 to May 2012 with negative or equivocal Rinne in at least 1 ear and same-day audiometry. Rinne test results using aluminum and steel forks were compared and correlated with the audiometric air-bone gap. Bench top measurements using sound-level meter, microphone, and artificial mastoid. Patients with CHL were more likely to produce a negative Rinne test with a steel fork than with an aluminum fork. Logistic regression revealed that the probability of a negative Rinne reached 50% at a 19 dB air-bone gap for stainless steel versus 27 dB with aluminum. Bench top testing revealed that steel forks demonstrate, in effect, more comparable air and bone conduction efficiencies while aluminum forks have relatively lower bone conduction efficiency. We have found that steel tuning forks can detect a lesser air-bone gap compared to aluminum tuning forks. This is substantiated by observations of clear differences in the relative acoustic versus mechanical outputs of steel and aluminum forks, reflecting underlying inevitable differences in acoustic versus mechanical impedances of these devices, and thus efficiency of coupling sound/vibratory energy to the auditory system. These findings have clinical implications for using tuning forks to determine candidacy for stapes surgery.

  8. Intrinsic point defects in aluminum antimonide

    OpenAIRE

    Åberg, Daniel; Erhart, Paul; Williamson, Andrew J.; Lordi, Vincenzo

    2010-01-01

    Calculations within density functional theory on the basis of the local density approximation are carried out to study the properties of intrinsic point defects in aluminum antimonide. Special care is taken to address finite-size effects, band gap error, and symmetry reduction in the defect structures. The correction of the band gap is based on a set of GW calculations. The most important defects are identified to be the aluminum interstitial $Al_{i,Al}^{1+}$, the antimony antisites $Sb_{Al}^...

  9. Fast LIBS Identification of Aluminum Alloys

    Directory of Open Access Journals (Sweden)

    Tawfik W.

    2007-04-01

    Full Text Available Laser-induced breakdown spectroscopy (LIBS has been applied to analysis aluminum alloy targets. The plasma is generated by focusing a 300 mJ pulsed Nd: YAG laser on the target in air at atmospheric pressure. Such plasma emission spectrum was collected using a one-meter length wide band fused-silica optical fiber connected to a portable Echelle spectrometer with intensified CCD camera. Spectroscopic analysis of plasma evolution of laser produced plasmas has been characterized in terms of their spectra, electron density and electron temperature assuming the LTE and optically thin plasma conditions. The LIBS spectrum was optimized for high S/N ratio especially for trace elements. The electron temperature and density were determined using the emission intensity and stark broadening, respectively, of selected aluminum spectral lines. The values of these parameters were found to change with the aluminum alloy matrix, i.e. they could be used as a fingerprint character to distinguish between different aluminum alloy matrices using only one major element (aluminum without needing to analysis the rest of elements in the matrix. Moreover, It was found that the values of T(e and N(e decrease with increasing the trace elements concentrations in the aluminum alloy samples. The obtained results indicate that it is possible to improve the exploitation of LIBS in the remote on-line industrial monitoring application, by following up only the values of T(e and N(e for the aluminum in aluminum alloys using an optical fiber probe.

  10. Fast LIBS Identification of Aluminum Alloys

    Directory of Open Access Journals (Sweden)

    Tawfik W.

    2007-04-01

    Full Text Available Laser-induced breakdown spectroscopy (LIBS has been applied to analysis aluminum alloy targets. The plasma is generated by focusing a 300 mJ pulsed Nd: YAG laser on the target in air at atmospheric pressure. Such plasma emission spectrum was collected using a one-meter length wide band fused-silica optical fiber connected to a portable Echelle spectrometer with intensified CCD camera. Spectroscopic analysis of plasma evolution of laser produced plasmas has been characterized in terms of their spectra, electron density and electron temperature assuming the LTE and optically thin plasma conditions. The LIBS spectrum was optimized for high S/N ratio especially for trace elements. The electron temperature and density were determined using the emission intensity and stark broadening, respectively, of selected aluminum spectral lines. The values of these parameters were found to change with the aluminum alloy matrix, i.e. they could be used as a fingerprint character to distinguish between different aluminum alloy matrices using only one major element (aluminum without needing to analysis the rest of elements in the matrix. Moreover, It was found that the values of T e and N e decrease with increasing the trace elements concentrations in the aluminum alloy samples. The obtained results indicate that it is possible to improve the exploitation of LIBS in the remote on-line industrial monitoring application, by following up only the values of T e and N e for aluminum in aluminum alloys as a marker for the correct alloying using an optical fiber probe.

  11. Aluminum ion batteries: electrolytes and cathodes

    OpenAIRE

    Reed, Luke

    2015-01-01

    Great abundance, trivalent oxidation state, high volumetric energy density and inherent safety make aluminum a desirable source of power. Attempts to use aluminum as an electrochemical energy source have been made since the 1800s. To date no great success has been achieved due to difficulties with finding a suitable electrolyte and cathode material. This dissertation explains some of the author’s efforts to overcome these difficulties.Chapter two reports the results of an investigation of an ...

  12. Sound absorption property of openpore aluminum foams

    OpenAIRE

    WANG Fang; WANG Lu-cai; WU Jian-guo

    2007-01-01

    This paper presents a study on sound absorption property of aluminum foam by evaluating its sound absorption coefficients using standing wave tube method. Experimental results showed that the average values of sound absorption coefficients (over the test frequency range) are all above 0.4, which indicate very good sound absorption property of the aluminum foams. The sound absorption coefficient is affected by frequency and pore structure, and reaches its maximum value at around 1 000 Hz. With...

  13. Advanced powder metallurgy aluminum alloys and composites

    Science.gov (United States)

    Lisagor, W. B.; Stein, B. A.

    1982-01-01

    The differences between powder and ingot metallurgy processing of aluminum alloys are outlined. The potential payoff in the use of advanced powder metallurgy (PM) aluminum alloys in future transport aircraft is indicated. The national program to bring this technology to commercial fruition and the NASA Langley Research Center role in this program are briefly outlined. Some initial results of research in 2000-series PM alloys and composites that highlight the property improvements possible are given.

  14. Research of plating aluminum and aluminum foil on internal surface of carbon fiber composite material centrifuge rotor drum

    International Nuclear Information System (INIS)

    Lu Xiuqi; Dong Jinping; Dai Xingjian

    2014-01-01

    In order to improve the corrosion resistance, thermal conductivity and sealability of the internal surface of carbon fiber/epoxy composite material centrifuge rotor drum, magnetron sputtering aluminum and pasting an aluminum foil on the inner wall of the drum are adopted to realize the aim. By means of XRD, SEM/EDS and OM, the surface topography of aluminum coated (thickness of 5 μm and 12 μm) and aluminum foil (12 μm) are observed and analyzed; the cohesion of between aluminum coated (or aluminum foil) and substrate material (CFRP) is measured by scratching experiment, direct drawing experiment, and shear test. Besides, the ultra-high-speed rotation experiment of CFRP ring is carried out to analyze stress and strain of coated aluminum (or aluminum foil) which is adhered on the ring. The results showed aluminum foil pasted on inner surface do better performance than magnetron sputtering aluminum on CFRP centrifuge rotor drum. (authors)

  15. Exceptional Optoelectronic Properties of Hydrogenated Bilayer Silicene

    Directory of Open Access Journals (Sweden)

    Bing Huang

    2014-05-01

    Full Text Available Silicon is arguably the best electronic material, but it is not a good optoelectronic material. By employing first-principles calculations and the cluster-expansion approach, we discover that hydrogenated bilayer silicene (BS shows promising potential as a new kind of optoelectronic material. Most significantly, hydrogenation converts the intrinsic BS, a strongly indirect semiconductor, into a direct-gap semiconductor with a widely tunable band gap. At low hydrogen concentrations, four ground states of single- and double-sided hydrogenated BS are characterized by dipole-allowed direct (or quasidirect band gaps in the desirable range from 1 to 1.5 eV, suitable for solar applications. At high hydrogen concentrations, three well-ordered double-sided hydrogenated BS structures exhibit direct (or quasidirect band gaps in the color range of red, green, and blue, affording white light-emitting diodes. Our findings open opportunities to search for new silicon-based light-absorption and light-emitting materials for earth-abundant, high-efficiency, optoelectronic applications.

  16. Partitional clustering algorithms

    CERN Document Server

    2015-01-01

    This book summarizes the state-of-the-art in partitional clustering. Clustering, the unsupervised classification of patterns into groups, is one of the most important tasks in exploratory data analysis. Primary goals of clustering include gaining insight into, classifying, and compressing data. Clustering has a long and rich history that spans a variety of scientific disciplines including anthropology, biology, medicine, psychology, statistics, mathematics, engineering, and computer science. As a result, numerous clustering algorithms have been proposed since the early 1950s. Among these algorithms, partitional (nonhierarchical) ones have found many applications, especially in engineering and computer science. This book provides coverage of consensus clustering, constrained clustering, large scale and/or high dimensional clustering, cluster validity, cluster visualization, and applications of clustering. Examines clustering as it applies to large and/or high-dimensional data sets commonly encountered in reali...

  17. Studies of aluminum in rat brain

    International Nuclear Information System (INIS)

    Lipman, J.J.; Brill, A.B.; Som, P.; Jones, K.W.; Colowick, S.; Cholewa, M.

    1985-01-01

    The effects of high aluminum concentrations in rat brains were studied using 14 C autoradiography to measure the uptake of 14 C 2-deoxy-D-glucose ( 14 C-2DG) and microbeam proton-induced x-ray emission (microPIXE) with a 20-μm resolution to measure concentrations of magnesium, aluminum, potassium, and calcium. The aluminum was introduced intracisternally in the form of aluminum tartrate (Al-T) while control animals were given sodium tartrate (Na-T). The 14 C was administered intravenously. The animals receiving Al-T developed seizure disorders and had pathological changes that included cerebral cortical atrophy. The results showed that there was a decreased uptake of 14 C-2DG in cortical regions in which increased aluminum levels were measured, i.e., there is a correlation between the aluminum in the rat brain and decreased brain glucose metabolism. A minimum detection limit of about 16 ppM (mass fraction) or 3 x 10 9 Al atoms was obtained for Al under the conditions employed. 14 refs., 4 figs., 1 tab

  18. Aluminum neurotoxicity in the rat brain

    International Nuclear Information System (INIS)

    Yumoto, S.; Ohashi, H.; Nagai, H.; Kakimi, S.; Ogawa, Y.; Iwata, Y.; Ishii, K.

    1992-01-01

    To investigate the etiology of Alzheimer's disease, we administered aluminum to healthy rats and examined the aluminum uptake in the brain and isolated brain cell nuclei by particle-induced X-ray emission (PIXE) analysis. Ten days after the last injection, Al was detected in the rat brain and in isolated brain cell nuclei by PIXE analysis. Al was also demonstrated in the brain after 15 months of oral aluminum administration. Moreover, Al was detected in the brain and isolated brain cell nuclei from the patients with Alzheimer's disease. Silver impregnation studies revealed that spines attached to the dendritic processes of cortical nerve cells decreased remarkably after aluminum administration. Electron microscopy revealed characteristic inclusion bodies in the hippocampal nerve cells 75 days after the injection. These morphological changes in the rat brain after the aluminum administration were similar to those reportedly observed in the brain of Alzheimer's disease patients. Our results indicate that Alzheimer's disease is caused by irreversible accumulation of aluminum in the brain, as well as in the nuclei of brain cells. (author)

  19. Orientation Dependent Directed Etching of Aluminum

    International Nuclear Information System (INIS)

    Lee, Dong Nyung; Seo, Jong Hyun

    2009-01-01

    The direct-current electroetching of high purity aluminum in hot aqueous-chloride solution produces a high density of micrometer-wide tunnels whose walls are made up of the |100| planes and penetrate aluminum in the directions at rates of micrometer per second. In the process of the alternating-current pitting of aluminum, cathodic polarization plays an important role in the nucleation and growth of the pits during the subsequent polarization. The direct-current tunnel etching and alternating-current etching of aluminum are basically related to the formation of poorly crystallized or amorphous passive films. If the passive film forms on the wall, a natural misfit exists between the film and the aluminum substrate, which in turn gives rise to stress in both the film and the substrate. Even though the amorphous films do not have directed properties, their stresses are influenced by the substrate orientation. the films on elastically soft substrate are likely to be less stressed and more stable than those on elastically hard substrate. The hardest and softest planes of aluminum are the |111| and |100| planes, respectively. Therefore, the films on the |111| substrates are most likely to be attacked, and those on the |100| substrates, are least likely to be attacked. For the tunnel etching, it follows that the tunnel walls tend to be made of four closely packed |111| planes in order to minimize the surface energy, which gives rise to the tunnel etching

  20. Plasma ARC keyhole welding of aluminum

    Science.gov (United States)

    Fostervoll, H.

    1993-02-01

    An increasing and more advanced use of aluminum as a construction material make higher demands to the effectiveness and quality in aluminum joining. Furthermore, if the advantages of aluminum shall be exploited in the best possible way, it is necessary to use the best processes available for the certain application. Today, the most widely used processes of aluminum welding are gas metal arc welding (GMAW) and gas tungsten arc welding (GTAW). Plasma arc welding (PAW) is another interesting process, which is rather newly adopted for aluminum welding. However, up to now the use is limited and most of the users are within the space industry in USA (NASA); also the new space industry in Europe has adopted the process. The reason for the great interest for PAW in the space industry is, according to NASA, higher weld quality and less repair costs, less heat distortion, and less groove preparations costs. Of these reasons, PAW should also be of interest for the aluminum industry in Scandinavia. The aim of the project is to focus on the possibilities and to some extent testing the PAW process.

  1. Studies of aluminum in rat brain

    Energy Technology Data Exchange (ETDEWEB)

    Lipman, J.J.; Brill, A.B.; Som, P.; Jones, K.W.; Colowick, S.; Cholewa, M.

    1985-01-01

    The effects of high aluminum concentrations in rat brains were studied using /sup 14/C autoradiography to measure the uptake of /sup 14/C 2-deoxy-D-glucose (/sup 14/C-2DG) and microbeam proton-induced x-ray emission (microPIXE) with a 20-..mu..m resolution to measure concentrations of magnesium, aluminum, potassium, and calcium. The aluminum was introduced intracisternally in the form of aluminum tartrate (Al-T) while control animals were given sodium tartrate (Na-T). The /sup 14/C was administered intravenously. The animals receiving Al-T developed seizure disorders and had pathological changes that included cerebral cortical atrophy. The results showed that there was a decreased uptake of /sup 14/C-2DG in cortical regions in which increased aluminum levels were measured, i.e., there is a correlation between the aluminum in the rat brain and decreased brain glucose metabolism. A minimum detection limit of about 16 ppM (mass fraction) or 3 x 10/sup 9/ Al atoms was obtained for Al under the conditions employed. 14 refs., 4 figs., 1 tab.

  2. Time exposure studies on stress corrosion cracking of aluminum 2014-T6, 2219-T87, 2014-T651, 7075-T651, and titanium 6Al-4V

    Science.gov (United States)

    Terrell, J.

    1973-01-01

    The effect of a constant applied stress in crack initiation of aluminum 2014-T6, 2219-T87, 2014-T651, 7075-T651 and titanium 6Al-4V has been investigated. Aluminum c-ring specimens (1-inch diameter) and u-band titanium samples were exposed continuously to a 3.5% NaCl solution (pH 7) and organic fluids of ethyl, methyl, and iso-propyl alcohol (reagent purity), and demineralized distilled water. Corrosive action was observed to begin during the first and second day of constant exposure as evidenced by accumulation of hydrogen bubbles on the surface of stressed aluminum samples. However, titanium stressed specimens showed no reactions to its environment. Results of this investigation seems to suggest that aluminum 2014-T6, aluminum 7075-T651 and aluminum 2014-T651 are susceptible to stress corrosion cracking in chloride solution (NaCl), while aluminum 2219-T87 seem to resist stress corrosion cracking in sodium chloride at three levels of stress (25%, 50%, and 75% Y.S.). In organic fluids of methyl, ethyl, and iso-propyl alcohol, 2014-T6 and 7075-T651 did not fail by SCC; but 2014-T651 was susceptible to SCC in methly alcohol, but resistant in ethyl alcohol, iso-propyl alcohol and demineralized distilled water.

  3. Fabrication of Aluminum Foams with Small Pore Size by Melt Foaming Method

    Science.gov (United States)

    Cheng, Ying; Li, Yanxiang; Chen, Xiang; Shi, Tong; Liu, Zhiyong; Wang, Ningzhen

    2017-04-01

    This article introduces an improvement to the fabrication of aluminum foams with small pore size by melt foaming method. Before added to the melt, the foaming agent (titanium hydride) was pretreated in two steps. It firstly went through the traditional pre-oxidation treatment, which delayed the decomposition of titanium hydride and made sure the dispersion stage was controllable. Then such pre-oxidized titanium hydride powder was mixed with copper powder in a planetary ball mill. This treatment can not only increase the number of foaming agent particles and make them easier to disperse in the melt, which helps to increase the number of pores, but also reduce the amount of hydrogen released in the foaming stage. Therefore, the pore size could be decreased. Using such a ball-milled foaming agent in melt foaming method, aluminum foams with small pore size (average size of 1.6 mm) were successfully fabricated.

  4. Iron-aluminum alloys having high room-temperature and method for making same

    Science.gov (United States)

    Sikka, V.K.; McKamey, C.G.

    1993-08-24

    A wrought and annealed iron-aluminum alloy is described consisting essentially of 8 to 9.5% aluminum, an effective amount of chromium sufficient to promote resistance to aqueous corrosion of the alloy, and an alloying constituent selected from the group of elements consisting of an effective amount of molybdenum sufficient to promote solution hardening of the alloy and resistance of the alloy to pitting when exposed to solutions containing chloride, up to about 0.05% carbon with up to about 0.5% of a carbide former which combines with the carbon to form carbides for controlling grain growth at elevated temperatures, and mixtures thereof, and the balance iron, wherein said alloy has a single disordered [alpha] phase crystal structure, is substantially non-susceptible to hydrogen embrittlement, and has a room-temperature ductility of greater than 20%.

  5. An electrochemical study of the corrosion behavior of primer coated 2219-T87 aluminum

    Science.gov (United States)

    Danford, M. D.; Higgins, R. H.

    1985-01-01

    The corrosion behavior for 2219-T87 aluminum coated with various primers, including those used for the external tank and solid rocket boosters of the Space Shuttle Transportation System, were investigated using electrochemical techniques. Corrosion potential time, polarization resistance time, electrical resistance time, and corrosion rate time measurements were all investigated. It was found that electrical resistance time and corrosion rate time measurement were most useful for studying the corrosion behavior of painted aluminum. Electrical resistance time determination give useful information concerning the porosity of paint films, while corrosion rate time curves give important information concerning overall corrosion rates and corrosion mechanisms. In general, the corrosion rate time curves all exhibited at least one peak during the 30 day test period, which was attributed, according to the proposed mechanisms, to the onset of the hydrogen evolution reaction and the beginning of destruction of the protective properties of the paint film.

  6. Center for Hydrogen Storage.

    Science.gov (United States)

    2013-06-01

    The main goals of this project were to (1) Establish a Center for Hydrogen Storage Research at Delaware State University for the preparation and characterization of selected complex metal hydrides and the determination their suitability for hydrogen ...

  7. Handbook of hydrogen energy

    CERN Document Server

    Sherif, SA; Stefanakos, EK; Steinfeld, Aldo

    2014-01-01

    ""This book provides an excellent overview of the hydrogen economy and a thorough and comprehensive presentation of hydrogen production and storage methods.""-Scott E. Grasman, Rochester Institute of Technology, New York, USA

  8. Hydrogen production by Cyanobacteria

    Directory of Open Access Journals (Sweden)

    Chaudhuri Surabhi

    2005-12-01

    Full Text Available Abstract The limited fossil fuel prompts the prospecting of various unconventional energy sources to take over the traditional fossil fuel energy source. In this respect the use of hydrogen gas is an attractive alternate source. Attributed by its numerous advantages including those of environmentally clean, efficiency and renew ability, hydrogen gas is considered to be one of the most desired alternate. Cyanobacteria are highly promising microorganism for hydrogen production. In comparison to the traditional ways of hydrogen production (chemical, photoelectrical, Cyanobacterial hydrogen production is commercially viable. This review highlights the basic biology of cynobacterial hydrogen production, strains involved, large-scale hydrogen production and its future prospects. While integrating the existing knowledge and technology, much future improvement and progress is to be done before hydrogen is accepted as a commercial primary energy source.

  9. Hydrogen Technologies Safety Guide

    Energy Technology Data Exchange (ETDEWEB)

    Rivkin, C. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Burgess, R. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Buttner, W. [National Renewable Energy Lab. (NREL), Golden, CO (United States)

    2015-01-01

    The purpose of this guide is to provide basic background information on hydrogen technologies. It is intended to provide project developers, code officials, and other interested parties the background information to be able to put hydrogen safety in context. For example, code officials reviewing permit applications for hydrogen projects will get an understanding of the industrial history of hydrogen, basic safety concerns, and safety requirements.

  10. Pore structure and mechanical properties of directionally solidified porous aluminum alloys

    Directory of Open Access Journals (Sweden)

    Komissarchuk Olga

    2014-01-01

    Full Text Available Porous aluminum alloys produced by the metal-gas eutectic method or GASAR process need to be performed under a certain pressure of hydrogen, and to carry over melt to a tailor-made apparatus that ensures directional solidification. Hydrogen is driven out of the melt, and then the quasi-cylindrical pores normal to the solidification front are usually formed. In the research, the effects of processing parameters (saturation pressure, solidification pressure, temperature, and holding time on the pore structure and porosity of porous aluminum alloys were analyzed. The mechanical properties of Al-Mg alloys were studied by the compressive tests, and the advantages of the porous structure were indicated. By using the GASAR method, pure aluminum, Al-3wt.%Mg, Al-6wt.%Mg and Al-35wt.%Mg alloys with oriented pores have been successfully produced under processing conditions of varying gas pressure, and the relationship between the final pore structure and the solidification pressure, as well as the influences of Mg quantity on the pore size, porosity and mechanical properties of Al-Mg alloy were investigated. The results show that a higher pressure of solidification tends to yield smaller pores in aluminum and its alloys. In the case of Al-Mg alloys, it was proved that with the increasing of Mg amount, the mechanical properties of the alloys sharply deteriorate. However, since Al-3%Mg and Al-6wt.%Mg alloys are ductile metals, their porous samples have greater compressive strength than that of the dense samples due to the existence of pores. It gives the opportunity to use them in industry at the same conditions as dense alloys with savings in weight and material consumption.

  11. Magnesium for Hydrogen Storage

    DEFF Research Database (Denmark)

    Vigeholm, B.; Kjøller, John; Larsen, Bent

    1980-01-01

    The reaction of hydrogen with commercially pure magnesium powder (above 99.7%) was investigated in the temperature range 250–400 °C. Hydrogen is readily sorbed above the dissociation pressure. During the initial exposure the magnesium powder sorbs hydrogen slowly below 400 °C but during the second...

  12. Flash hydrogenation of coal

    Science.gov (United States)

    Manowitz, Bernard; Steinberg, Meyer; Sheehan, Thomas V.; Winsche, Warren E.; Raseman, Chad J.

    1976-01-01

    A process for the hydrogenation of coal comprising the contacting of powdered coal with hydrogen in a rotating fluidized bed reactor. A rotating fluidized bed reactor suitable for use in this process is also disclosed. The coal residence time in the reactor is limited to less than 5 seconds while the hydrogen contact time is not in excess of 0.2 seconds.

  13. Hydrogenation of passivated contacts

    Energy Technology Data Exchange (ETDEWEB)

    Nemeth, William; Yuan, Hao-Chih; LaSalvia, Vincenzo; Stradins, Pauls; Page, Matthew R.

    2018-03-06

    Methods of hydrogenation of passivated contacts using materials having hydrogen impurities are provided. An example method includes applying, to a passivated contact, a layer of a material, the material containing hydrogen impurities. The method further includes subsequently annealing the material and subsequently removing the material from the passivated contact.

  14. New nitrogen-containing materials for hydrogen storage and their characterization by high-pressure microbalance

    DEFF Research Database (Denmark)

    Vestbø, Andreas Peter

    -called complex hydrides, which contain hydrogen bound covalently often in very light materials involving elements such as lithium, sodium, nitrogen and aluminum. While these materials typically have high decomposition temperatures, the combination with other compounds helps to destabilize the material resulting...... in lowered effective dehydrogenation temperatures. From the discovery in 1996 by Borislav Bogdanović and his group that catalyzed sodium alanate, NaAlH4, can release hydrogen reversibly below 200 °C relatively fast, hydrogen storage in nitrogen-containing compounds beginning with lithium nitride, Li3N...

  15. The annealing behavior of hydrogen implanted into Al-Si alloy

    Energy Technology Data Exchange (ETDEWEB)

    Ogura, Masahiko; Yamaji, Norisuke; Imai, Makoto; Itoh, Akio; Imanishi, Nobutsugu [Kyoto Univ. (Japan). Faculty of Engineering

    1997-03-01

    We have studied effects of not only defects but also an added elements on trap-sites of hydrogen in metals. For the purpose, we observed depth profiles and thermal behaviors of hydrogen implanted into Al-1.5at.%Si alloy samples in an implantation-temperature range of liquid nitrogen temperature (LNT) to 373K at different doses. The results were compared with those for pure aluminum samples. It was found that hydrogen is trapped as molecules in grain boundaries of Al/Si. (author)

  16. Attenuation of hydrogen radicals traveling under flowing gas conditions through tubes of different materials

    International Nuclear Information System (INIS)

    Grubbs, R.K.; George, S.M.

    2006-01-01

    Hydrogen radical concentrations traveling under flowing gas conditions through tubes of different materials were measured using a dual thermocouple probe. The source of the hydrogen radicals was a toroidal radio frequency plasma source operating at 2.0 and 3.3 kW for H 2 pressures of 250 and 500 mTorr, respectively. The dual thermocouple probe was comprised of exposed and covered Pt/Pt13%Rh thermocouples. Hydrogen radicals recombined efficiently on the exposed thermocouple and the energy of formation of H 2 heated the thermocouple. The second thermocouple was covered by glass and was heated primarily by the ambient gas. The dual thermocouple probe was translated and measured temperatures at different distances from the hydrogen radical source. These temperature measurements were conducted at H 2 flow rates of 35 and 75 SCCM (SCCM denotes cubic centimeter per minute at STP) inside cylindrical tubes made of stainless steel, aluminum, quartz, and Pyrex. The hydrogen radical concentrations were obtained from the temperatures of the exposed and covered thermocouples. The hydrogen concentration decreased versus distance from the plasma source. After correcting for the H 2 gas flow using a reference frame transformation, the hydrogen radical concentration profiles yielded the atomic hydrogen recombination coefficient, γ, for the four materials. The methodology of measuring the hydrogen radical concentrations, the analysis of the results under flowing gas conditions, and the determination of the atomic hydrogen recombination coefficients for various materials will help facilitate the use of hydrogen radicals for thin film growth processes

  17. Mapping the global flow of aluminum: from liquid aluminum to end-use goods.

    Science.gov (United States)

    Cullen, Jonathan M; Allwood, Julian M

    2013-04-02

    Demand for aluminum in final products has increased 30-fold since 1950 to 45 million tonnes per year, with forecasts predicting this exceptional growth to continue so that demand will reach 2-3 times today's levels by 2050. Aluminum production uses 3.5% of global electricity and causes 1% of global CO2 emissions, while meeting a 50% cut in emissions by 2050 against growing demand would require at least a 75% reduction in CO2 emissions per tonne of aluminum produced--a challenging prospect. In this paper we trace the global flows of aluminum from liquid metal to final products, revealing for the first time a complete map of the aluminum system and providing a basis for future study of the emissions abatement potential of material efficiency. The resulting Sankey diagram also draws attention to two key issues. First, around half of all liquid aluminum (~39 Mt) produced each year never reaches a final product, and a detailed discussion of these high yield losses shows significant opportunities for improvement. Second, aluminum recycling, which avoids the high energy costs and emissions of electrolysis, requires signification "dilution" (~ 8 Mt) and "cascade" (~ 6 Mt) flows of higher aluminum grades to make up for the shortfall in scrap supply and to obtain the desired alloy mix, increasing the energy required for recycling.

  18. Casting Characteristics of High Cerium Content Aluminum Alloys

    Energy Technology Data Exchange (ETDEWEB)

    Weiss, D; Rios, O R; Sims, Z C; McCall, S K; Ott, R T

    2017-09-05

    This paper compares the castability of the near eutectic aluminum-cerium alloy system to the aluminum-silicon and aluminum-copper systems. The alloys are compared based on die filling capability, feeding characteristics and tendency to hot tear in both sand cast and permanent mold applications. The castability ranking of the binary Al–Ce systems is as good as the aluminum-silicon system with some deterioration as additional alloying elements are added. In alloy systems that use cerium in combination with common aluminum alloying elements such as silicon, magnesium and/or copper, the casting characteristics are generally better than the aluminum-copper system. In general, production systems for melting, de-gassing and other processing of aluminum-silicon or aluminum-copper alloys can be used without modification for conventional casting of aluminum-cerium alloys.

  19. Diversity among galaxy clusters

    International Nuclear Information System (INIS)

    Struble, M.F.; Rood, H.J.

    1988-01-01

    The classification of galaxy clusters is discussed. Consideration is given to the classification scheme of Abell (1950's), Zwicky (1950's), Morgan, Matthews, and Schmidt (1964), and Morgan-Bautz (1970). Galaxies can be classified based on morphology, chemical composition, spatial distribution, and motion. The correlation between a galaxy's environment and morphology is examined. The classification scheme of Rood-Sastry (1971), which is based on clusters's morphology and galaxy population, is described. The six types of clusters they define include: (1) a cD-cluster dominated by a single large galaxy, (2) a cluster dominated by a binary, (3) a core-halo cluster, (4) a cluster dominated by several bright galaxies, (5) a cluster appearing flattened, and (6) an irregularly shaped cluster. Attention is also given to the evolution of cluster structures, which is related to initial density and cluster motion

  20. Hydrogen release at metal-oxide interfaces: A first principle study of hydrogenated Al/SiO{sub 2} interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Jianqiu, E-mail: jianqiu@vt.edu [Department of Mechanical Engineering, Virginia Tech, Goodwin Hall, 635 Prices Fork Road - MC 0238, Blacksburg, VA 24061 (United States); Tea, Eric; Li, Guanchen [Department of Mechanical Engineering, Virginia Tech, Goodwin Hall, 635 Prices Fork Road - MC 0238, Blacksburg, VA 24061 (United States); Hin, Celine [Department of Mechanical Engineering, Virginia Tech, Goodwin Hall, 635 Prices Fork Road - MC 0238, Blacksburg, VA 24061 (United States); Department of Material Science and Engineering, Virginia Tech, Goodwin Hall, 635 Prices Fork Road-MC 0238, Blacksburg, VA 24061 (United States)

    2017-06-01

    Highlights: • Hydrogen release process at the Al/SiO{sub 2} metal-oxide interface has been investigated. • A mathematical model that estimates the hydrogen release potential has been proposed. • Al atoms, Al−O bonds, and Si−Al bonds are the major hydrogen traps at the Al/SiO{sub 2} interface. • Hydrogen atoms are primarily release from Al−H and O−H bonds at the Al/SiO{sub 2} metal-oxide interface. - Abstract: The Anode Hydrogen Release (AHR) mechanism at interfaces is responsible for the generation of defects, that traps charge carriers and can induce dielectric breakdown in Metal-Oxide-Semiconductor Field Effect Transistors. The AHR has been extensively studied at Si/SiO{sub 2} interfaces but its characteristics at metal-silica interfaces remain unclear. In this study, we performed Density Functional Theory (DFT) calculations to study the hydrogen release mechanism at the typical Al/SiO{sub 2} metal-oxide interface. We found that interstitial hydrogen atoms can break interfacial Al−Si bonds, passivating a Si sp{sup 3} orbital. Interstitial hydrogen atoms can also break interfacial Al−O bonds, or be adsorbed at the interface on aluminum, forming stable Al−H−Al bridges. We showed that hydrogenated O−H, Si−H and Al−H bonds at the Al/SiO{sub 2} interfaces are polarized. The resulting bond dipole weakens the O−H and Si−H bonds, but strengthens the Al−H bond under the application of a positive bias at the metal gate. Our calculations indicate that Al−H bonds and O−H bonds are more important than Si−H bonds for the hydrogen release process.