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Sample records for slow hydrogen transfer

  1. Strong isotope effects on the charge transfer in slow collisions of He2+ with atomic hydrogen, deuterium, and tritium

    NARCIS (Netherlands)

    Stolterfoht, N.; Cabrera-Trujillo, R.; Oehrn, Y.; Deumens, E.; Hoekstra, R.; Sabin, J. R.

    2007-01-01

    Probabilities and cross sections for charge transfer by He2+ impact on atomic hydrogen (H), deuterium (D), and tritium (T) at low collision energies are calculated. The results are obtained using an ab initio theory, which solves the time-dependent Schrodinger equation. For the H target, excellent

  2. Intramolecular Energy Transfer, Charge Transfer & Hydrogen Bond

    Indian Academy of Sciences (India)

    Ultrafast Dynamics of Chemical Reactions in Condensed Phase: Intramolecular Energy Transfer, Charge Transfer & Hydrogen Bond · PowerPoint Presentation · Slide 3 · Slide 4 · Slide 5 · Slide 6 · Slide 7 · Slide 8 · Slide 9 · Slide 10 · Slide 11 · Slide 12 · Slide 13 · Slide 14 · Slide 15 · Slide 16 · Slide 17 · Slide 18 · Slide 19.

  3. Evidence For The Production Of Slow Antiprotonic Hydrogen In Vacuum

    CERN Document Server

    Zurlo, N.; Amsler, C.; Bonomi, G.; Carraro, C.; Cesar, C.L.; Charlton, M.; Doser, M.; Fontana, A.; Funakoshi, R.; Genova, P.; Hayano, R.S.; Jorgensen, L.V.; Kellerbauer, A.; Lagomarsino, V.; Landua, R.; Lodi Rizzini, E.; Macri, M.; Madsen, N.; Manuzio, G.; Mitchard, D.; Montagna, P.; Posada, L.G.; Pruys, H.; Regenfus, C.; Rotondi, A.; Testera, G.; der Werf, D.P.Van; Variola, A.; Venturelli, L.; Yamazaki, Y.

    2006-01-01

    We present evidence showing how antiprotonic hydrogen, the quasistable antiproton-proton (pbar-p) bound system, has been synthesized following the interaction of antiprotons with the hydrogen molecular ion (H2+) in a nested Penning trap environment. From a careful analysis of the spatial distributions of antiproton annihilation events, evidence is presented for antiprotonic hydrogen production with sub-eV kinetic energies in states around n=70, and with low angular momenta. The slow antiprotonic hydrogen may be studied using laser spectroscopic techniques.

  4. Water-Transfer Slows Aging in Saccharomyces cerevisiae.

    Directory of Open Access Journals (Sweden)

    Aviv Cohen

    Full Text Available Transferring Saccharomyces cerevisiae cells to water is known to extend their lifespan. However, it is unclear whether this lifespan extension is due to slowing the aging process or merely keeping old yeast alive. Here we show that in water-transferred yeast, the toxicity of polyQ proteins is decreased and the aging biomarker 47Q aggregates at a reduced rate and to a lesser extent. These beneficial effects of water-transfer could not be reproduced by diluting the growth medium and depended on de novo protein synthesis and proteasomes levels. Interestingly, we found that upon water-transfer 27 proteins are downregulated, 4 proteins are upregulated and 81 proteins change their intracellular localization, hinting at an active genetic program enabling the lifespan extension. Furthermore, the aging-related deterioration of the heat shock response (HSR, the unfolded protein response (UPR and the endoplasmic reticulum-associated protein degradation (ERAD, was largely prevented in water-transferred yeast, as the activities of these proteostatic network pathways remained nearly as robust as in young yeast. The characteristics of young yeast that are actively maintained upon water-transfer indicate that the extended lifespan is the outcome of slowing the rate of the aging process.

  5. Water-Transfer Slows Aging in Saccharomyces cerevisiae.

    Science.gov (United States)

    Cohen, Aviv; Weindling, Esther; Rabinovich, Efrat; Nachman, Iftach; Fuchs, Shai; Chuartzman, Silvia; Gal, Lihi; Schuldiner, Maya; Bar-Nun, Shoshana

    2016-01-01

    Transferring Saccharomyces cerevisiae cells to water is known to extend their lifespan. However, it is unclear whether this lifespan extension is due to slowing the aging process or merely keeping old yeast alive. Here we show that in water-transferred yeast, the toxicity of polyQ proteins is decreased and the aging biomarker 47Q aggregates at a reduced rate and to a lesser extent. These beneficial effects of water-transfer could not be reproduced by diluting the growth medium and depended on de novo protein synthesis and proteasomes levels. Interestingly, we found that upon water-transfer 27 proteins are downregulated, 4 proteins are upregulated and 81 proteins change their intracellular localization, hinting at an active genetic program enabling the lifespan extension. Furthermore, the aging-related deterioration of the heat shock response (HSR), the unfolded protein response (UPR) and the endoplasmic reticulum-associated protein degradation (ERAD), was largely prevented in water-transferred yeast, as the activities of these proteostatic network pathways remained nearly as robust as in young yeast. The characteristics of young yeast that are actively maintained upon water-transfer indicate that the extended lifespan is the outcome of slowing the rate of the aging process.

  6. Air-water transfer of hydrogen sulfide

    DEFF Research Database (Denmark)

    Yongsiri, C.; Vollertsen, J.; Rasmussen, M. R.

    2004-01-01

    The emissions process of hydrogen sulfide was studied to quantify air–water transfer of hydrogen sulfide in sewer networks. Hydrogen sulfide transfer across the air–water interface was investigated at different turbulence levels (expressed in terms of the Froude number) and pH using batch...... experiments. By means of the overall mass–transfer coefficient (KLa), the transfer coefficient of hydrogen sulfide (KLaH2S), referring to total sulfide, was correlated to that of oxygen (KLaO2) (i.e., the reaeration coefficient). Results demonstrate that both turbulence and pH in the water phase play...... a significant role for KLaH2S. An exponential expression is a suitable representation for the relationship between KLaH2S and the Froude number at all pH values studied (4.5 to 8.0). Because of the dissociation of hydrogen sulfide, KLaH2S increased with decreasing pH at a constant turbulence level. Relative...

  7. Slow Collisions of Si3+ with Atomic Hydrogen

    Science.gov (United States)

    Joseph, D. C.; Gu, J.-P.; Saha, B. C.; Liebermann, H. P.; Funke, P.; Buenker, R. J.

    2010-03-01

    Low energy electron capture from hydrogen atom by multi-charged ions continues to be of interest and applications include both magnetically confined fusion and astrophysical plasmas. The charge exchange process reported here, Si^3+ + H -> Si^2+ + H^+ is an important destruction mechanism of Si^3+ in photo-ionized gas. The soft X-ray emission from comets has been explained by charge transfer of solar wind ions, among them Si^3+, with neutrals in the cometary gas vapor. The state selective cross sections are evaluated using the full quantum [1] and semi-classical molecular orbital close coupling (MOCC) [2] methods. Adiabatic potentials and wave functions for a number of low-lying singlet and triplet states of and symmetry are calculated wing the MRD-CI package [3]. Details will be presented at the conference. [4pt] [1] L. B. Zhao, D. C. Joseph, B. C. Saha, H. P. Liebermann, P. Funke and R. J. Buenker, Phys. Rev A, 79, 034701 (1009).[0pt] [2] M. Kimura and N. F. Lane, At. Mol. Opt. Phys 26, 79 (1990).[0pt] [3] R. J. Buenker, ``Current Aspects of Quantum Chemistry 1981, Vol 21, edited by R. Carbo (Elsevier, Amsterdam) p 17.

  8. The role of CFD combustion modeling in hydrogen safety management – V: Validation for slow deflagrations in homogeneous hydrogen-air experiments

    Energy Technology Data Exchange (ETDEWEB)

    Sathiah, Pratap [Nuclear Research and Consultancy Group (NRG), Westerduinweg 3, 1755 ZG Petten (Netherlands); Holler, Tadej, E-mail: tadej.holler@ijs.si [Jozef Stefan Institute (JSI), Jamova cesta 39, 1000 Ljubljana (Slovenia); Kljenak, Ivo [Jozef Stefan Institute (JSI), Jamova cesta 39, 1000 Ljubljana (Slovenia); Komen, Ed [Nuclear Research and Consultancy Group (NRG), Westerduinweg 3, 1755 ZG Petten (Netherlands)

    2016-12-15

    Highlights: • Validation of the modeling approach for hydrogen deflagration is presented. • Modeling approach is based on two combustion models implemented in ANSYS Fluent. • Experiments with various initial hydrogen concentrations were used for validation. • The effects of heat transfer mechanisms selection were also investigated. • The grid sensitivity analysis was performed as well. - Abstract: The control of hydrogen in the containment is an important safety issue following rapid oxidation of the uncovered reactor core during a severe accident in a Nuclear Power Plant (NPP), because dynamic pressure loads from eventual hydrogen combustion can be detrimental to the structural integrity of the reactor safety systems and the reactor containment. In the set of our previous papers, a CFD-based method to assess the consequence of fast combustion of uniform hydrogen-air mixtures was presented, followed by its validation for hydrogen-air mixtures with diluents and for non-uniform hydrogen-air mixtures. In the present paper, the extension of this model for the slow deflagration regime is presented and validated using the hydrogen deflagration experiments performed in the medium-scale experimental facility THAI. The proposed method is implemented in the CFD software ANSYS Fluent using user defined functions. The paper describes the combustion model and the main results of code validation. It addresses questions regarding turbulence model selection, effect of heat transfer mechanisms, and grid sensitivity, as well as provides insights into the importance of combustion model choice for the slow deflagration regime of hydrogen combustion in medium-scale and large-scale experimental vessels mimicking the NPP containment.

  9. One- and two-electron processes in collisions between hydrogen molecules and slow highly charged ions

    International Nuclear Information System (INIS)

    Wells, E.; Carnes, K.D.; Tawara, H.; Ali, R.; Sidky, Emil Y.; Illescas, Clara; Ben-Itzhak, I.

    2005-01-01

    A coincidence time-of-flight technique coupled with projectile charge state analysis was used to study electron capture in collisions between slow highly charged ions and hydrogen molecules. We found single electron capture with no target excitation to be the dominant process for both C 6+ projectiles at a velocity of 0.8 atomic units and Ar 11+ projectiles at v 0.63 a.u. Double electron capture and transfer excitation, however, were found to be comparable and occur about 30% of the time relative to single capture. Most projectiles (96%) auto-ionize quickly following double capture into doubly excited states. The data are compared to classical and quantum mechanical model calculations

  10. Measurement of dissolved hydrogen and hydrogen gas transfer in a hydrogen-producing reactor

    Energy Technology Data Exchange (ETDEWEB)

    Shizas, I.; Bagley, D.M. [Toronto Univ., ON (Canada). Dept. of Civil Engineering

    2004-07-01

    This paper presents a simple method to measure dissolved hydrogen concentrations in the laboratory using standard equipment and a series of hydrogen gas transfer tests. The method was validated by measuring hydrogen gas transfer parameters for an anaerobic reactor system that was purged with 10 per cent carbon dioxide and 90 per cent nitrogen using a coarse bubble diffuser stone. Liquid samples from the reactor were injected into vials and hydrogen was allowed to partition between the liquid and gaseous phases. The concentration of dissolved hydrogen was determined by comparing the headspace injections onto a gas chromatograph and a standard curve. The detection limit was 1.0 x 10{sup -5} mol/L of dissolved hydrogen. The gas transfer rate for hydrogen in basal medium and anaerobic digester sludge was used to validate the method. Results were compared with gas transfer models. In addition to monitoring dissolved hydrogen in reactor systems, this method can help improve hydrogen production potential. 1 ref., 4 figs.

  11. Experiments on the thermalization of slow neutrons by liquid hydrogen (1962)

    International Nuclear Information System (INIS)

    Cribier, D.; Jacrot, B.; Lacaze, A.; Roubeau, P.

    1962-01-01

    In order to increase the flux of neutrons of long wave-length (λ > 4 A) emerging from a channel in the EL-3, a liquid hydrogen device was introduced into a channel of the reactor (Channel H 1 ). The principle of the device is simple. A volume of liquid hydrogen is introduced as close as possible to the reactor core into a region of intense isotropic flux. This hydrogen slows down the slow neutrons; because of the very small mean free diffusion path of slow in hydrogen, this slowing down is considerable even in a small volume of liquid hydrogen, and the spectrum temperature of neutrons emerging from the volume of liquid hydrogen can therefore be shifted. The intensity gain for neutrons with a wave length λ, is a G (λ) function which, for perfect thermalization and ignoring capture, is expressed by: G (λ) = 225 exp (- 45.3/λ 2 ), assuming a temperature of 300 deg. K for the neutrons before cooling and is 20 deg. K after cooling. For a wave-length of 5 A, the theoretical maximum gain of thus about 37. (authors) [fr

  12. Slow positron beam study of hydrogen ion implanted ZnO thin films

    Science.gov (United States)

    Hu, Yi; Xue, Xudong; Wu, Yichu

    2014-08-01

    The effects of hydrogen related defect on the microstructure and optical property of ZnO thin films were investigated by slow positron beam, in combination with x-ray diffraction, infrared and photoluminescence spectroscopy. The defects were introduced by 90 keV proton irradiation with doses of 1×1015 and 1×1016 ions cm-2. Zn vacancy and OH bonding (VZn+OH) defect complex were identified in hydrogen implanted ZnO film by positron annihilation and infrared spectroscopy. The formation of these complexes led to lattice disorder in hydrogen implanted ZnO film and suppressed the luminescence process.

  13. Slow positron beam study of hydrogen ion implanted ZnO thin films

    International Nuclear Information System (INIS)

    Hu, Yi; Xue, Xudong; Wu, Yichu

    2014-01-01

    The effects of hydrogen related defect on the microstructure and optical property of ZnO thin films were investigated by slow positron beam, in combination with x-ray diffraction, infrared and photoluminescence spectroscopy. The defects were introduced by 90 keV proton irradiation with doses of 1×10 15 and 1×10 16 ions cm −2 . Zn vacancy and OH bonding (V Zn +OH) defect complex were identified in hydrogen implanted ZnO film by positron annihilation and infrared spectroscopy. The formation of these complexes led to lattice disorder in hydrogen implanted ZnO film and suppressed the luminescence process. - Highlights: • Hydrogen introduced by ion implantation can form hydrogen-related defect complex. • V Zn +OH defect complex is identified by positron annihilation and IR spectroscopy. • Irradiation defects suppress the luminescence process

  14. [Better performance of Western blotting: quick vs slow protein transfer, blotting membranes and the visualization methods].

    Science.gov (United States)

    Kong, Ling-Quan; Pu, Ying-Hui; Ma, Shi-Kun

    2008-01-01

    To study how the choices of the quick vs slow protein transfer, the blotting membranes and the visualization methods influence the performance of Western blotting. The cellular proteins were abstracted from human breast cell line MDA-MB-231 for analysis with Western blotting using quick (2 h) and slow (overnight) protein transfer, different blotting membranes (nitrocellulose, PVDF and nylon membranes) and different visualization methods (ECL and DAB). In Western blotting with slow and quick protein transfer, the prestained marker presented more distinct bands on nitrocellulose membrane than on the nylon and PVDF membranes, and the latter also showed clear bands on the back of the membrane to very likely cause confusion, which did not occur with nitrocellulose membrane. PVDF membrane allowed slightly clearer visualization of the proteins with DAB method as compared with nitrocellulose and nylon membranes, and on the latter two membranes, quick protein transfer was likely to result in somehow irregular bands in comparison with slow protein transfer. With slow protein transfer and chemiluminescence for visualization, all the 3 membranes showed clear background, while with quick protein transfer, nylon membrane gave rise to obvious background noise but the other two membranes did not. Different membranes should be selected for immunoblotting according to the actual needs of the experiment. Slow transfer of the proteins onto the membranes often has better effect than quick transfer, and enhanced chemiluminescence is superior to DAB for protein visualization and allows highly specific and sensitive analysis of the protein expressions.

  15. Capture and transfer of pions in hydrogenous materials

    International Nuclear Information System (INIS)

    Armstrong, D.S.

    1990-05-01

    Pionic hydrogen is a short-lived exotic hydrogen isotope in which a negative pion replaces the atomic electron. The formation and subsequent interactions of pionic hydrogen are discussed, with emphasis on the process of pion transfer. Recent results using the pion charge-exchange reaction (π - , π 0 ) obtained at TRIUMF are reviewed. (Author) (35 refs., 3 tabs., 9 figs.)

  16. Inelastic Transitions in Slow Collisions of Anti-Hydrogen with Hydrogen Atoms

    Science.gov (United States)

    Harrison, Robert; Krstic, Predrag

    2007-06-01

    We calculate excited adiabatic states and nonadiabatic coupling matrix elements of a quasimolecular system containing hydrogen and anti-hydrogen atoms, for a range of internuclear distances from 0.2 to 20 Bohrs. High accuracy is achieved by exact diagonalization of the molecular Hamiltionian in a large Gaussian basis. Nonadiabatic dynamics was calculated by solving MOCC equations. Positronium states are included in the consideration.

  17. Hydrogen Absorption Induced Slow Crack Growth in Austenitic Stainless Steels for Petrochemical Pressure Vessel Industries

    Directory of Open Access Journals (Sweden)

    Ronnie Rusli

    2011-05-01

    Full Text Available Type 304Land type 309 austenitic stainless steels were tested either by exposed to gaseous hydrogen or undergoing polarized cathodic charging. Slow crack growth by straining was observed in type 304L, and the formation of α‘ martensite was indicated to be precursor for such cracking. Gross plastic deformation was observed at the tip of the notch, and a single crack grew slowly from this region in a direction approximately perpendicular to the tensile axis. Martensite formation is not a necessary condition for hydrogen embrittlement in the austenitic phase.

  18. Resonance charge exchange between excited states in slow proton-hydrogen collisions

    International Nuclear Information System (INIS)

    Tolstikhina, Inga Yu.; Kato, Daiji

    2010-01-01

    The theory of resonance charge exchange in slow collisions of a proton with a hydrogen atom in the excited state is developed. It extends the Firsov-Demkov theory of resonance charge exchange to the case of degenerate initial and final states. The theory is illustrated by semiclassical and quantum calculations of charge exchange cross sections between states with n=2 in parabolic and spherical coordinates. The results are compared with existing close-coupling calculations.

  19. Kinetic Characteristics of Hydrogen Transfer Through Palladium-Modified Membrane

    Science.gov (United States)

    Petriev, I. S.; Frolov, V. Yu.; Bolotin, S. N.; Baryshev, M. G.; Kopytov, G. F.

    2018-01-01

    The paper deals with hydrogen transfer through Pd-23%Ag alloy membrane, the surface of which is modified by the electrolytic deposition of highly dispersed palladium. The dependence between the density of hydrogen flow and its excess pressure on the input surface of membrane is well approximated by the first-order curve. This fact indicates that the process of hydrogen permeability is defined by its dissociation on the input surface. Activation energy of this process is 47.9 kJ/mol which considerably exceeds that of the process of hydrogen transfer through palladium (22-30 kJ/mol). This confirms the fact that the chemisorption is a rate-controlling step of the hydrogen transfer through membrane.

  20. Transfer Hydrogenation: Employing a Simple, In Situ Prepared Catalytic System

    KAUST Repository

    Ang, Eleanor Pei Ling

    2017-01-01

    Transfer hydrogenation has been recognized to be an important synthetic method in both academic and industrial research to obtain valuable products including alcohols. Transition metal catalysts based on precious metals, such as Ru, Rh and Ir

  1. Liquid hydrogen transfer pipes and level regulation systems

    International Nuclear Information System (INIS)

    Marquet, M.; Prugne, P.; Roubeau, P.

    1961-01-01

    Describes: 1) Transfer pipes - Plunging rods in liquid hydrogen Dewars; transfer pipes: knee-joint system for quick and accurate positioning of plunging Dewar rods; system's rods: combined valve and rod; valves are activated either by a bulb pressure or by a solenoid automatically or hand controlled. The latter allows intermittent filling. 2) Level regulating systems: Level bulbs: accurate to 1 or 4 m; maximum and minimum level bulbs: automatic control of the liquid hydrogen valve. (author) [fr

  2. Heat transfer analysis of liquid piston compressor for hydrogen applications

    DEFF Research Database (Denmark)

    Kermani, Nasrin Arjomand; Rokni, Masoud

    2015-01-01

    A hydrogen compression technology using liquid as the compression piston is investigated from heat transfer point of view. A thermodynamic model, simulating a single compression stroke, is developed to investigate the heat transfer phenomena inside the compression chamber. The model is developed...... and through the walls, is investigated and compared with the adiabatic case. The results show that depending on heat transfer correlation, the hydrogen temperature reduces slightly between 0.2% and 0.4% compared to the adiabatic case, at 500bar, due to the large wall resistance and small contact area...... at the interface. Moreover, the results of the sensitivity analysis illustrates that increasing the total heat transfer coefficients at the interface and the wall, together with compression time, play key roles in reducing the hydrogen temperature. Increasing the total heat transfer coefficient at the interface...

  3. Muon transfer rates in collisions of hydrogen isotope mesic atoms on 'bare' nuclei. Multichannel adiabatic approach

    International Nuclear Information System (INIS)

    Korobov, V.I.; Melezhik, V.S.; Ponomarev, L.I.

    1992-01-01

    A numerical scheme for solving the problem of slow collisions in the three-body adiabatic approach is applied for calculation of muon transfer rates in collisions of hydrogen isotope atoms on bare nuclei. It is demonstrated that the multichannel adiabatic approach allows one to reach high accuracy results (∼3%) estimating the cross sections of charge transfer processes which are the best ones up to date. The method is appliable in a wide range of energies (0.001-50 eV) which is of interest for analysis of muon catalysed fusion experiments. 20 refs.; 3 figs.; 5 tabs

  4. Ultra slow muon generation and thermionic emission of hydrogen isotopes from tungsten surface

    International Nuclear Information System (INIS)

    Miyake, Yasuhiro

    2000-01-01

    To generate ultra slow muon, we developed Lyman α light (Lα light) resonance ionization method using 1s-2p-unbound transition. By this method, the desorption process of hydrogen isotope and hydrogen atom generation were studied. In order to generate T atom, the laser resonance ionization of hydrogen nucleus was investigated. When wavelength of VUV light was fixed to 121.52 nm, 1s-2p resonance frequency of T, and VUV light agreed with 355 nm ionization laser in space and time, promising event was observed. The fact showed the resonance ionization method could isolate and detect T atom. By the same method, the experiment of H and D atom were carried out under the condition of the same wavelength of VUV light of 121.57 and 121.53 nm of Lα light, respectively, and the same results were obtained. On the Mu resonance ionization experiment, the light wavelength of VUV was 122.09 nm of Lα of muonium. The results showed the promising event was observed on the expected position of TOF and Mass. The resonance ionization method using Lα light of hydrogen isotope on tungsten film is a very useful method to separate Mu, H, D and T under the same experiment conditions without wavelength of VUV light. (S.Y.)

  5. Magnetically Recoverable Supported Ruthenium Catalyst for Hydrogenation of Alkynes and Transfer Hydrogenation of Carbonyl Compounds

    Science.gov (United States)

    A ruthenium (Ru) catalyst supported on magnetic nanoparticles (NiFe2O4) has been successfully synthesized and used for hydrogenation of alkynes at room temperature as well as transfer hydrogenation of a number of carbonyl compounds under microwave irradiation conditions. The cata...

  6. Microscopic dynamics of the hydrogen bonded systems studied by quasi-elastic slow neutron scattering

    International Nuclear Information System (INIS)

    Padureanu, I.; Aranghel, D.; Radulescu, A.; Ion, M.; Lechner, R. E.; Desmedt, A.; Pieper, J.

    2002-01-01

    provide a satisfactory description of supercooled liquid dynamics. In order to contribute to an answer, we performed a new experiment of incoherent slow neutron scattering. Part of the obtained results is presented in a previously paper. Neutron scattering experiments were done at the time of flight spectrometer NEAT of the Berlin Neutron Scattering Center(BENSC). In this study we have used cold neutrons with the wavelength of λ = 5.1 A, which corresponds to an incident energy E o = 3.145 meV and a resolution ΔE = 98 μeV (full width at half-maximum, FWHM, of the elastic line of the vanadium sample). The scattering spectra were taken with 140 detectors in a large angular range 15.41 angle -1 for the elastic wave and the energy transfer hω s (θ,ω). The final data are obtained at 27 scattering angles as a function of the energy transfer hω for 8 temperatures 50 K, 100 K, 150 K, 188 K, 240 K, 290 K, 320 K and 400 K. The data have been also analyzed in terms of the generalized frequency distribution g (ω), the angular distribution dσ/dΩ of the quasi-elastically scattered neutrons and the observed line width ΔE = f (Q 0 2 , T). An obvious feature attribute to as boson peak is present at all temperatures from 50 K to 290 K in the dynamic scattering function Ss (θ,ω) and the generalized frequency distribution g (ω)/ω 2 of glycerol. The temperature dependence of the peak position shows an anomalous behavior near T g . This effect proves a soft dynamics additionally to the acoustic modes. At the same time the temperature dependence of the FWHM of the quasielastic line leads to a possible two step process approach in glycerol. (authors)

  7. Causes and implications of the slow pace of technology transfer and ...

    African Journals Online (AJOL)

    The major problem facing most developing countries today is the need to transform their agricultural industries from one depending on traditional inputs with low productivity to one based on modern input with higher productivity. The study was set up to examine the causes and implication of slow pace of technology transfer ...

  8. Causes and implications of the slow pace of technology transfer and ...

    African Journals Online (AJOL)

    The causes of slow pace of technology transfer and adoption were identified to include ineffectiveness of extension delivery system, lack of adequate liaison between extension and research, lack of trained personnel both in quantity and quality, inadequate financial support, complexity of the new technology, incompatibility, ...

  9. Muon transfer from hot muonic hydrogen atoms to neon

    International Nuclear Information System (INIS)

    Jacot-Guillarmod, R.; Beer, G.A.; Knowles, P.E.; Mason, G.R.; Olin, A.; Beveridge, J.L.; Marshall, G.M.; Brewer, J.H.; Forster, B.M.; Huber, T.M.; Kammel, P.; Zmeskal, J.; Petitjean, C.

    1992-01-01

    A negative muon beam has been directed on adjacent solid layers of hydrogen and neon. Three targets differing by their deuterium concentration were investigated. Muonic hydrogen atoms can drift to the neon layer where the muon is immediately transferred. The time structure of the muonic neon X-rays follows the exponential law with a disappearance rate corresponding to the one of μ -p atoms in each target. The rates λ ppμ and λ pd can be extracted

  10. Intermolecular Hydrogen Transfer in Isobutane Hydrate

    Directory of Open Access Journals (Sweden)

    Takeshi Sugahara

    2012-05-01

    Full Text Available Electron spin resonance (ESR spectra of butyl radicals induced with γ-ray irradiation in the simple isobutane (2-methylpropane hydrate (prepared with deuterated water were investigated. Isothermal annealing results of the γ-ray-irradiated isobutane hydrate reveal that the isobutyl radical in a large cage withdraws a hydrogen atom from the isobutane molecule through shared hexagonal-faces of adjacent large cages. During this “hydrogen picking” process, the isobutyl radical is apparently transformed into a tert-butyl radical, while the sum of isobutyl and tert-butyl radicals remains constant. The apparent transformation from isobutyl to tert-butyl radicals is an irreversible first-order reaction and the activation energy was estimated to be 35 ± 3 kJ/mol, which was in agreement with the activation energy (39 ± 5 kJ/mol of hydrogen picking in the γ-ray-irradiated propane hydrate with deuterated water.

  11. Transfer Hydrogenation: Employing a Simple, In Situ Prepared Catalytic System

    KAUST Repository

    Ang, Eleanor Pei Ling

    2017-04-01

    Transfer hydrogenation has been recognized to be an important synthetic method in both academic and industrial research to obtain valuable products including alcohols. Transition metal catalysts based on precious metals, such as Ru, Rh and Ir, are typically employed for this process. In recent years, iron-based catalysts have attracted considerable attention as a greener and more sustainable alternative since iron is earth abundant, inexpensive and non-toxic. In this work, a combination of iron disulfide with chelating bipyridine ligand was found to be effective for the transfer hydrogenation of a variety of ketones to the corresponding alcohols in the presence of a simple base. It provided a convenient and economical way to conduct transfer hydrogenation. A plausible role of sulfide next to the metal center in facilitating the catalytic reaction is demonstrated.

  12. Probing hydrogen bonding interactions and proton transfer in proteins

    Science.gov (United States)

    Nie, Beining

    Scope and method of study. Hydrogen bonding is a fundamental element in protein structure and function. Breaking a single hydrogen bond may impair the stability of a protein. It is therefore important to probe dynamic changes in hydrogen bonding interactions during protein folding and function. Time-resolved Fourier transform infrared spectroscopy is highly sensitive to hydrogen bonding interactions. However, it lacks quantitative correlation between the vibrational frequencies and the number, type, and strength of hydrogen bonding interactions of ionizable and polar residues. We employ quantum physics theory based ab initio calculations to study the effects of hydrogen bonding interactions on vibrational frequencies of Asp, Glu, and Tyr residues and to develop vibrational spectral markers for probing hydrogen bonding interactions using infrared spectroscopy. In addition, proton transfer process plays a crucial role in a wide range of energy transduction, signal transduction, and enzymatic reactions. We study the structural basis for proton transfer using photoactive yellow protein as an excellent model system. Molecular dynamics simulation is employed to investigate the structures of early intermediate states. Quantum theory based ab initio calculations are used to study the impact of hydrogen bond interactions on proton affinity and proton transfer. Findings and conclusions. Our extensive density function theory based calculations provide rich structural, spectral, and energetic information on hydrogen bonding properties of protonated side chain groups of Asp/Glu and Tyr. We developed vibrational spectral markers and 2D FTIR spectroscopy for structural characterization on the number and the type of hydrogen bonding interactions of the COOH group of Asp/Glu and neutral phenolic group of Tyr. These developments greatly enhance the power of time-resolved FTIR spectroscopy as a major experimental tool for structural characterization of functionally important

  13. An abnormally slow proton transfer reaction in a simple HBO derivative due to ultrafast intramolecular-charge transfer events.

    Science.gov (United States)

    Alarcos, Noemí; Gutierrez, Mario; Liras, Marta; Sánchez, Félix; Douhal, Abderrazzak

    2015-07-07

    We report on the steady-state, picosecond and femtosecond time-resolved studies of a charge and proton transfer dye 6-amino-2-(2'-hydroxyphenyl)benzoxazole (6A-HBO) and its methylated derivative 6-amino-2-(2'-methoxyphenyl)benzoxazole (6A-MBO), in different solvents. With femtosecond resolution and comparison with the photobehaviour of 6A-MBO, we demonstrate for 6A-HBO in solution, the photoproduction of an intramolecular charge-transfer (ICT) process at S1 taking place in ∼140 fs or shorter, followed by solvent relaxation in the charge transferred species. The generated structure (syn-enol charge transfer conformer) experiences an excited-state intramolecular proton-transfer (ESIPT) reaction to produce a keto-type tautomer. This subsequent proton motion occurs in 1.2 ps (n-heptane), 14 ps (DCM) and 35 ps (MeOH). In MeOH, it is assisted by the solvent molecules and occurs through tunneling for which we got a large kinetic isotope effect (KIE) of about 13. For the 6A-DBO (deuterated sample in CD3OD) the global proton-transfer reaction takes place in 200 ps, showing a remarkable slow KIE regime. The slow ESIPT reaction in DCM (14 ps), not through tunnelling as it is not sensitive to OH/OD exchange, has however to overcome an energy barrier using intramolecular as well as solvent coordinates. The rich ESIPT dynamics of 6A-HBO in the used solutions is governed by an ICT reaction, triggered by the amino group, and it is solvent dependent. Thus, the charge injection to a 6A-HBO molecular frame makes the ICT species more stable, and the phenol group less acidic, slowing down the subsequent ESIPT reaction. Our findings bring new insights into the coupling between ICT and ESIPT reactions on the potential-energy surfaces of several barriers.

  14. Current Topics in the Asymmetric Transfer Hydrogenation of Imines

    Czech Academy of Sciences Publication Activity Database

    Januščák, J.; Václavík, Jiří; Šot, P.; Pecháček, J.; Vilhanová, B.; Kuzma, Marek; Kačer, P.

    2015-01-01

    Roč. 109, č. 7 (2015), s. 492-498 ISSN 0009-2770 R&D Projects: GA ČR GAP106/12/1276; GA MŠk(CZ) LO1509 Institutional support: RVO:61388971 Keywords : asymmetric transfer hydrogenation * ruthenium * isoquinoline Subject RIV: EE - Microbiology, Virology Impact factor: 0.279, year: 2015

  15. Charge exchange cross sections in slow collisions of Si3+ with Hydrogen atom

    Science.gov (United States)

    Joseph, Dwayne; Quashie, Edwin; Saha, Bidhan

    2011-05-01

    In recent years both the experimental and theoretical studies of electron transfer in ion-atom collisions have progressed considerably. Accurate determination of the cross sections and an understanding of the dynamics of the electron-capture process by multiply charged ions from atomic hydrogen over a wide range of projectile velocities are important in various field ranging from fusion plasma to astrophysics. The soft X-ray emission from comets has been explained by charge transfer of solar wind ions, among them Si3+, with neutrals in the cometary gas vapor. The cross sections are evaluated using the (a) full quantum and (b) semi-classical molecular orbital close coupling (MOCC) methods. Adiabatic potentials and wave functions for relavent singlet and triplet states are generated using the MRDCI structure codes. Details will be presented at the conference. In recent years both the experimental and theoretical studies of electron transfer in ion-atom collisions have progressed considerably. Accurate determination of the cross sections and an understanding of the dynamics of the electron-capture process by multiply charged ions from atomic hydrogen over a wide range of projectile velocities are important in various field ranging from fusion plasma to astrophysics. The soft X-ray emission from comets has been explained by charge transfer of solar wind ions, among them Si3+, with neutrals in the cometary gas vapor. The cross sections are evaluated using the (a) full quantum and (b) semi-classical molecular orbital close coupling (MOCC) methods. Adiabatic potentials and wave functions for relavent singlet and triplet states are generated using the MRDCI structure codes. Details will be presented at the conference. Work supported by NSF CREST project (grant #0630370).

  16. Midwives׳ decision making about transfers for 'slow' labour in rural New Zealand.

    Science.gov (United States)

    Patterson, Jean; Skinner, Joan; Foureur, Maralyn

    2015-06-01

    Midwives who provided Lead Maternity Care (LMC) to women in rural areas were invited to share their experiences of decision making around transfer in labour. Ethics approval was obtained from the NZ National Ethics Committee. to explore midwives׳ decision making processes when making transfer decisions for slow labour progress from rural areas to specialist care. individual and group interviews were conducted with a purposive sample of rural midwives. The recalled decision processes of the midwives were subjected to a content and thematic analysis to expose experiences in common and to highlight aspects of probabilistic (normative), heuristic (behavioural), and group decision making theory within the rural context. New Zealand. 15 midwives who provided LMC services to women in their rural areas. 'making the mind shift', 'sitting on the boundary', 'timing the transfer' and 'the community interest' emerged as key themes. The decision processes were also influenced by the woman׳s preferences and the distance and time involved in the transfer. the findings contribute insights into the challenge of making transfer decisions in rural units; particularly for otherwise well women who were experiencing slow labour progress. Knowledge of the fallibility of our heuristic decision making strategies may encourage the practitioner to step back and take a more deliberative, probabilistic view of the situation. In addition to the clinical picture, this process should include the relational and aspirational aspects for the woman, and any logistical challenges of the particular rural context. Copyright © 2015 Elsevier Ltd. All rights reserved.

  17. Experiments on the thermalization of slow neutrons by liquid hydrogen (1962); Experience de thermalisation de neutrons lents par de l'hydrogene liquide (1962)

    Energy Technology Data Exchange (ETDEWEB)

    Cribier, D; Jacrot, B; Lacaze, A; Roubeau, P [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires; Institut Fourier, 38 - Grenoble (France)

    1962-07-01

    In order to increase the flux of neutrons of long wave-length ({lambda} > 4 A) emerging from a channel in the EL-3, a liquid hydrogen device was introduced into a channel of the reactor (Channel H{sub 1}). The principle of the device is simple. A volume of liquid hydrogen is introduced as close as possible to the reactor core into a region of intense isotropic flux. This hydrogen slows down the slow neutrons; because of the very small mean free diffusion path of slow in hydrogen, this slowing down is considerable even in a small volume of liquid hydrogen, and the spectrum temperature of neutrons emerging from the volume of liquid hydrogen can therefore be shifted. The intensity gain for neutrons with a wave length {lambda}, is a G ({lambda}) function which, for perfect thermalization and ignoring capture, is expressed by: G ({lambda}) = 225 exp (- 45.3/{lambda}{sup 2}), assuming a temperature of 300 deg. K for the neutrons before cooling and is 20 deg. K after cooling. For a wave-length of 5 A, the theoretical maximum gain of thus about 37. (authors) [French] Dans le but d'accroitre le flux des neutrons de grande longueur d'onde ({lambda} > 4 A) sortant d'un canal de la pile EL-3, un dispositif a hydrogene liquide a ete introduit dans un canal de la pile (canal H{sub 1}). Le principe du dispositif est simple. Un volume d'hydrogene liquide est introduit le plus pres possible du coeur de ia pile dans une region de flux intense et isotrope. Les neutrons lents sont ralentis par cet hydrogene; a cause du tres faible libre parcours moyen de diffusion des neutrons lents dans l'hydrogene, ce ralentissement est important meme dans un faible volume d'hydrogene liquide et l'on peut ainsi deplacer la temperature du spectre des neutrons sortant du volume d'hydrogene liquide. Le gain en intensite des neutrons de longueur d'onde {lambda} est une fonction G ({lambda}) qui pour une thermalisation parfaite et en negligeant la capture, s'exprime par: G ({lambda}) = 225 exp (- 45

  18. Electron transfer by excited benzoquinone anions: slow rates for two-electron transitions.

    Science.gov (United States)

    Zamadar, Matibur; Cook, Andrew R; Lewandowska-Andralojc, Anna; Holroyd, Richard; Jiang, Yan; Bikalis, Jin; Miller, John R

    2013-09-05

    Electron transfer (ET) rate constants from the lowest excited state of the radical anion of benzoquinone, BQ(-•)*, were measured in THF solution. Rate constants for bimolecular electron transfer reactions typically reach the diffusion-controlled limit when the free-energy change, ΔG°, reaches -0.3 eV. The rate constants for ET from BQ(-•)* are one-to-two decades smaller at this energy and do not reach the diffusion-controlled limit until -ΔG° is 1.5-2.0 eV. The rates are so slow probably because a second electron must also undergo a transition to make use of the energy of the excited state. Similarly, ET, from solvated electrons to neutral BQ to form the lowest excited state, is slow, while fast ET is observed at a higher excited state, which can be populated in a transition involving only one electron. A simple picture based on perturbation theory can roughly account for the control of electron transfer by the need for transition of a second electron. The picture also explains how extra driving force (-ΔG°) can restore fast rates of electron transfer.

  19. Hydrogen peroxide increases depolarization-induced contraction of mechanically skinned slow twitch fibres from rat skeletal muscles.

    Science.gov (United States)

    Plant, David R; Lynch, Gordon S; Williams, David A

    2002-03-15

    The effect of exogenous hydrogen peroxide (H(2)O(2)) on excitation-contraction (E-C) coupling and sarcoplasmic reticulum (SR) function was compared in mechanically skinned slow twitch fibres (prepared from the soleus muscles) and fast twitch fibres (prepared from the extensor digitorum longus; EDL muscles) of adult rats. Equilibration (5 min) with 1 mM H(2)O(2) diminished the ability of the Ca(2+)-depleted SR to reload Ca(2+) in both slow (P fast twitch fibres (P fast twitch fibres by 24 +/- 5 % (P slow twitch fibres. Treatment with 1 mM H(2)O(2) also increased the peak force of low [caffeine] contracture by approximately 45% in both fibre types compared to control (P slow twitch fibres, compared to control (no H(2)O(2); P fast twitch fibres was not altered by 1 mM H(2)O(2) treatment. Equilibration with 5 mM H(2)O(2) induced a spontaneous force response in both slow and fast twitch fibres, which could be partly reversed by 2 min treatment with 10 mM DTT. Peak DICR was also increased approximately 40% by 5 mM H(2)O(2) in slow twitch fibres compared to control (no H(2)O(2); P slow but not fast twitch fibres. The increase in depolarization-induced contraction in slow twitch fibres might be mediated by an increased SR Ca(2+) release during contraction and/or an increase in Ca(2+) sensitivity.

  20. Cryogenic Propellant Storage and Transfer Engineering Development Unit Hydrogen Tank

    Science.gov (United States)

    Werkheiser, Arthur

    2015-01-01

    The Cryogenic Propellant Storage and Transfer (CPST) project has been a long-running program in the Space Technology Mission Directorate to enhance the knowledge and technology related to handling cryogenic propellants, specifically liquid hydrogen. This particular effort, the CPST engineering development unit (EDU), was a proof of manufacturability effort in support of a flight article. The EDU was built to find and overcome issues related to manufacturability and collect data to anchor the thermal models for use on the flight design.

  1. Vibrational localized motions of hydrogen in the storage compound Ti0.8 Zr0.2 CrMnH3 studied by slow neutron inelastic scattering

    International Nuclear Information System (INIS)

    Mestnik Filho, J.; Vinhas, L.A.

    1988-08-01

    The vibrational localized motions of hydrogen in the storage compound Ti 0.8 Zr 0.2 CrMnH 3 have been studied by slow neutron scattering, utilizing a berilium-filter-time-of-flight spectrometer. An energy distribution, consisting of therre peaks 50 MeV wide (FWHM), corresponding to the energy transfer of 85, 115 and 141 MeV has been observed and was attributed to hydrogen localized vibrations in three types of interstices which differs in composition of Ti and Zr atoms. From the analysis of the observed peaks intensities, it was concluded that the lowest measured hydrogen vibrational frequency is correlated with interstices that are rich in zirconium atoms whereas the highest frequency is due o interstices rich in titanium atoms. Therefore the larger radius of the the Zr atoms leads to the formation of interstices with larger intersticial hole sizes, which, in turn, makes possible the absorption of hydrogen in this compound, in contrast to an isostructural compound which contains only atoms with smaller radii, like Ti, in place of the atomic group Ti 0.8 Zr 0.2 . (author) [pt

  2. Energy distribution and transfer in flowing hydrogen microwave plasmas

    International Nuclear Information System (INIS)

    Chapman, R.A.

    1987-01-01

    This thesis is an experimental investigation of the physical and chemical properties of a hydrogen discharge in a flowing microwave plasma system. The plasma system is the mechanisms utilized in an electrothermal propulsion concept to convert electromagnetic energy into the kinetic energy of flowing hydrogen gas. The plasmas are generated inside a 20-cm ID resonant cavity at a driving frequency of 2.45 GHz. The flowing gas is contained in a coaxially positioned 22-mm ID quartz discharge tube. The physical and chemical properties are examined for absorbed powers of 20-100 W, pressures of 0.5-10 torr, and flow rates of 0-10,000 μ-moles/sec. A calorimetry system enclosing the plasma system to accurately measure the energy inputs and outputs has been developed. The rate of energy that is transferred to the hydrogen gas as it flows through the plasma system is determined as a function of absorbed power, pressure, and flow rate to +/-1.8 W from an energy balance around the system. The percentage of power that is transferred to the gas is found to increase with increasing flow rate, decrease with increasing pressure, and to be independent of absorbed power

  3. Hydrogen transfer preventive device in FBR power plant

    International Nuclear Information System (INIS)

    Hoshi, Yuichi.

    1987-01-01

    Purpose: To prevent transfer of hydrogen, etc. in FBR power plant. Constitution: Since H 2 permeates heat conduction pipes in a steam generator, it is necessary to eliminate all of permeation hydrogen, etc. by primary cold traps particularly in the case of saving the intermediate heat exchange. In view of the above, the heat conduction pipes of the steam generator are constituted as a double pipe structure and helium gases are recycled through the gaps thereof and hydrogen traps are disposed to the recycling path. H 2 released into water flowing through the inside of the inner pipe is permeated through the inner pipe and leached into the gap, but the leached H 2 is carried by the helium recycling stream to the hydrogen trap and then the H 2 stream removed with H 2 is returned to the gaps. In this way, the capacity of the primary cold traps disposed in the liquid sodium recycling circuit can be reduced remarkably and the capacity of the purifying device, if an intermediate heat exchanger is disposed, is also reduced to decrease the plant cost. Further, diffusion of deleterious gases from the primary to the secondary circuits can be prevented as well. (Kamimura, M.)

  4. Charge transfer in proton-hydrogen collisions under Debye plasma

    Energy Technology Data Exchange (ETDEWEB)

    Bhattacharya, Arka [Department of Mathematics, Burdwan University, Golapbag, Burdwan 713 104, West Bengal (India); Kamali, M. Z. M. [Centre for Foundation Studies in Science, University of Malaya, 50603 Kuala Lumpur (Malaysia); Ghoshal, Arijit, E-mail: arijit98@yahoo.com [Department of Mathematics, Burdwan University, Golapbag, Burdwan 713 104, West Bengal (India); Department of Mathematics, Kazi Nazrul University, B.C.W. Campus, Asansol 713 304, West Bengal (India); Institute of Mathematical Sciences, Faculty of Science, University of Malaya, 50603 Kuala Lumpur (Malaysia); Ratnavelu, K. [Department of Mathematics, Kazi Nazrul University, B.C.W. Campus, Asansol 713 304, West Bengal (India)

    2015-02-15

    The effect of plasma environment on the 1s → nlm charge transfer, for arbitrary n, l, and m, in proton-hydrogen collisions has been investigated within the framework of a distorted wave approximation. The effect of external plasma has been incorporated using Debye screening model of the interacting charge particles. Making use of a simple variationally determined hydrogenic wave function, it has been possible to obtain the scattering amplitude in closed form. A detailed study has been made to investigate the effect of external plasma environment on the differential and total cross sections for electron capture into different angular momentum states for the incident energy in the range of 20–1000 keV. For the unscreened case, our results are in close agreement with some of the most accurate results available in the literature.

  5. Hydrogen transfer reactions of interstellar Complex Organic Molecules

    Science.gov (United States)

    Álvarez-Barcia, S.; Russ, P.; Kästner, J.; Lamberts, T.

    2018-06-01

    Radical recombination has been proposed to lead to the formation of complex organic molecules (COMs) in CO-rich ices in the early stages of star formation. These COMs can then undergo hydrogen addition and abstraction reactions leading to a higher or lower degree of saturation. Here, we have studied 14 hydrogen transfer reactions for the molecules glyoxal, glycoaldehyde, ethylene glycol, and methylformate and an additional three reactions where CHnO fragments are involved. Over-the-barrier reactions are possible only if tunneling is invoked in the description at low temperature. Therefore the rate constants for the studied reactions are calculated using instanton theory that takes quantum effects into account inherently. The reactions were characterized in the gas phase, but this is expected to yield meaningful results for CO-rich ices due to the minimal alteration of reaction landscapes by the CO molecules. We found that rate constants should not be extrapolated based on the height of the barrier alone, since the shape of the barrier plays an increasingly larger role at decreasing temperature. It is neither possible to predict rate constants based only on considering the type of reaction, the specific reactants and functional groups play a crucial role. Within a single molecule, though, hydrogen abstraction from an aldehyde group seems to be always faster than hydrogen addition to the same carbon atom. Reactions that involve heavy-atom tunneling, e.g., breaking or forming a C-C or C-O bond, have rate constants that are much lower than those where H transfer is involved.

  6. Proton-coupled electron transfer versus hydrogen atom transfer: generation of charge-localized diabatic states.

    Science.gov (United States)

    Sirjoosingh, Andrew; Hammes-Schiffer, Sharon

    2011-03-24

    The distinction between proton-coupled electron transfer (PCET) and hydrogen atom transfer (HAT) mechanisms is important for the characterization of many chemical and biological processes. PCET and HAT mechanisms can be differentiated in terms of electronically nonadiabatic and adiabatic proton transfer, respectively. In this paper, quantitative diagnostics to evaluate the degree of electron-proton nonadiabaticity are presented. Moreover, the connection between the degree of electron-proton nonadiabaticity and the physical characteristics distinguishing PCET from HAT, namely, the extent of electronic charge redistribution, is clarified. In addition, a rigorous diabatization scheme for transforming the adiabatic electronic states into charge-localized diabatic states for PCET reactions is presented. These diabatic states are constructed to ensure that the first-order nonadiabatic couplings with respect to the one-dimensional transferring hydrogen coordinate vanish exactly. Application of these approaches to the phenoxyl-phenol and benzyl-toluene systems characterizes the former as PCET and the latter as HAT. The diabatic states generated for the phenoxyl-phenol system possess physically meaningful, localized electronic charge distributions that are relatively invariant along the hydrogen coordinate. These diabatic electronic states can be combined with the associated proton vibrational states to generate the reactant and product electron-proton vibronic states that form the basis of nonadiabatic PCET theories. Furthermore, these vibronic states and the corresponding vibronic couplings may be used to calculate rate constants and kinetic isotope effects of PCET reactions.

  7. Proton transfer through hydrogen bonds in two-dimensional water layers: A theoretical study based on ab initio and quantum-classical simulations

    International Nuclear Information System (INIS)

    Bankura, Arindam; Chandra, Amalendu

    2015-01-01

    The dynamics of proton transfer (PT) through hydrogen bonds in a two-dimensional water layer confined between two graphene sheets at room temperature are investigated through ab initio and quantum-classical simulations. The excess proton is found to be mostly solvated as an Eigen cation where the hydronium ion donates three hydrogen bonds to the neighboring water molecules. In the solvation shell of the hydronium ion, the three coordinated water molecules with two donor hydrogen bonds are found to be properly presolvated to accept a proton. Although no hydrogen bond needs to be broken for transfer of a proton to such presolvated water molecules from the hydronium ion, the PT rate is still found to be not as fast as it is for one-dimensional chains. Here, the PT is slowed down as the probability of finding a water with two donor hydrogen bonds in the solvation shell of the hydronium ion is found to be only 25%-30%. The hydroxide ion is found to be solvated mainly as a complex anion where it accepts four H-bonds through its oxygen atom and the hydrogen atom of the hydroxide ion remains free all the time. Here, the presolvation of the hydroxide ion to accept a proton requires that one of its hydrogen bonds is broken and the proton comes from a neighboring water molecule with two acceptor and one donor hydrogen bonds. The coordination number reduction by breaking of a hydrogen bond is a slow process, and also the population of water molecules with two acceptor and one donor hydrogen bonds is only 20%-25% of the total number of water molecules. All these factors together tend to slow down the hydroxide ion migration rate in two-dimensional water layers compared to that in three-dimensional bulk water

  8. Slow positron studies of hydrogen activation/passivation on SiO2/Si(100) interfaces

    International Nuclear Information System (INIS)

    Lynn, K.G.; Asoka-Kumar, P.

    1991-01-01

    The hydrogen atoms are one of the most common impurity species found in semiconductor systems owing to its large diffusivity, and are easily incorporated either in a controlled process like in ion implantation or in an uncontrolled process like the one at the fabrication stage. Hydrogen can passivate dangling bonds and dislocations in these systems and hence can be used to enhance the electrical properties. In a SiO 2 /Si system, hydrogen can passivate electronic states at the interface and can alter the fixed or mobile charges in the oxide layer. Since hydrogen is present in almost all of the environments of SiO 2 /Si wafer fabrication, the activation energy of hydrogen atoms is of paramount importance to a proper understanding of SiO 2 /Si based devices and has not been measured on the technologically most important Si(100) face. There are no direct, nondestructive methods available to observe hydrogen injection into the oxide layer and subsequent diffusion. This study uses the positrons as a ''sensitive'', nondestructive probe to observe hydrogen interaction in the oxide layer and the interface region. We also describe a new way of characterizing the changes in the density of the interface states under a low-temperature annealing using positrons. 9 refs., 6 figs

  9. Slow positron studies of hydrogen activation/passivation on SiO2/Si(100) interfaces

    Science.gov (United States)

    Lynn, K. G.; Asoka-Kumar, P.

    The hydrogen atoms are one of the most common impurity species found in semiconductor systems owing to its large diffusivity, and are easily incorporated either in a controlled process like in ion implantation or in an uncontrolled process like the one at the fabrication stage. Hydrogen can passivate dangling bonds and dislocations in these systems and hence can be used to enhance the electrical properties. In a SiO2/Si system, hydrogen can passivate electronic states at the interface and can alter the fixed or mobile charges in the oxide layer. Since hydrogen is present in almost all of the environments of SiO2/Si wafer fabrication, the activation energy of hydrogen atoms is of paramount importance to a proper understanding of SiO2/Si based devices and has not been measured on the technologically most important Si(100) face. There are no direct, nondestructive methods available to observe hydrogen injection into the oxide layer and subsequent diffusion. The positrons are used as a 'sensitive', nondestructive probe to observe hydrogen interaction in the oxide layer and the interface region. A new way is described of characterizing the changes in the density of the interface states under a low temperature annealing using positrons.

  10. Ruthenium supported on magnetic nanoparticles: An efficient and recoverable catalyst for hydrogenation of alkynes and transfer hydrogenation of carbonyl compounds

    Science.gov (United States)

    Ruthenium supported on surface modified magnetic nanoparticles (NiFe2O4) has been successfully synthesized and applied for hydrogenation of alkynes at room temperature as well as transfer hydrogenation of a number of carbonyl compounds under microwave irradiation conditions. The ...

  11. Charge transfer of O3+ ions with atomic hydrogen

    International Nuclear Information System (INIS)

    Wang, J.G.; Stancil, P.C.; Turner, A.R.; Cooper, D.L.

    2003-01-01

    Charge transfer processes due to collisions of ground state O 3+ (2s 2 2p 2 P) ions with atomic hydrogen are investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) method. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial and rotational coupling matrix elements obtained with the spin-coupled valence-bond approach. Total and state-selective cross sections and rate coefficients are presented. Comparison with existing experimental and theoretical data shows our results to be in better agreement with the measurements than the previous calculations, although problems with some of the state-selective measurements are noted. Our calculations demonstrate that rotational coupling is not important for the total cross section, but for state-selective cross sections, its relevance increases with energy. For the ratios of triplet to singlet cross sections, significant departures from a statistical value are found, generally in harmony with experiment

  12. Charge transfer of O3+ ions with atomic hydrogen

    Science.gov (United States)

    Wang, J. G.; Stancil, P. C.; Turner, A. R.; Cooper, D. L.

    2003-01-01

    Charge transfer processes due to collisions of ground state O3+(2s22p 2P) ions with atomic hydrogen are investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) method. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial and rotational coupling matrix elements obtained with the spin-coupled valence-bond approach. Total and state-selective cross sections and rate coefficients are presented. Comparison with existing experimental and theoretical data shows our results to be in better agreement with the measurements than the previous calculations, although problems with some of the state-selective measurements are noted. Our calculations demonstrate that rotational coupling is not important for the total cross section, but for state-selective cross sections, its relevance increases with energy. For the ratios of triplet to singlet cross sections, significant departures from a statistical value are found, generally in harmony with experiment.

  13. The role of CFD combustion modelling in hydrogen safety management – VI: Validation for slow deflagration in homogeneous hydrogen-air-steam experiments

    Energy Technology Data Exchange (ETDEWEB)

    Cutrono Rakhimov, A., E-mail: cutrono@nrg.eu [Nuclear Research and Consultancy Group (NRG), Westerduinweg 3, 1755 ZG Petten (Netherlands); Visser, D.C., E-mail: visser@nrg.eu [Nuclear Research and Consultancy Group (NRG), Westerduinweg 3, 1755 ZG Petten (Netherlands); Holler, T., E-mail: tadej.holler@ijs.si [Jožef Stefan Institute (JSI), Jamova cesta 39, 1000 Ljubljana (Slovenia); Komen, E.M.J., E-mail: komen@nrg.eu [Nuclear Research and Consultancy Group (NRG), Westerduinweg 3, 1755 ZG Petten (Netherlands)

    2017-01-15

    Highlights: • Deflagration of hydrogen-air-steam homogeneous mixtures is modeled in a medium-scale containment. • Adaptive mesh refinement is applied on flame front positions. • Steam effect influence on combustion modeling capabilities is investigated. • Mean pressure rise is predicted with 18% under-prediction when steam is involved. • Peak pressure is evaluated with 5% accuracy when steam is involved. - Abstract: Large quantities of hydrogen can be generated during a severe accident in a water-cooled nuclear reactor. When released in the containment, the hydrogen can create a potential deflagration risk. The dynamic pressure loads resulting from hydrogen combustion can be detrimental to the structural integrity of the reactor. Therefore, accurate prediction of these pressure loads is an important safety issue. In previous papers, we validated a Computational Fluid Dynamics (CFD) based method to determine the pressure loads from a fast deflagration. The combustion model applied in the CFD method is based on the Turbulent Flame Speed Closure (TFC). In our last paper, we presented the extension of this combustion model, Extended Turbulent Flame Speed Closure (ETFC), and its validation against hydrogen deflagration experiments in the slow deflagration regime. During a severe accident, cooling water will enter the containment as steam. Therefore, the effect of steam on hydrogen deflagration is important to capture in a CFD model. The primary objectives of the present paper are to further validate the TFC and ETFC combustion models, and investigate their capability to predict the effect of steam. The peak pressures, the trends of the flame velocity, and the pressure rise with an increase in the initial steam dilution are captured reasonably well by both combustion models. In addition, the ETFC model appeared to be more robust to mesh resolution changes. The mean pressure rise is evaluated with 18% under-prediction and the peak pressure is evaluated with 5

  14. Charge transfer between O6+ and atomic hydrogen

    Science.gov (United States)

    Wu, Y.; Stancil, P. C.; Liebermann, H. P.; Buenker, R. J.; Schultz, D. R.; Hui, Y.

    2011-05-01

    The charge exchange process has been found to play a dominant role in the production of X-rays and/or EUV photons observed in cometary and planetary atmospheres and from the heliosphere. Charge transfer cross sections, especially state-selective cross sections, are necessary parameters in simulations of X-ray emission. In the present work, charge transfer due to collisions of ground state O6+(1s2 1 S) with atomic hydrogen has been investigated theoretically using the quantum-mechanical molecular-orbital close-coupling method (QMOCC). The multi-reference single- and double-excitation configuration interaction approach (MRDCI) has been applied to compute the adiabatic potential and nonadiabatic couplings, and the atomic basis sets used have been optimized with the method proposed previously to obtain precise potential data. Total and state-selective cross sections are calculated for energies between 10 meV/u and 10 keV/u. The QMOCC results are compared to available experimental and theoretical data as well as to new atomic-orbital close-coupling (AOCC) and classical trajectory Monte Carlo (CTMC) calculations. A recommended set of cross sections, based on the MOCC, AOCC, and CTMC calculations, is deduced which should aid in X-ray modeling studies.

  15. Intermolecula transfer and elimination of molecular hydrogen in thermal reactions of unsaturated organic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Suria, Sabartanty [Iowa State Univ., Ames, IA (United States)

    1995-02-10

    Two reactions which are important to coal liquefaction include intermolecular transfer and the elimination of two hydrogen atoms. We have designed several model reactions to probe the viability of several hydrogen transfer and elimination pathways. This report described studies on these reactions using organic model compounds.

  16. Hydrogen bonds as molecular timers for slow inactivation in voltage-gated potassium channels

    DEFF Research Database (Denmark)

    Pless, Stephan Alexander; Galpin, Jason D; Niciforovic, Ana P

    2013-01-01

    Voltage-gated potassium (Kv) channels enable potassium efflux and membrane repolarization in excitable tissues. Many Kv channels undergo a progressive loss of ion conductance in the presence of a prolonged voltage stimulus, termed slow inactivation, but the atomic determinants that regulate the k...... subunit(s). DOI: http://dx.doi.org/10.7554/eLife.01289.001....

  17. The diversity of atomic hydrogen in slow rotator early-type galaxies

    Science.gov (United States)

    Young, Lisa M.; Serra, Paolo; Krajnović, Davor; Duc, Pierre-Alain

    2018-06-01

    We present interferometric observations of H I in nine slow rotator early-type galaxies of the Atlas3D sample. With these data, we now have sensitive H I searches in 34 of the 36 slow rotators. The aggregate detection rate is 32 per cent ± 8 per cent, consistent with the previous work; however, we find two detections with extremely high H I masses, whose gas kinematics are substantially different from what was previously known about H I in slow rotators. These two cases (NGC 1222 and NGC 4191) broaden the known diversity of H I properties in slow rotators. NGC 1222 is a merger remnant with prolate-like rotation and, if it is indeed prolate in shape, an equatorial gas disc; NGC 4191 has two counter-rotating stellar discs and an unusually large H I disc. We comment on the implications of this disc for the formation of 2σ galaxies. In general, the H I detection rate, the incidence of relaxed H I discs, and the H I/stellar mass ratios of slow rotators are indistinguishable from those of fast rotators. These broad similarities suggest that the H I we are detecting now is unrelated to the galaxies' formation processes and was often acquired after their stars were mostly in place. We also discuss the H I non-detections; some of these galaxies that are undetected in H I or CO are detected in other tracers (e.g. FIR fine structure lines and dust). The question of whether there is cold gas in massive galaxies' scoured nuclear cores still needs work. Finally, we discuss an unusual isolated H I cloud with a surprisingly faint (undetected) optical counterpart.

  18. The Diversity of Atomic Hydrogen in Slow Rotator Early-type Galaxies

    Science.gov (United States)

    Young, Lisa M.; Serra, Paolo; Krajnović, Davor; Duc, Pierre-Alain

    2018-02-01

    We present interferometric observations of H I in nine slow rotator early-type galaxies of the ATLAS3D sample. With these data, we now have sensitive H I searches in 34 of the 36 slow rotators. The aggregate detection rate is 32% ± 8%, consistent with previous work; however, we find two detections with extremely high H I masses, whose gas kinematics are substantially different from what was previously known about H I in slow rotators. These two cases (NGC 1222 and NGC 4191) broaden the known diversity of H I properties in slow rotators. NGC 1222 is a merger remnant with prolate-like rotation and, if it is indeed prolate in shape, an equatorial gas disc; NGC 4191 has two counterrotating stellar discs and an unusually large H I disc. We comment on the implications of this disc for the formation of 2σ galaxies. In general, the H I detection rate, the incidence of relaxed H I discs, and the H I/stellar mass ratios of slow rotators are indistinguishable from those of fast rotators. These broad similarities suggest that the H I we are detecting now is unrelated to the galaxies' formation processes and was often acquired after their stars were mostly in place. We also discuss the H I nondetections; some of these galaxies that are undetected in H I or CO are detected in other tracers (e.g. FIR fine structure lines and dust). The question of whether there is cold gas in massive galaxies' scoured nuclear cores still needs work. Finally, we discuss an unusual isolated H I cloud with a surprisingly faint (undetected) optical counterpart.

  19. Microscale Enhancement of Heat and Mass Transfer for Hydrogen Energy Storage

    Energy Technology Data Exchange (ETDEWEB)

    Drost, Kevin [Oregon State Univ., Corvallis, OR (United States); Jovanovic, Goran [Oregon State Univ., Corvallis, OR (United States); Paul, Brian [Oregon State Univ., Corvallis, OR (United States)

    2015-09-30

    The document summarized the technical progress associated with OSU’s involvement in the Hydrogen Storage Engineering Center of Excellence. OSU focused on the development of microscale enhancement technologies for improving heat and mass transfer in automotive hydrogen storage systems. OSU’s key contributions included the development of an extremely compact microchannel combustion system for discharging hydrogen storage systems and a thermal management system for adsorption based hydrogen storage using microchannel cooling (the Modular Adsorption Tank Insert or MATI).

  20. Electron capture in slow collisions of multicharged ions with hydrogen atoms using merged beams

    International Nuclear Information System (INIS)

    Havener, C.C.; Nesnidal, M.P.; Porter, M.R.; Phaneuf, R.A.

    1991-01-01

    Absolute total electron-capture cross-section mesurements are reported for collisions of O 3+ and O 4+ with atomic hydrogen in the energy range 1-1000 eV /amu using merged beams. The data are compared with available coupled-states theoretical calculations. (orig.)

  1. Asymmetric transfer hydrogenation by synthetic catalysts in cancer cells

    Science.gov (United States)

    Coverdale, James P. C.; Romero-Canelón, Isolda; Sanchez-Cano, Carlos; Clarkson, Guy J.; Habtemariam, Abraha; Wills, Martin; Sadler, Peter J.

    2018-03-01

    Catalytic anticancer metallodrugs active at low doses could minimize side-effects, introduce novel mechanisms of action that combat resistance and widen the spectrum of anticancer-drug activity. Here we use highly stable chiral half-sandwich organometallic Os(II) arene sulfonyl diamine complexes, [Os(arene)(TsDPEN)] (TsDPEN, N-(p-toluenesulfonyl)-1,2-diphenylethylenediamine), to achieve a highly enantioselective reduction of pyruvate, a key intermediate in metabolic pathways. Reduction is shown both in aqueous model systems and in human cancer cells, with non-toxic concentrations of sodium formate used as a hydride source. The catalytic mechanism generates selectivity towards ovarian cancer cells versus non-cancerous fibroblasts (both ovarian and lung), which are commonly used as models of healthy proliferating cells. The formate precursor N-formylmethionine was explored as an alternative to formate in PC3 prostate cancer cells, which are known to overexpress a deformylase enzyme. Transfer-hydrogenation catalysts that generate reductive stress in cancer cells offer a new approach to cancer therapy.

  2. Guiding of slow neon and molecular hydrogen ions through nanocapillaries in PET

    International Nuclear Information System (INIS)

    Stolterfoht, N.; Hellhammer, R.; Sobocinski, P.; Pesic, Z.D.; Bundesmann, J.; Sulik, B.; Shah, M.B.; Dunn, K.; Pedregosa, J.; McCullough, R.W.

    2005-01-01

    The transmission profiles of atomic 3keV Ne 7+ ions and molecular 1keV H 2 + and H 3 + ions passing through nanocapillaries were studied. Capillaries with a diameter of 100nm and a length of 10μm in insulating PET polymers were used. The high aspect ratio of 100 is achieved by the method of etching ion tracks produced by high-energy xenon impact. The angular distributions of the transmitted projectiles show that the majority of ions are transported in their initial charge state along the capillary axis even when the capillaries are tilted with respect to the incident beam direction. This result indicates ion-guiding, which is produced by charge-up effects influencing the ion trajectories in a self-supporting manner. The guiding effects are found to be different for highly charged neon and singly charged molecular hydrogen. Negligible fragmentation of the molecular ions was observed

  3. Comparison methods between methane and hydrogen combustion for useful transfer in furnaces

    International Nuclear Information System (INIS)

    Ghiea, V.V.

    2009-01-01

    The advantages and disadvantages of hydrogen use by industrial combustion are critically presented. Greenhouse effect due natural water vapors from atmosphere and these produced by hydrogen industrial combustion is critically analyzed, together with problems of gas fuels containing hydrogen as the relative largest component. A comparison method between methane and hydrogen combustion for pressure loss in burner feeding pipe, is conceived. It is deduced the ratio of radiation useful heat transfer characteristics and convection heat transfer coefficients from combustion gases at industrial furnaces and heat recuperators for hydrogen and methane combustion, establishing specific comparison methods. Using criterial equations special processed for convection heat transfer determination, a calculation generalizing formula is established. The proposed comparison methods are general valid for different gaseous fuels. (author)

  4. Multi-arrangement quantum dynamics in 6D: cis-trans isomerization and 1,3-hydrogen transfer in HONO

    International Nuclear Information System (INIS)

    Luckhaus, David

    2004-01-01

    The overtone spectrum and wave packet dynamics of nitrous acid (HONO) are studied with a global six-dimensional potential energy function interpolated directly from density functional calculations together with the corresponding dipole hypersurfaces. The quantum dynamics for the cis-trans isomerization and the symmetric 1,3-hydrogen transfer are treated in full dimensionality in terms of the generalized Z-matrix discrete variable representation. For the quantum mechanical description of complicated rearrangements a new approach to multi-arrangement quantum dynamics is introduced and applied to the symmetric hydrogen exchange tunneling in cis-HONO. The cis-trans isomerization is found to be dominated by adiabatic barrier crossing with only minor tunneling contributions, but with pronounced mode selectivity. The OH-stretching overtones of trans-HONO are adiabatically almost completely separated from the OH torsional dynamics with extremely slow intramolecular energy redistribution. The 1,3-hydrogen transfer, by contrast, proceeds largely via coherent tunneling even significantly below the barrier. The process is clearly non-adiabatic (at least in terms of valence coordinates) but remains highly state specific. While the absorption spectrum of trans-HONO remains largely unaffected, OH-stretching overtones of cis-HONO (above the barrier between 2ν OH and 3ν OH ) decompose into highly fragmented absorption patterns with corresponding tunneling periods on the picosecond time scale

  5. Iron Phthalocyanine as New Efficient Catalyst for Catalytic Transfer Hydrogenation of Simple Aldehydes and Ketones

    Czech Academy of Sciences Publication Activity Database

    Bata, P.; Notheisz, F.; Klusoň, Petr; Zsigmond, A.

    2015-01-01

    Roč. 29, JAN 2015 (2015), s. 45-49 ISSN 0268-2605 Institutional support: RVO:67985858 Keywords : heterogenized complexes * catalytic transfer hydrogenation * reusable catalyst Subject RIV: CC - Organic Chemistry Impact factor: 2.452, year: 2015

  6. Space dependent neutron slowing and thermalization in monatomic hydrogen gas in the P-1 approximation

    International Nuclear Information System (INIS)

    Musazay, M.S.

    1981-01-01

    A solution to the space and energy dependent neutron transport equation in the framework of the consistent P-1 approximation is sought. The transport equation for thermal neutrons in a moderator of 1/v absorption and constant scattering cross section is changed into a set of coupled partial differential equations. The space dependent part is removed by assuming a cosine shaped flux due to a cosine shaped source at a very high energy. The resulting set of strongly coupled ordinary differential equations is decoupled by assuming expansion of collision density in the powers of a leakage parameter whose coefficients are energy and absorption dependent. These energy dependent coefficients are solutions of a set of weakly coupled differential equations. Series solutions to these differential equations in powers of epsilon and 1/epsilon, where epsilon = E/kT, E being the neutron energy and kT the moderator temperature in units of energy, are found. The properties of these solutions are studied extensively. Absorption appears as a parameter in the coefficients of the series. The difficulties arising in choosing the correct form of the asymptotic solutions are resolved by comparing slowing and thermalization. The limitations on the size of the slab and on the range of absorption are included in the analysis

  7. Electron Capture in Slow Collisions of Si4+ With Atomic Hydrogen

    Science.gov (United States)

    Joseph, D. C.; Gu, J. P.; Saha, B. C.

    2009-10-01

    In recent years the charge transfer involving Si4+ and H at low energies has drawn considerable attention both theoretically and experimentally due to its importance not only in astronomical environments but also in modern semiconductor industries. Accurate information regarding its molecular structures and interactions are essential to understand the low energy collision dynamics. Ab initio calculations are performed using the multireference single- and double-excitation configuration-interaction (MRD-CI) method to evaluate potential energies. State selective cross sections are calculate using fully quantum and semi-classical molecular-orbital close coupling (MOCC) methods in the adiabatic representation. Detail results will be presented in the conference.

  8. Study of vibrational and rapid local motions of hydrogen in the storage compound Ti0.8 Zr0.2 CrMnH3 by slow neutron scattering

    International Nuclear Information System (INIS)

    Mestnik Filho, J.

    1987-01-01

    The vibrational and the rapid local motions of hydrogen in the storage compound Ti 0,8 Zr 0,2 CrMnH 3 have been studied by slow neutron scattering with the beryllium-filter-time-of-flight spectrometer. The form of the density of states of the normal modes of vibrations in host metal does no appear to change on hydrogenation, but a shift of 25% towards lower frequencies has been observed. Debye temperatures for the metal and corresponding hydride have been estimated to be respectively (522 +- 15)K and (311 +- 10)K. An energy distribution consisting of three peeks ∼ 50mev (FWHM) wide corresponding to the energy transfer of 85, 115 and 141mev has been observed and were attributed to hydrogen local vibrations in three types of interstices wich differs in composition of Ti and Zr atoms. In the quasielastic scattering, a broadening of 15μev has been detected for the momentum transfer Q = 2,1(angstrom) -1 and for temperature T= 125 0 C. The broadening has been attributed to rapid local motions of hydrogen in a dumb-bell of lenght equal to the jump lenght for diffusion, l approx. 3(angstrom). (author) [pt

  9. Study on hydrogen transfer in coal liquefaction by tritium and carbon-14 tracers

    International Nuclear Information System (INIS)

    Nitoh, Osamu; Kabe, Toshiaki; Kabe, Yaeko.

    1985-01-01

    For the analysis of mechanism of hydrogenation and cracking of coal, the liquefaction of Taiheiyo coal using tritium labeled gaseous hydrogen and tritium labeled tetralin with small amounts of carbon-14 labeled naphthalene has been studied. Taiheiyo coal(25g) was thermally decomposed in tetralin or naphthalene solvent(75g) at 400--440 0 C under the initial hydrogen pressure of 5.9MPa for 30min with Ni-Mo-Al 2 O 3 catalyst(0--5g). The reaction mixture in an autoclave was separated by filtration, distillation and solvent extraction. Produced gas, oils and the solvent were analyzed by gas chromatography. The tritium and carbon-14 contents of separated reaction products were measured with a liquid scintilation counter to study the hydrogen transfer mechanism. The distribution of reaction products and the amount of hydrogen transfer from gas or solvent to the products were also determined. In hydrogen donor solvent such as tetralin, the coal liquefaction yield was independent from the catalyst, but the catalyst was effective in hydrocracking of preasphaltene and asphaltene. In naphthalene solvent, the coal liquefaction reaction hardly occured in the absence of the catalyst, because hydrogen transfer from both the solvent and gaseous hydrogen was scarce. Tritium distribution in the reaction products showed that complicated hydrogen exchange reactions between gaseous hydrogen, coal liquids and solvent came out by the presence of coal liquids and catalyst. The very small amounts of carbon-14 transferred to the liquefaction products showed that carbon exchange or transfer between solvent and coal did not take place. (author)

  10. Hydrogen-bond dynamics and proton transfer in nanoconfinement

    NARCIS (Netherlands)

    van der Loop, T.H.

    2015-01-01

    Proton transfer is of fundamental importance to both biology and chemistry. Much is known about proton transfer in large water volumes but often proton transfer reactions take place in very small nanometer sized volumes for example between lipid layers and in proton channels in mitochondria and

  11. Heat transfer comparison between methane and hydrogen in a spark ignited engine

    Energy Technology Data Exchange (ETDEWEB)

    Sierens, Roger; Demuynck, Joachim; Paepe, Michel de; Verhelst, Sebastian [Ghent Univ. (Belgium)

    2010-07-01

    Hydrogen is one of the alternative fuels which are being investigated at Ghent University. NO{sub x} emissions will occur at high engine loads and they are a constraint for power and efficiency optimization. The formation of NO{sub x} emissions is temperature dependent. Consequently, the heat transfer from the burning gases to the cylinder walls has to be accurately modelled if precise computer calculations of the emissions are wanted. Several engine heat transfer models exist but they have been cited to be inaccurate for hydrogen. We have measured the heat flux in a spark ignited engine with a commercially available heat flux sensor. This paper investigates the difference between the heat transfer of hydrogen and a fossil fuel, in this case methane. Measurements with the same indicated power output are compared and the effect of the heat loss on the indicated efficiency is investigated. The power output of hydrogen combustion is lowered by burning lean in contrast to using a throttle in the case of methane. Although the peak in the heat flux of hydrogen is 3 times higher compared to methane for a high engine power output, the indicated efficiency is only 3% lower. The heat loss for hydrogen at a low engine load is smaller than that of methane which results in a higher indicated efficiency. The richness of the hydrogen-air mixture has a great influence on the heat transfer process in contrast to the in-cylinder mass in the case of methane. (orig.)

  12. Synthesis and Catalytic Hydrogen Transfer Reaction of Ruthenium(II) Complex

    International Nuclear Information System (INIS)

    Son, Jung Ik; Kim, Aram; Noh, Hui Bog; Lee, Hyun Ju; Shim, Yoon Bo; Park, Kang Hyun

    2012-01-01

    The ruthenium(II) complex [Ru(bpy) 2 -(PhenTPy)] was synthesized, and used for the transfer hydrogenation of ketones and the desired products were obtained in good yield. Based on the presented results, transition-metal complexes can be used as catalysts for a wide range of organic transformations. The relationship between the electro-reduction current density and temperature are being examined in this laboratory. Attempts to improve the catalytic activity and determine the transfer hydrogenation mechanism are currently in progress. The catalytic hydrogenation of a ketone is a basic and critical process for making many types of alcohols used as the final products and precursors in the pharmaceutical, agrochemical, flavor, fragrance, materials, and fine chemicals industries. The catalytic hydrogenation process developed by Noyori is a very attractive process. Formic acid and 2-propanol have been used extensively as hydrogenation sources. The advantage of using 2-propanol as a hydrogen source is that the only side product will be acetone, which can be removed easily during the workup process. Hydrogen transfer (HT) catalysis, which generates alcohols through the reduction of ketones, is an attractive protocol that is used widely. Ruthenium(II) complexes are the most useful catalysts for the hydrogen transfer (HT) of ketones. In this method, a highly active catalytic system employs a transition metal as a catalyst to synthesize alcohols, and is a replacement for the hydrogen-using hydrogenation process. The most active system is based on Ru, Rh and Ir, which includes a nitrogen ligand that facilitates the formation of a catalytically active hydride and phosphorus

  13. Synthesis and Catalytic Hydrogen Transfer Reaction of Ruthenium(II) Complex

    Energy Technology Data Exchange (ETDEWEB)

    Son, Jung Ik; Kim, Aram; Noh, Hui Bog; Lee, Hyun Ju; Shim, Yoon Bo; Park, Kang Hyun [Pusan National University, Busan (Korea, Republic of)

    2012-01-15

    The ruthenium(II) complex [Ru(bpy){sub 2}-(PhenTPy)] was synthesized, and used for the transfer hydrogenation of ketones and the desired products were obtained in good yield. Based on the presented results, transition-metal complexes can be used as catalysts for a wide range of organic transformations. The relationship between the electro-reduction current density and temperature are being examined in this laboratory. Attempts to improve the catalytic activity and determine the transfer hydrogenation mechanism are currently in progress. The catalytic hydrogenation of a ketone is a basic and critical process for making many types of alcohols used as the final products and precursors in the pharmaceutical, agrochemical, flavor, fragrance, materials, and fine chemicals industries. The catalytic hydrogenation process developed by Noyori is a very attractive process. Formic acid and 2-propanol have been used extensively as hydrogenation sources. The advantage of using 2-propanol as a hydrogen source is that the only side product will be acetone, which can be removed easily during the workup process. Hydrogen transfer (HT) catalysis, which generates alcohols through the reduction of ketones, is an attractive protocol that is used widely. Ruthenium(II) complexes are the most useful catalysts for the hydrogen transfer (HT) of ketones. In this method, a highly active catalytic system employs a transition metal as a catalyst to synthesize alcohols, and is a replacement for the hydrogen-using hydrogenation process. The most active system is based on Ru, Rh and Ir, which includes a nitrogen ligand that facilitates the formation of a catalytically active hydride and phosphorus.

  14. Transfer of π- from hydrogen to deuterium in H2O + D2O mixtures

    International Nuclear Information System (INIS)

    Stanislaus, S.; Measday, D.F.; Vetterli, D.; Weber, P.; Aniol, K.A.; Harston, M.R.; Armstrong, D.S.

    1989-07-01

    The transfer of stopping π - mesons from hydrogen to deuterium has been investigated in mixtures of H 2 O+D 2 O as a function of D 2 O concentration. The concentration dependence of the transfer probability is similar to that observed for the gas mixtures of H 2 and D 2 but slightly more transfer is found for H 2 O+D 2 O. (Author) 17 refs., 2 tabs., 4 figs

  15. Muon transfer from muonic hydrogen to heavier atoms; Transfert de charge muonique

    Energy Technology Data Exchange (ETDEWEB)

    Dupays, A

    2004-06-01

    This work concerns muon transfer from muonic hydrogen to heavier atoms. Recently, a method of measurement of the hyperfine structure of ground-state muonic hydrogen based on the collision energy dependence of the muon transfer rate to oxygen has been proposed. This proposal is based on measurements which where performed at the Paul Scherrer Institute in the early nineties which indicate that the muon transfer from muonic hydrogen to oxygen increases by a factor of 4 going from thermal to 0.12 eV energies. The motivation of our calculations was to confirm this behaviour. To study the collision energy dependence of the muon transfer rate, we have used a time-independent close-coupling method. We have set up an hyperspherical elliptic formalism valid for nonzero total angular momentum which allows accurate computations of state-to-state reactive and charge exchange processes. We have applied this formalism to muon-transfer process to oxygen and neon. The comparison with experimental results is in both cases excellent. Finally, the neon transfer rate dependence with energy suggests to use neon instead of oxygen to perform a measurement of the hyperfine structure of muonic hydrogen. The results of accurate calculations of the muon transfer rates from muonic protium and deuterium atoms to nitrogen, oxygen and neon are also reported. Very good agreement with measured rates is obtained and for the three systems, the isotopic effect is perfectly reproduced. (author)

  16. Transfer Hydrogenation in Open-Shell Nucleotides — A Theoretical Survey

    Directory of Open Access Journals (Sweden)

    Florian Achrainer

    2014-12-01

    Full Text Available The potential of a larger number of sugar models to act as dihydrogen donors in transfer hydrogenation reactions has been quantified through the calculation of hydrogenation energies of the respective oxidized products. Comparison of the calculated energies to hydrogenation energies of nucleobases shows that many sugar fragment radicals can reduce pyrimidine bases such as uracil in a strongly exothermic fashion. The most potent reducing agent is the C3' ribosyl radical. The energetics of intramolecular transfer hydrogenation processes has also been calculated for a number of uridinyl radicals. The largest driving force for such a process is found for the uridin-C3'-yl radical, whose rearrangement to the C2'-oxidized derivative carrying a dihydrouracil is predicted to be exothermic by 61.1 kJ/mol in the gas phase.

  17. Literature research on the production, loading, flow, and heat transfer of slush hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Park, Young Moo [Dept. of Mechanical Engineering, Ajou University, Wonchon-dong san 5, Paldal-Gu, Suwon 442-749 (Korea, Republic of)

    2010-12-15

    This study summarizes the available information on slush hydrogen and answer pending engineering questions that arise in the design of slush hydrogen propellant systems. The four methods for the production of slush are discussed. For storage, slush hydrogen must be pressurized, free from impurities, and continuously upgraded. Slush flowing at low flow rates has a higher viscosity than the liquid, however at higher velocities it approaches the viscosity of neat liquid. For the entire range of natural convection and nucleate boiling, the heat transfer at the triple-point temperature and pressure is nearly the same for the liquid and slush. The natural convection from smooth surfaces for slush can be predicted using available correlations. However, for engineering analysis and design of a system involving a slush cryogenic propellant, reliable information is required on production, flow, heat transfer, and instrumentation of these fluids. Some relevant and important aspects of slush hydrogen which have not yet been fully answered are presented. (author)

  18. Insights into the Hydrogen-Atom Transfer of the Blue Aroxyl.

    Science.gov (United States)

    Bächle, Josua; Marković, Marijana; Kelterer, Anne-Marie; Grampp, Günter

    2017-10-19

    An experimental and theoretical study on hydrogen-atom transfer dynamics in the hydrogen-bonded substituted phenol/phenoxyl complex of the blue aroxyl (2,4,6-tri-tert-butylphenoxyl) is presented. The experimental exchange dynamics is determined in different organic solvents from the temperature-dependent alternating line-width effect in the continuous-wave ESR spectrum. From bent Arrhenius plots, effective tunnelling contributions with parallel heavy-atom motion are concluded. To clarify the transfer mechanism, reaction paths for different conformers of the substituted phenol/phenoxyl complex are modelled theoretically. Various DFT and post-Hartree-Fock methods including multireference methods are applied. From the comparison of experimental and theoretical data it is concluded that the system favours concerted hydrogen-atom transfer along a parabolic reaction path caused by heavy-atom motion. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. An S-N2-model for proton transfer in hydrogen-bonded systems

    DEFF Research Database (Denmark)

    Kuznetsov, A.M.; Ulstrup, Jens

    2004-01-01

    A new mechanism of proton transfer in donor-acceptor complexes with long hydrogen bonds is suggested. The transition is regarded as totally adiabatic. Two closest water molecules that move synchronously by hindered translation to and from the reaction complex are crucial. The water molecules induce...... a shift of the proton from the donor to the acceptor with simultaneous breaking/formation of hydrogen bonds between these molecules and the proton donor and acceptor. Expressions for the activation barrier and kinetic hydrogen isotope effect are derived. The general scheme is illustrated with the use...... of model molecular potentials, and with reference to the excess proton conductivity in aqueous solution....

  20. Altering intra- to inter-molecular hydrogen bonding by dimethylsulfoxide: A TDDFT study of charge transfer for coumarin 343

    Science.gov (United States)

    Liu, Xiaochun; Yin, Hang; Li, Hui; Shi, Ying

    2017-04-01

    DFT and TDDFT methods were carried out to investigate the influences of intramolecular and intermolecular hydrogen bonding on excited state charge transfer for coumarin 343 (C343). Intramolecular hydrogen bonding is formed between carboxylic acid group and carbonyl group in C343 monomer. However, in dimethylsulfoxide (DMSO) solution, DMSO 'opens up' the intramolecular hydrogen bonding and forms solute-solvent intermolecular hydrogen bonded C343-DMSO complex. Analysis of frontier molecular orbitals reveals that intramolecular charge transfer (ICT) occurs in the first excited state both for C343 monomer and complex. The results of optimized geometric structures indicate that the intramolecular hydrogen bonding interaction is strengthened while the intermolecular hydrogen bonding is weakened in excited state, which is confirmed again by monitoring the shifts of characteristic peaks of infrared spectra. We demonstrated that DMSO solvent can not only break the intramolecular hydrogen bonding to form intermolecular hydrogen bonding with C343 but also alter the mechanism of excited state hydrogen bonding strengthening.

  1. Mass and heat transfer on B7 ordered packing in hydrogen isotope separation by distillation

    International Nuclear Information System (INIS)

    Croitoru, Cornelia; Pop, Floarea; Titescu, Gheorghe; Stefanescu, Ioan; Trancota, Dan; Peculea, Marius

    2002-01-01

    This work presents theoretical and experimental data referring to mass and heat transfer on B7 ordered packing in deuterium isotope separation by distillation. The first part is devoted to the study of mass transfer in hydrogen isotopic distillation while the second one treats the mass and heat transfer in water isotopic distillation. A stationary mathematical model for the mass and heat transfer was developed based on multitubular column model with wet wall. This model allowed the calculation starting from theoretical data of the ordered packing efficiency, expressed by the transfer unit height, TUH. Also, from theoretical data the mass and heat transfer coefficients were determined. A test of the mathematical model was performed with the experimental data obtained from two laboratory installations for hydrogen isotope separation by distillation. From the first installation, experimental data concerning the B7 ordered packing efficiency were obtained for the deuterium separation by cryogenic distillation at the - 250 deg C level. With the second one data referring to the mass and heat transfer on the same packing were obtained for the deuterium separation by water distillation under vacuum at the 60 deg C level. The values of TUH, mass and heat transfer coefficients as theoretically evaluate and experimentally checked are in agreement with the respective values obtained in separation processes in chemical industry. This is the fact which endorses utilization of the model of multitubular column with wet wall for describing the transfer processes in distillation columns equipped with B7 ordered packing

  2. On the theory of excitation transfer process in slow collisions between identical particles

    International Nuclear Information System (INIS)

    Chibisov, M.I.

    1978-01-01

    Asymptotics has been investigated at R → infinity (R is internuclear distance) of exchange interaction for the quasimolecule of two identical one-electron atoms. It is shown that the theory of exchange interaction developed previously which does not take into account the symmetry on permutations of electron is not rigid. The exchange contribution to term splitting in alkali metal atoms determines the effective cross section for transfer of excitation at 10 3 K. The Van der Waals contribution is less than the exchange one. The cross section is of the order of 10 -14 cm 2 . The cross section dependence on temperature is weak, sigma approximately ln 2 T

  3. Vibrational energy transfer in hydrogen liquid and its isotopes

    International Nuclear Information System (INIS)

    Gale, G.M.; Delalande, C.

    1978-01-01

    The transfer of vibrational energy (V-V) from H 2 to isotopic impurities (HD or D 2 ) has been studied in the liquid state, between 15 and 30 K. The subsequent ralaxation (V-T) of the excited impurity by the H 2 liquid host has also been measured and contrasted with the vibrational relaxation behaviour of pure H 2 and D 2 liquids. The isothermal density dependence of both V-V and V-T transfer has been investigated in the fluid state at 30 K. High density relaxation rates are also compared to the data in the pure gases and to other available gas phase results. Measurements in the solid, near the triple-point temperature, are equally reported for each process studied. (Auth.)

  4. Hydrogen Transfer during Liquefaction of Elbistan Lignite to Biomass; Total Reaction Transformation Approach

    Science.gov (United States)

    Koyunoglu, Cemil; Karaca, Hüseyin

    2017-12-01

    Given the high cost of the tetraline solvent commonly used in liquefaction, the use of manure with EL is an important factor when considering the high cost of using tetraline as a hydrogen transfer source. In addition, due to the another cost factor which is the catalyst prices, red mud (commonly used, produced as a byproduct in the production of aluminium) is reduced cost in the work of liquefaction of coal, biomass, even coal combined biomass, corresponding that making the EL liquefaction an agenda for our country is another important factor. Conditions for liquefaction experiments conducted for hydrogen transfer from manure to coal; Catalyst concentration of 9%, liquid/solid ratio of 3/1, reaction time of 60 min, fertilizer/lignite ratio of 1/3, and the reaction temperature of 400 °C, the stirred speed of 400 rpm and the initial nitrogen pressure of 20 bar was fixed. In order to demonstrate the hydrogen, transfer from manure to coal, coal is used solely, by using tetraline (also known as a hydrogen carrier) and distilled water which is not hydrogen donor as a solvent in the co-liquefaction of experiments, and also the liquefaction conditions are carried out under an inert (N2) gas atmosphere. According to the results of the obtained liquefaction test; using tetraline solvent the total liquid product conversion percentage of the oil + gas conversion was 38.3 %, however, the results of oil+gas conversion obtained using distilled water and EL combined with manure the total liquid product conversion percentage was 7.4 %. According to the results of calorific value and elemental analysis, only the ratio of (H/C)atomic of coal obtained by using tetraline increased with the liquefaction of manure and distilled water. The reason of the increase in the amount of hydrogen due to hydrogen transfer from the manure on the solid surface of the coal, and also on the surface of the inner pore of the coal during the liquefaction, brings about the evaluation of the coal as a

  5. Ruthenacycles and Iridacycles as Catalysts for Asymmetric Transfer Hydrogenation and Racemisation

    NARCIS (Netherlands)

    Jerphagnon, Thomas; Haak, Robert; Berthiol, Florian; Gayet, Arnaud J.A.; Ritleng, Vincent; Holuigue, Alexandre; Pannetier, Nicolas; Pfeffer, Michel; Voelklin, Adeline; Lefort, Laurent; Verzijl, Gerard; Tarabiono, Chiara; Janssen, Dick B.; Minnaard, Adriaan J.; Feringa, Ben L.; Vries, Johannes G. de

    2010-01-01

    Ruthenacycles, which are easily prepared in a single step by reaction between enantiopure aromatic amines and [Ru(arene)Cl2]2 in the presence of NaOH and KPF6, are very good asymmetric transfer hydrogenation catalysts. A range of aromatic ketones were reduced using isopropanol in good yields with

  6. Charge transfer to the continuum by heavy ions in atomic hydrogen

    International Nuclear Information System (INIS)

    Sellin, I.A.

    1981-01-01

    Design and installation of an atomic hydrogen target for measurements of charge transfer to the continuum by heavy ions are discussed. The design consists of a tungsten gas cell operated at temperatures of 2500 to 2600 0 K. Initial testing is underway

  7. Graphene oxide as a catalyst for the diastereoselective transfer hydrogenation in the synthesis of prostaglandin derivatives.

    Science.gov (United States)

    Coman, Simona M; Podolean, Iunia; Tudorache, Madalina; Cojocaru, Bogdan; Parvulescu, Vasile I; Puche, Marta; Garcia, Hermenegildo

    2017-09-14

    Modification of GO by organic molecules changes its catalytic activity in the hydrogen transfer from i-propanol to enones, affecting the selectivity to allyl alcohol and diastereoselectivity to the resulting stereoisomers. It is noteworthy the system does not contain metals and is recyclable.

  8. Charge transfer between hydrogen(deuterium) ions and atoms in metal vapors

    International Nuclear Information System (INIS)

    Alvarez T, I.; Cisneros G, C.

    1981-01-01

    The current state of the experiments on charge transfer between hydrogen (deuterium) ions and atoms in metal vapors are given. Emphasis is given to describing different experimental techniques. The results of calculations if available, are compared with existing experimental data. (author)

  9. Bimetallic promotion of cooperative hydrogen transfer and heteroatom removal in coal liquefaction

    Energy Technology Data Exchange (ETDEWEB)

    Eisch, J.J.

    1992-04-07

    The ultimate objective of this research has been to uncover novel reagents and experimental conditions for heteroatom removal and hydrogen transfer processes, which would be applicable to the liquefaction of coal under low-severity conditions. To this end, one phase of this research has investigated the cleavage of carbon-heteroatom bonds involving sulfur, oxygen, nitrogen and halogen by subvalent transition-metal complexes. A second phase of the study has assessed the capability of the same transition-metal complexes or of organoaluminum Lewis acids to catalyze the cleavage of carbon-hydrogen bonds in aromatics and hence to promote hydrogen shuttling. Finally, a third phase of our work has uncovered a remarkable synergistic effect of combinations of transition metals with organoaluminum Lewis acids on hydrogen shuttling between aromatics and hydroaromatics. (VC)

  10. Momentum Transfer and Viscosity from Proton-Hydrogen Collisions Relevant to Shocks and Other Astrophysical Environments

    International Nuclear Information System (INIS)

    Schultz, David Robert; Krstic, Predrag S.; Lee, Teck G.; Raymond, J.C.

    2008-01-01

    The momentum transfer and viscosity cross sections for proton-hydrogen collisions are computed in the velocity range of ∼200-20,000 km s -1 relevant to a wide range of astrophysical environments such as SNR shocks, the solar wind, winds within young stellar objects or accretion disks, and the interstellar protons interacting with the heliosphere. A variety of theoretical approaches are used to arrive at a best estimate of these cross sections in this velocity range that smoothly connect with very accurate results previously computed for lower velocities. Contributions to the momentum transfer and viscosity cross sections from both elastic scattering and charge transfer are included

  11. Angular distribution in proton-hydrogen charge-transfer collisions

    International Nuclear Information System (INIS)

    Glembocki, O.; Halpern, A.M.

    1977-01-01

    Theoretical angular distributions for p-H charge transfer to the 1s state for energies of 1 keV and above have been examined and compared for three approximation schemes: the plane-wave Born approximation of Jackson and Schiff (JS), the Coulomb projected Born approximation of Geltman (G), and the distorted-wave eikonal approximation of one of the authors (D). The sharp dip in the forward distribution characteristic of JS is found to exist in G and D as well. As expected, G and D give identical results for all but the lowest energies. In the cases of G and D the dip, which is located close to that of JS, disappears and then reappears as the energy rises. Analytic high-energy limits for the angular dependence in both the JS and G cases have been found and are discussed

  12. Experimental and numerical investigations of a hydrogen-assisted laser-induced materials transfer procedure

    International Nuclear Information System (INIS)

    Toet, D.; Smith, P. M.; Sigmon, T. W.; Thompson, M. O.

    2000-01-01

    We present investigations of the mechanisms of a laser-induced transfer technique, which can be used for the spatially selective deposition of materials such as Si. This transfer is effected by irradiating the backside of a hydrogenated amorphous silicon film, deposited on a transparent substrate with an excimer laser pulse. The resulting release and accumulation of hydrogen at the film/substrate interface propels the silicon onto an adjacent receptor wafer. Time-resolved infrared transmission measurements indicate that the amorphous film is melted by the laser pulse and breaks into droplets during ejection. These droplets travel towards the receptor substrate and coalesce upon arrival. The transfer velocity increases as a function of fluence, the rate of increase dropping noticeably around the full melt threshold of the film. At this fluence, the transfer velocity reaches values of around 1000 m/s for typical films. Atomic force microscopy reveals that films transferred below the full melt threshold only partially cover the receptor substrate, while uniform, well-adhering films, which can be smoothed by subsequent laser irradiation, are obtained above it. Transfer of hydrogen-free Si films, on the other hand, does not occur until much higher fluences. The dynamics of the process have been simulated using a semiquantitative numerical model. In this model, hydrogen released from the melt front is instantaneously accumulated at the interface with an initial kinetic energy given by the melting temperature of Si and the enthalpy of solution. The resulting pressure accelerates the Si film, the dynamics of which are modeled using Newtonian mechanics, and the gas cools adiabatically as its kinetic energy is converted to the film's momentum. The results of the calculations are in good agreement with the experimental data. (c) 2000 American Institute of Physics

  13. Liquid Transfer Cryogenic Test Facility: Initial hydrogen and nitrogen no-vent fill data

    Science.gov (United States)

    Moran, Matthew E.; Nyland, Ted W.; Papell, S. Stephen

    1990-01-01

    The Liquid Transfer Cryogenic Test Facility is a versatile testbed for ground-based cryogenic fluid storage, handling, and transfer experimentation. The test rig contains two well instrumented tanks, and a third interchangeable tank, designed to accommodate liquid nitrogen or liquid hydrogen testing. The internal tank volumes are approx. 18, 5, and 1.2 cu. ft. Tank pressures can be varied from 2 to 30 psia. Preliminary no vent fill tests with nitrogen and hydrogen were successfully completed with the test rig. Initial results indicate that no vent fills of nitrogen above 90 percent full are achievable using this test configuration, in a 1-g environment, and with inlet liquid temperatures as high as 143 R, and an average tank wall temperature of nearly 300 R. This inlet temperature corresponds to a saturation pressure of 19 psia for nitrogen. Hydrogen proved considerably more difficult to transfer between tanks without venting. The highest temperature conditions resulting in a fill level greater than 90 percent were with an inlet liquid temperature of 34 R, and an estimated tank wall temperature of slightly more than 100 R. Saturation pressure for hydrogen at this inlet temperature is 10 psia. All preliminary no vent fill tests were performed with a top mounted full cone nozzle for liquid injection. The nozzle produces a 120 degree conical droplet spray at a differential pressure of 10 psi. Pressure in the receiving tank was held to less than 30 psia for all tests.

  14. Transfer of hydrogen and helium through corrugated, flexible tubes

    International Nuclear Information System (INIS)

    Schippl, K.

    2001-01-01

    The transfer of liquid gas or cold gas through corrugated tubes is an alternative to rigid systems for the use in reactor technique. Advantages: flexibility for easy installation; these tubes together with their associated terminations and hardware are assembled, leak-tested and evacuated at the factory. This permits simple and cost saving installation on site. All tubes are helium leak-tested with a sensitivity of 10E -9 mbar 1/sec. Following the leak test, the vacuum space is pumped down to the operation vacuum level and properly sealed. The vacuum integrity is guaranteed as a result of the high degree of cleanliness observed during production and from the use of a specially selected better material inside the vacuum space. Disadvantage: pressure is limited to 20 bar. To fulfil all rules of the reactor safety, different tests have to be done. Because of the longitudinal weld of the corrugated tube, a bursting test of different sizes gives the best information of the liability of this kind of tube. It can be shown that the bursting pressure of such a tube is more than 5 times higher than the max. working pressure

  15. Hydrogen-transfer and charge-transfer in photochemical and radiation induced reactions. Progress report, November 1, 1975--October 31, 1976

    International Nuclear Information System (INIS)

    Cohen, S.G.

    1976-10-01

    The relative importance of light absorption, quenching of triplet, and hydrogen transfer repair has been examined in retardation by mercaptans of photoreduction of aromatic ketones by alcohols. In the reduction of benzophenone by 2-propanol, retardation is efficient and, after correction for the first two effects, is due entirely to hydrogen-transfer repair, as indicated by deuterium labeling. In reduction of acetophenone by α-methylbenzyl alcohol, repair by hydrogen transfer is also operative. In reduction of benzophenone by benzhydrol, retardation is less efficient and is due to quenching, as the ketyl radical does not abstract hydrogen from mercaptan rapidly in competition with coupling. Deuterium isotope effects are discussed in terms of competitive reactions. Photoreduction of benzophenone by 2-butylamine and by triethylamine is retarded by aromatic mercaptans and disulfides. Of the retardation not due to light absorption and triplet quenching by the sulfur compounds, half is due to hydrogen-transfer repair, as indicated by racemization and deuterium labeling. The remainder is attributed to quenching by the sulfur compound of the charge-transfer-complex intermediate. Photoreduction by primary and secondary amines, but not by tertiary amines, is accelerated by aliphatic mercaptans. The acceleration is attributed to catalysis of hydrogen transfer by the mercaptan in the charge-transfer complex. The effect is large in hydrocarbon solvent, less in polar organic solvents and absent in water

  16. Hydrogen transfer in Pb–Li forced convection flow with permeable wall

    Energy Technology Data Exchange (ETDEWEB)

    Fukada, Satoshi, E-mail: sfukada@nucl.kyushu-u.ac.jp; Muneoka, Taiki; Kinjyo, Mao; Yoshimura, Rhosuke; Katayama, Kazunari

    2015-10-15

    Highlights: • The paper presents experimental and analytical results of Pb–Li eutectic alloy forced convection flow. • Analytical results are in good agreement with ones of hydrogen permeation in Pb–Li forced convection flow. • The results are useful for the design of liquid blanket of fusion reactors. - Abstract: Transient- or steady-state hydrogen permeation from a primary fluid of Li{sub 17}Pb{sub 83} (Pb–Li) through a permeable tube of Inconel-625 alloy to a secondary Ar purge is investigated experimentally under a forced convection flow in a dual cylindrical tube system. Results of the overall hydrogen permeation flux are correlated in terms of diffusivity, solubility and an average axial velocity of Pb–Li and diffusivity and solubility of the solid wall. Analytical solutions under proper assumptions are derived to simulate the transient- and steady-state rates of the overall hydrogen permeation, and close agreement is obtained between experiment and analysis. Two things are clarified from the comparison: (i) how the steady-state permeation rate is affected by the mass-transfer properties and the average velocity of Pb–Li and the properties of Inconel-625, and (ii) how its transient behavior is done by the diffusivity of the two materials. The results obtained here will give important information to estimate or to analyze the tritium transfer rate in fluidized Pb–Li blankets of DEMO or the future commercial fusion reactors.

  17. Catalytic Transfer Hydrogenation of Furfural to Furfuryl Alcohol with Recyclable Al-Zr@Fe Mixed Oxides

    DEFF Research Database (Denmark)

    He, Jian; Li, Hu; Riisager, Anders

    2017-01-01

    A series of magnetic, acid/base bifunctional Al–Zr@Fe3O4 catalysts were successfully prepared by a facile coprecipitation method and utilized in the catalytic transfer hydrogenation (CTH) of furfural to furfuryl alcohol with 2-propanol as hydrogen source. The physicochemical properties and morpho......A series of magnetic, acid/base bifunctional Al–Zr@Fe3O4 catalysts were successfully prepared by a facile coprecipitation method and utilized in the catalytic transfer hydrogenation (CTH) of furfural to furfuryl alcohol with 2-propanol as hydrogen source. The physicochemical properties...... with a Al3+/Zr4+/Fe3O4 molar ratio of 21:9:3 was found to exhibit a high furfuryl alcohol yield of 90.5 % in the CTH from furfural at 180 °C after 4 h with a comparatively low activation energy of 45.3 kJ mol−1, as calculated from the Arrhenius equation. Moreover, leaching and recyclability tests confirmed...

  18. Ruthenium(II) pincer complexes with oxazoline arms for efficient transfer hydrogenation reactions

    KAUST Repository

    Chen, Tao

    2012-08-01

    Well-defined P NN CN pincer ruthenium complexes bearing both strong phosphine and weak oxazoline donors were developed. These easily accessible complexes exhibit significantly better catalytic activity in transfer hydrogenation of ketones compared to their PN 3P analogs. These reactions proceed under mild and base-free conditions via protonation- deprotonation of the \\'NH\\' group in the aromatization-dearomatization process. © 2012 Elsevier Ltd. All rights reserved.

  19. The asymmetric total synthesis of (+)- and (-)-trypargine via Noyori asymmetric transfer hydrogenation

    International Nuclear Information System (INIS)

    Pilli, Ronaldo A.; Rodrigues Junior, Manoel Trindade

    2009-01-01

    A concise and efficient total synthesis of (+)- and (-)-trypargine (6 steps and 38% overall yield), a 1-substituted β-carboline guanidine alkaloid isolated from the skin of the African frog K. senegalensis, was developed based on the construction of the b-carboline moiety via Bischler-Napieralski reaction and the enantioselective reduction of the dihydro-β-carboline intermediate via an asymmetric transfer hydrogenation reaction using Noyori's protocol. (author)

  20. Hydrogen production by using Rhodobacter capsulatus mutants with genetically modified electron transfer chains

    Energy Technology Data Exchange (ETDEWEB)

    OEztuerk, Yavuz; Yuecel, Meral; Guenduez, Ufuk [Department of Biology, Middle East Technical University, Ankara (Turkey); Daldal, Fevzi [Department of Biology, Plant Science Institute, University of Pennsylvania, Philadelphia, PA 19104-6018 (United States); Mandaci, Sevnur [TUEBITAK Research Institute for Genetic Engineering and Biotechnology, Gebze Kocaeli 41470 (Turkey); Tuerker, Lemi [Department of Chemistry, Middle East Technical University, Ankara (Turkey); Eroglu, Inci [Department of Chemical Engineering, Middle East Technical University, Ankara (Turkey)

    2006-09-15

    In Rhodobacter capsulatus excess reducing equivalents generated by organic acid oxidation is consumed to reduce protons into hydrogen by the activity of nitrogenase. Nitrogenase serves as a redox-balancing tool and is activated by the RegB/RegA global regulatory system during photosynthetic growth. The terminal cytochrome cbb{sub 3} oxidase and the redox state of the cyclic photosynthetic electron transfer chain serve redox signaling to the RegB/RegA regulatory systems in Rhodobacter. In this study, hydrogen production of various R. capsulatus strains harboring the genetically modified electron carrier cytochromes or lacking the cyt cbb{sub 3} oxidase or the quinol oxidase were compared with the wild type. The results indicated that hydrogen production of mutant strains with modified electron carrier cytochromes decreased 3- to 4-fold, but the rate of hydrogen production increased significantly in a cbb{sub 3}{sup -} mutant. Moreover, hydrogen production efficiency of various R. capsulatus strains further increased by inactivation of uptake hydrogenase genes. (author)

  1. Study of reactive transfer of hydrogen within intact clay-rock

    International Nuclear Information System (INIS)

    Didier, M.

    2012-01-01

    Hydrogen gas will be produced by anaerobic corrosion of radioactive waste containers in the geological repository. This gas could affect the geological layer (Callovo-Oxfordian) stability, first due to its reductive capacity and then also due to its continuous production for about 100,000 years. The local pressure increase could affect the properties of hydro-gaseous dynamic of hydrogen transfers. The reductive capacity of H 2 could change the redox properties of the Callovo-Oxfordian and the barrier hydraulic properties, and therefore (1) its mineralogy, (2) the speciation of outgoing radionuclides and (3) their transfer. Moreover, if the hydrogen gas transport is difficult within the geological layer, the pressure increase could cause cracking and create preferential pathways for radionuclides migration. An experimental device was developed to measure the entry pressure of H 2 (g) and transport parameters as permeability and diffusion coefficient through the CO x . The entry pressure is estimated to be between 49 and 63 bar. Knowing that the maximum expected pressure is about 80 bar, there may therefore be a displacement of hydrogen gas into the water saturated clay-rock. Moreover, for a saturation greater than 0.90 and at T = 23 C, permeability is measured to be close to 10 -23 m 2 and the diffusion coefficient to be as low as 10 -12 m 2 .s -1 . Therefore hydrogen gas will move slowly in the geological layer, for example it will take about 31,710 years to go through one meter of clay-rock by diffusion. These transport parameters are found to depend mainly on the sample water saturation and not much on temperature. Regarding hydrogen reactivity, under conditions close to those in the storage, H 2 will reduce up to 9 wt% of structural Fe (III) at 90 C and PH 2 = 5 bar. This reaction is not complete and hydrogen gas will mainly sorb on the material, with a sorption up to 0.05 wt% at 90 C and PH 2 = 0.45 bar. This process depends strongly on the water saturation of

  2. Classical/quantum correspondence in state selective charge transfer and excitation reactions involving highly charged ions and hydrogen

    International Nuclear Information System (INIS)

    Purkait, M

    2009-01-01

    State selective charge transfer and excitation cross sections for collisions of Ne q+ (q = 1-10) with atomic hydrogen are calculated within the framework of Classical Trajectory Monte Carlo (CTMC) method and Boundary Corrected Continuum Intermediate State (BCCIS) approximation.

  3. A forced convective heat transfer model for two-phase hydrogen systems

    International Nuclear Information System (INIS)

    Pasch, J.; Anghaie, S.

    2007-01-01

    A consistent event in the use of hydrogen in nuclear thermal propulsion is film boiling, in which the wall heat is so large that liquid can not exist at the wall. Instead, vapor interfaces with the wall and liquid flows in the core of the duct. To better understand heat transfer under these conditions, a select set of hydrogen test data from these conditions are analyzed. This paper presents the results of an extensive literature search for film boiling heat transfer models. A representative cross-section of these models is then applied to the data. The heat transfer coefficient data were found difficult to predict and highly dependent upon the flow regime. Pre-critical heat flux correlations completely fail to predict the heat transfer of inverted film boiling conditions. Pool boiling models for inverted film boiling also are inappropriate. Current force convection models for inverted film boiling, while far better than the previous two classes of models, still generate large predictive errors. It is recommended that for the inverted annular film boiling flow regime the modified equilibrium bulk Dittus-Boelter model be used. For agitated inverted annular film boiling and dispersed film boiling regimes associated with positive equilibrium qualities, the Hendricks model should be used. (A.C.)

  4. Specific features of hydrogen boiling heat transfer on the AMg-6 alloy massive heater

    International Nuclear Information System (INIS)

    Kirichenko, Yu.A.; Kozlov, S.M.; Rusanov, K.V.; Tyurina, E.G.

    1989-01-01

    Heat transfer and nucleate burns-out saturated with hydrogen at a plate heater (thickness-13 mm, diameter of heat-transferring surface - 30 mm) made of an aluminium alloy with the low value of a heat assimilation coefficient in the pressure range from 7.2x10 3 to 6x10 5 Pa is experimentally investigated. Value of start of boiling characteristics and heat transfer coefficients during nucleate burn-out, as well as the first critical densities of a heat flux and temperature heads are obtained. Existence of certain differrences of heat exchange during boiling is shown using a massive heater made of low-heat-conductive material in comparison with other cases of hydrogen boiling. Hypothesis concerning the existence of so-called mixed boiling on the heat transfer surface, which has been detected earlier only in helium boiling, as well as concerning possible reasons of stability of film boiling ficii in preburn-out region of heat duty is discussed

  5. Kinetics and the mass transfer mechanism of hydrogen sulfide removal by biochar derived from rice hull.

    Science.gov (United States)

    Shang, Guofeng; Liu, Liang; Chen, Ping; Shen, Guoqing; Li, Qiwu

    2016-05-01

    The biochar derived from rice hull was evaluated for its abilities to remove hydrogen sulfide (H2S) from gas phase. The surface area and pH of the biochar were compared. The biochar derived from rice hull was evaluated for its abilities to remove hydrogen sulfide (H2S) from gas phase. The surface area and pH of the biochar were compared. The different pyrolysis temperature has great influence on the adsorption of H2S. At the different pyrolysis temperature, the H2S removal efficiency of rice hull-derived biochar was different. The adsorption capacities of biochar were 2.09 mg·g(-1), 2.65 mg·g(-1), 16.30 mg·g(-1), 20.80 mg·g(-1), and 382.70 mg·g(-1), which their pyrolysis temperatures were 100 °C, 200 °C, 300 °C, 400 °C and 500 °C respectively. Based on the Yoon-Nelson model, it analyzed the mass transfer mechanism of hydrogen sulfide adsorption by biochar. The paper focuses on the biochar derived from rice hull-removed hydrogen sulfide (H2S) from gas phase. The surface area and pH of the biochar were compared. The different pyrolysis temperatures have great influence on the adsorption of H2S. At the different pyrolysis temperatures, the H2S removal efficiency of rice hull-derived biohar was different. The adsorption capacities of biochar were 2.09, 2.65, 16.30, 20.80, and 382.70 mg·g(-1), and their pyrolysis temperatures were 100, 200, 300, 400, and 500 °C, respectively. Based on the Yoon-Nelson model, the mass transfer mechanism of hydrogen sulfide adsorption by biochar was analyzed.

  6. Reactivity of hydropersulfides toward the hydroxyl radical unraveled: disulfide bond cleavage, hydrogen atom transfer, and proton-coupled electron transfer.

    Science.gov (United States)

    Anglada, Josep M; Crehuet, Ramon; Adhikari, Sarju; Francisco, Joseph S; Xia, Yu

    2018-02-14

    Hydropersulfides (RSSH) are highly reactive as nucleophiles and hydrogen atom transfer reagents. These chemical properties are believed to be key for them to act as antioxidants in cells. The reaction involving the radical species and the disulfide bond (S-S) in RSSH, a known redox-active group, however, has been scarcely studied, resulting in an incomplete understanding of the chemical nature of RSSH. We have performed a high-level theoretical investigation on the reactions of the hydroxyl radical (˙OH) toward a set of RSSH (R = -H, -CH 3 , -NH 2 , -C(O)OH, -CN, and -NO 2 ). The results show that S-S cleavage and H-atom abstraction are the two competing channels. The electron inductive effect of R induces selective ˙OH substitution at one sulfur atom upon S-S cleavage, forming RSOH and ˙SH for the electron donating groups (EDGs), whereas producing HSOH and ˙SR for the electron withdrawing groups (EWGs). The H-Atom abstraction by ˙OH follows a classical hydrogen atom transfer (hat) mechanism, producing RSS˙ and H 2 O. Surprisingly, a proton-coupled electron transfer (pcet) process also occurs for R being an EDG. Although for RSSH having EWGs hat is the leading channel, S-S cleavage can be competitive or even dominant for the EDGs. The overall reactivity of RSSH toward ˙OH attack is greatly enhanced with the presence of an EDG, with CH 3 SSH being the most reactive species found in this study (overall rate constant: 4.55 × 10 12 M -1 s -1 ). Our results highlight the complexity in RSSH reaction chemistry, the extent of which is closely modulated by the inductive effect of the substituents in the case of the oxidation by hydroxyl radicals.

  7. Magnetic nickel ferrite nanoparticles as highly durable catalysts for catalytic transfer hydrogenation of bio-based aldehydes

    DEFF Research Database (Denmark)

    He, Jian; Yang, Song; Riisager, Anders

    2018-01-01

    Magnetic nickel ferrite (NiFe2O4) nanoparticles were exploited as stable and easily separable heterogeneous catalysts for catalytic transfer hydrogenation (CTH) of furfural to furfuryl alcohol with 2-propanol as both the hydrogen source and the solvent providing 94% product yield at 180 degrees C...

  8. Numerical and experimental analysis of heat transfer in injector plate of hydrogen peroxide hybrid rocket motor

    Science.gov (United States)

    Cai, Guobiao; Li, Chengen; Tian, Hui

    2016-11-01

    This paper is aimed to analyze heat transfer in injector plate of hydrogen peroxide hybrid rocket motor by two-dimensional axisymmetric numerical simulations and full-scale firing tests. Long-time working, which is an advantage of hybrid rocket motor over conventional solid rocket motor, puts forward new challenges for thermal protection. Thermal environments of full-scale hybrid rocket motors designed for long-time firing tests are studied through steady-state coupled numerical simulations of flow field and heat transfer in chamber head. The motor adopts 98% hydrogen peroxide (98HP) oxidizer and hydroxyl-terminated poly-butadiene (HTPB) based fuel as the propellants. Simulation results reveal that flowing liquid 98HP in head oxidizer chamber could cool the injector plate of the motor. The cooling of 98HP is similar to the regenerative cooling in liquid rocket engines. However, the temperature of the 98HP in periphery portion of the head oxidizer chamber is higher than its boiling point. In order to prevent the liquid 98HP from unexpected decomposition, a thermal protection method for chamber head utilizing silica-phenolics annular insulating board is proposed. The simulation results show that the annular insulating board could effectively decrease the temperature of the 98HP in head oxidizer chamber. Besides, the thermal protection method for long-time working hydrogen peroxide hybrid rocket motor is verified through full-scale firing tests. The ablation of the insulating board in oxygen-rich environment is also analyzed.

  9. Liquid Acquisition Device Hydrogen Outflow Testing on the Cryogenic Propellant Storage and Transfer Engineering Design Unit

    Science.gov (United States)

    Zimmerli, Greg; Statham, Geoff; Garces, Rachel; Cartagena, Will

    2015-01-01

    As part of the NASA Cryogenic Propellant Storage and Transfer (CPST) Engineering Design Unit (EDU) testing with liquid hydrogen, screen-channel liquid acquisition devices (LADs) were tested during liquid hydrogen outflow from the EDU tank. A stainless steel screen mesh (325x2300 Dutch T will weave) was welded to a rectangular cross-section channel to form the basic LAD channel. Three LAD channels were tested, each having unique variations in the basic design. The LADs fed a common outflow sump at the aft end of the 151 cu. ft. volume aluminum tank, and included a curved section along the aft end and a straight section along the barrel section of the tank. Wet-dry sensors were mounted inside the LAD channels to detect when vapor was ingested into the LADs during outflow. The use of warm helium pressurant during liquid hydrogen outflow, supplied through a diffuser at the top of the tank, always led to early breakdown of the liquid column. When the tank was pressurized through an aft diffuser, resulting in cold helium in the ullage, LAD column hold-times as long as 60 minutes were achieved, which was the longest duration tested. The highest liquid column height at breakdown was 58 cm, which is 23 less than the isothermal bubble-point model value of 75 cm. This paper discusses details of the design, construction, operation and analysis of LAD test data from the CPST EDU liquid hydrogen test.

  10. Natural spectroscopic hydrogen isotope transfer in alcohol dehydrogenase-catalysed reduction

    International Nuclear Information System (INIS)

    Ben-Li Zhang; Pionnier, S.

    2002-01-01

    The enantiomeric purity of natural α-mono deuterated enantiomers, (R) and (S)ethanol-1-d 1 , in the alcohol produced by sugar fermentation with yeast was studied by 2 H NMR using their esters derived from optical mandelic acid. The results of isotope tracing experiments show that the transfer pathways of the two eantiotopic hydrogens of the methylene group are different. It was observed that (S)-deuterium comes only from the medium water. The (R)-deuterium transferred by NADH in alcohol dehydrogenase reduction of the acetaldehyde is complex origin. Some of them originates from carbon bound hydrogen of the sugar, especially from C(4) position of glucose and most of them comes from water. Only a small portion of the NADH deuterium is incorporated indirectly from water through enzyme catalysed exchange between the pro-S site of NADH and flavin. When a carbonyl compound (ethyl acetoacetate) was reduced under the same conditions during the alcoholic fermentation, among the NADH-transferred deuterium, only a small portion comes from water while most comes from the unexchangeable positions of the glucose. (author)

  11. Excitation and charge transfer in low-energy hydrogen atom collisions with neutral iron

    Science.gov (United States)

    Barklem, P. S.

    2018-05-01

    Data for inelastic processes due to hydrogen atom collisions with iron are needed for accurate modelling of the iron spectrum in late-type stars. Excitation and charge transfer in low-energy Fe+H collisions is studied theoretically using a previously presented method based on an asymptotic two-electron linear combination of atomic orbitals model of ionic-covalent interactions in the neutral atom-hydrogen-atom system, together with the multi-channel Landau-Zener model. An extensive calculation including 166 covalent states and 25 ionic states is presented and rate coefficients are calculated for temperatures in the range 1000-20 000 K. The largest rates are found for charge transfer processes to and from two clusters of states around 6.3 and 6.6 eV excitation, corresponding in both cases to active 4d and 5p electrons undergoing transfer. Excitation and de-excitation processes among these two sets of states are also significant. Full Tables and rate coefficient data are only available at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/612/A90

  12. Graphene Derivative in Magnetically Recoverable Catalyst Determines Catalytic Properties in Transfer Hydrogenation of Nitroarenes to Anilines with 2-Propanol.

    Science.gov (United States)

    Das, Vijay Kumar; Mazhar, Sumaira; Gregor, Lennon; Stein, Barry D; Morgan, David Gene; Maciulis, Nicholas A; Pink, Maren; Losovyj, Yaroslav; Bronstein, Lyudmila M

    2018-06-14

    Here, we report transfer hydrogenation of nitroarenes to aminoarenes using 2-propanol as a hydrogen source and Ag-containing magnetically recoverable catalysts based on partially reduced graphene oxide (pRGO) sheets. X-ray diffraction and X-ray photoelectron spectroscopy data demonstrated that, during the one-pot catalyst synthesis, formation of magnetite nanoparticles (NPs) is accompanied by the reduction of graphene oxide (GO) to pRGO. The formation of Ag 0 NPs on top of magnetite nanoparticles does not change the pRGO structure. At the same time, the catalyst structure is further modified during the transfer hydrogenation, leading to a noticeable increase of sp 2 carbons. These carbons are responsible for the adsorption of substrate and intermediates, facilitating a hydrogen transfer from Ag NPs and creating synergy between the components of the catalyst. The nitroarenes with electron withdrawing and electron donating substituents allow for excellent yields of aniline derivatives with high regio and chemoselectivity, indicating that the reaction is not disfavored by these functionalities. The versatility of the catalyst synthetic protocol was demonstrated by a synthesis of an Ru-containing graphene derivative based catalyst, also allowing for efficient transfer hydrogenation. Easy magnetic separation and stable catalyst performance in the transfer hydrogenation make this catalyst promising for future applications.

  13. Non-catalytic transfer hydrogenation in supercritical CO2 for coal liquefaction

    Science.gov (United States)

    Elhussien, Hussien

    This thesis presents the results of the investigation on developing and evaluating a low temperature (coal dissolution in supercritical CO2. The main idea behind the thesis was that one hydrogen atom from water and one hydrogen atom from the hydrogen transfer agent (HTA) were used to hydrogenate the coal. The products of coal dissolution were non-polar and polar while the supercritical CO2, which enhanced the rates of hydrogenation and dissolution of the non-polar molecules and removal from the reaction site, was non-polar. The polar modifier (PM) for CO2 was added to the freed to aid in the dissolution and removal of the polar components. The addition of a phase transfer agent (PTA) allowed a seamless transport of the ions and by-product between the aqueous and organic phases. DDAB, used as the PTA, is an effective phase transfer catalyst and showed enhancement to the coal dissolution process. COAL + DH- +H 2O → COAL.H2 + DHO-- This process has a great feature due to the fact that the chemicals were obtained without requir-ing to first convert coal to CO and H2 units as in indirect coal liquefaction. The experiments were conducted in a unique reactor set up that can be connected through two lines. one line to feed the reactor with supercritical CO 2 and the other connected to gas chromatograph. The use of the supercritical CO2 enhanced the solvent option due to the chemical extraction, in addition to the low environmental impact and energy cost. In this thesis the experiment were conducted at five different temperatures from atmos-pheric to 140°C, 3000 - 6000 psi with five component of feed mixture, namely water, HTA, PTA, coal, and PM in semi batch vessels reactor system with a volume of 100 mL. The results show that the chemicals were obtained without requiring to first convert coal to CO and H2 units as in indirect coal liquefaction. The results show that the conversion was found to be 91.8% at opti-mum feed mixtures values of 3, 1.0 and 5.4 for water: PM

  14. Sensitive non-radioactive determination of aminotransferase stereospecificity for C-4' hydrogen transfer on the coenzyme.

    Science.gov (United States)

    Jomrit, Juntratip; Summpunn, Pijug; Meevootisom, Vithaya; Wiyakrutta, Suthep

    2011-02-25

    A sensitive non-radioactive method for determination of the stereospecificity of the C-4' hydrogen transfer on the coenzymes (pyridoxal phosphate, PLP; and pyridoxamine phosphate, PMP) of aminotransferases has been developed. Aminotransferase of unknown stereospecificity in its PLP form was incubated in (2)H(2)O with a substrate amino acid resulted in PMP labeled with deuterium at C-4' in the pro-S or pro-R configuration according to the stereospecificity of the aminotransferase tested. The [4'-(2)H]PMP was isolated from the enzyme protein and divided into two portions. The first portion was incubated in aqueous buffer with apo-aspartate aminotransferase (a reference si-face specific enzyme), and the other was incubated with apo-branched-chain amino acid aminotransferase (a reference re-face specific enzyme) in the presence of a substrate 2-oxo acid. The (2)H at C-4' is retained with the PLP if the aminotransferase in question transfers C-4' hydrogen on the opposite face of the coenzyme compared with the reference aminotransferase, but the (2)H is removed if the test and reference aminotransferases catalyze hydrogen transfer on the same face. PLP formed in the final reactions was analyzed by LC-MS/MS for the presence or absence of (2)H. The method was highly sensitive that for the aminotransferase with ca. 50 kDa subunit molecular weight, only 2mg of the enzyme was sufficient for the whole test. With this method, the use of radioactive substances could be avoided without compromising the sensitivity of the assay. Copyright © 2011 Elsevier Inc. All rights reserved.

  15. Molecular projectile effects for kinetic electron emission from carbon- and metal-surfaces bombarded by slow hydrogen ions

    Science.gov (United States)

    Cernusca, S.; Winter, HP.; Aumayr, F.; Díez Muiño, R.; Juaristi, J. I.

    2003-04-01

    Total yields for kinetic electron emission (KE) have been determined for impact of hydrogen monomer-, dimer- and trimer-ions (impact energy armour in magnetic fusion devices. The data are compared with KE yields for impact of same projectile ions on atomically clean highly oriented pyrolytic graphite and polycrystalline gold. We discuss KE yields for the different targets if bombarded by equally fast molecular and atomic ions in view to "projectile molecular effects" (different yields per proton for equally fast atomic and molecular ions), which are expected from calculated electronic projectile energy losses in these target materials.

  16. Mesoporous Silica-Supported Sulfonyldiamine Ligand for Microwave-Assisted Transfer Hydrogenation

    Directory of Open Access Journals (Sweden)

    Shaheen M. Sarkar

    2015-01-01

    Full Text Available N-Sulfonyl-1,2-diamine ligands, derived from 1,2-diaminocyclohexane and 1,2-diaminopropane, were immobilized onto mesoporous SBA-15 silica. The SBA-15-supported sulfonyldiamine-Ru complex was prepared in situ under microwave heating at 60 W for 3 min. The prepared sulfonyldiamine-Ru complex was used as an efficient catalyst for the transfer hydrogenation of ketones to the corresponding secondary alcohols. The heterogeneous complex showed extremely high catalytic activity with 99% conversion rate under microwave heating condition. The complexes were regenerated by simple filtration and reused two times without significant loss of activity.

  17. Some recent results on μ-transfer in systems with bound hydrogen

    International Nuclear Information System (INIS)

    Knight, J.D.; Mausner, L.F.; Orth, C.J.; Schillaci, M.E.; Naumann, R.A.; Schmidt, G.

    1977-01-01

    Preliminary results are given for two sets of experiments conducted in order to obtain information on the role of bound hydrogen in possible μ transfer processes by comparisons of muonic Lyman spectra. Muonic x-ray intensity patterns of Cl in CCl 4 , CH 2 Cl 2 and a CCl 4 + C 8 H 18 mixture. Secondly the same type of experiment was performed but with F as the test element. Muonic x-ray spectra of the normal and deutero forms of a compound were compared

  18. State-selective charge transfer cross sections for light ion impact of atomic hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Schultz, D. R. [University of North Texas; Stancil, Phillip C. [University of Georgia, Athens; Havener, C. C. [Oak Ridge National Laboratory (ORNL)

    2015-01-01

    Owing to the utility of diagnosing plasma properties such as impurity concentration and spatial distribution, and plasma temperature and rotation, by detection of photon emission following capture of electrons from atomic hydrogen to excited states of multiply charged ions, new calculations of state-selective charge transfer involving light ions have been carried out using the atomic orbital close-coupling and the classical trajectory Monte Carlo methods. By comparing these with results of other approaches applicable in a lower impact energy regime, and by benchmarking them using key experimental data, knowledge of the cross sections can be made available across the range parameters needed by fusion plasma diagnostics.

  19. Hydrogen transfer reduction of polyketones catalyzed by iridium complexes: a novel route towards more biocompatible materials.

    Science.gov (United States)

    Milani, Barbara; Crottib, Corrado; Farnetti, Erica

    2008-09-14

    Transfer hydrogenation from 2-propanol to CO/4-methylstyrene and CO/styrene polyketones was catalyzed by [Ir(diene)(N-N)X] (N-N = nitrogen chelating ligand; X = halogen) in the presence of a basic cocatalyst. The reactions were performed using dioxane as cosolvent, in order to overcome problems due to low polyketone solubility. The polyalcohols were obtained in yields up to 95%, the conversions being markedly dependent on the nature of the ligands coordinated to iridium as well as on the experimental conditions.

  20. Bane of Hydrogen-Bond Formation on the Photoinduced Charge-Transfer Process in Donor–Acceptor Systems

    KAUST Repository

    Alsam, Amani Abdu

    2017-03-14

    Controlling the ultrafast dynamical process of photoinduced charge transfer at donor acceptor interfaces remains a major challenge for physical chemistry and solar cell communities. The process is complicated by the involvement of other complex dynamical processes, including hydrogen bond formation, energy transfer, and solvation dynamics occurring on similar time scales. In this study, we explore the remarkable impact of hydrogen-bond formation on the interfacial charge transfer between a negatively charged electron donating anionic porphyrin and a positively charged electron accepting pi-conjugated polymer, as a model system in solvents with different polarities and capabilities for hydiogen bonding using femtosecond transient absorption spectroscopy. Unlike the conventional understanding of the key role of hydrogen bonding in promoting the charge-transfer process, our steadystate and time-resolved results reveal that the intervening hydrogen-bonding environment and, consequently, the probable longer spacing between the donor and acceptor molecules significantly hinders the charge-transfer process between them. These results show that site-specific hydrogen bonding and geometric considerations between donor and acceptor can be exploited to control both the charge-transfer dynamics and its efficiency not only at donor acceptor interfaces but also in complex biological systems.

  1. Microscopic models for proton transfer in water and strongly hydrogen-bonded complexes with a single-well proton potential

    DEFF Research Database (Denmark)

    Kuznetsov, A.M.; Ulstrup, Jens

    2004-01-01

    A new mechanism and formalism for proton transfer in donor-acceptor complexes with long hydrogen bonds introduced recently [1], is applied to a proton transfer in liquid water. "Structural diffusion" of hydroxonium ions is regarded as totally adiabatic process, with synchronous hindered translation...... of two closest water molecules to and from the reaction complex as crucial steps. The water molecules induce a "gated" shift of the proton from the donor to the acceptor in the double-well potential with simultaneous breaking/formation of hydrogen bonds between these molecules and the proton donor...... and acceptor. The short-range and long-range proton transfer as "structural diffusion" of Zundel complexes is also considered. The theoretical formalism is illustrated with the use of Morse, exponential, and harmonic molecular potentials. This approach is extended to proton transfer in strongly hydrogen...

  2. Molecular projectile effects for kinetic electron emission from carbon- and metal-surfaces bombarded by slow hydrogen ions

    International Nuclear Information System (INIS)

    Cernusca, S.; Winter, H.P.; Aumayr, F.; Diez Muino, R.; Juaristi, J.I.

    2003-01-01

    Total yields for kinetic electron emission (KE) have been determined for impact of hydrogen monomer-, dimer- and trimer-ions (impact energy <10 keV) on atomically clean surfaces of carbon-fiber inforced graphite used as first-wall armour in magnetic fusion devices. The data are compared with KE yields for impact of same projectile ions on atomically clean highly oriented pyrolytic graphite and polycrystalline gold. We discuss KE yields for the different targets if bombarded by equally fast molecular and atomic ions in view to 'projectile molecular effects' (different yields per proton for equally fast atomic and molecular ions), which are expected from calculated electronic projectile energy losses in these target materials

  3. Annealing Kinetic Model Using Fast and Slow Metastable Defects for Hydrogenated-Amorphous-Silicon-Based Solar Cells

    Directory of Open Access Journals (Sweden)

    Seung Yeop Myong

    2007-01-01

    Full Text Available The two-component kinetic model employing “fast” and “slow” metastable defects for the annealing behaviors in pin-type hydrogenated-amorphous-silicon- (a-Si:H- based solar cells is simulated using a normalized fill factor. Reported annealing data on pin-type a-Si:H-based solar cells are revisited and fitted using the model to confirm its validity. It is verified that the two-component model is suitable for fitting the various experimental phenomena. In addition, the activation energy for annealing of the solar cells depends on the definition of the recovery time. From the thermally activated and high electric field annealing behaviors, the plausible microscopic mechanism on the defect removal process is discussed.

  4. Molecular projectile effects for kinetic electron emission from carbon- and metal-surfaces bombarded by slow hydrogen ions

    CERN Document Server

    Cernusca, S; Aumayr, F; Diez-Muino, R; Juaristi, J I

    2003-01-01

    Total yields for kinetic electron emission (KE) have been determined for impact of hydrogen monomer-, dimer- and trimer-ions (impact energy <10 keV) on atomically clean surfaces of carbon-fiber inforced graphite used as first-wall armour in magnetic fusion devices. The data are compared with KE yields for impact of same projectile ions on atomically clean highly oriented pyrolytic graphite and polycrystalline gold. We discuss KE yields for the different targets if bombarded by equally fast molecular and atomic ions in view to 'projectile molecular effects' (different yields per proton for equally fast atomic and molecular ions), which are expected from calculated electronic projectile energy losses in these target materials.

  5. Liquid-Phase Catalytic Transfer Hydrogenation of Furfural over Homogeneous Lewis Acid-Ru/C Catalysts.

    Science.gov (United States)

    Panagiotopoulou, Paraskevi; Martin, Nickolas; Vlachos, Dionisios G

    2015-06-22

    The catalytic performance of homogeneous Lewis acid catalysts and their interaction with Ru/C catalyst are studied in the catalytic transfer hydrogenation of furfural by using 2-propanol as a solvent and hydrogen donor. We find that Lewis acid catalysts hydrogenate the furfural to furfuryl alcohol, which is then etherified with 2-propanol. The catalytic activity is correlated with an empirical scale of Lewis acid strength and exhibits a volcano behavior. Lanthanides are the most active, with DyCl3 giving complete furfural conversion and a 97 % yield of furfuryl alcohol at 180 °C after 3 h. The combination of Lewis acid and Ru/C catalysts results in synergy for the stronger Lewis acid catalysts, with a significant increase in the furfural conversion and methyl furan yield. Optimum results are obtained by using Ru/C combined with VCl3 , AlCl3 , SnCl4 , YbCl3 , and RuCl3 . Our results indicate that the combination of Lewis acid/metal catalysts is a general strategy for performing tandem reactions in the upgrade of furans. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Excitation and charge transfer in low-energy hydrogen atom collisions with neutral oxygen

    Science.gov (United States)

    Barklem, P. S.

    2018-02-01

    Excitation and charge transfer in low-energy O+H collisions is studied; it is a problem of importance for modelling stellar spectra and obtaining accurate oxygen abundances in late-type stars including the Sun. The collisions have been studied theoretically using a previously presented method based on an asymptotic two-electron linear combination of atomic orbitals (LCAO) model of ionic-covalent interactions in the neutral atom-hydrogen-atom system, together with the multichannel Landau-Zener model. The method has been extended to include configurations involving excited states of hydrogen using an estimate for the two-electron transition coupling, but this extension was found to not lead to any remarkably high rates. Rate coefficients are calculated for temperatures in the range 1000-20 000 K, and charge transfer and (de)excitation processes involving the first excited S-states, 4s.5So and 4s.3So, are found to have the highest rates. Data are available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/vizbin/qcat?J/A+A/610/A57. The data are also available at http://https://github.com/barklem/public-data

  7. Metal-free photochemical silylations and transfer hydrogenations of benzenoid hydrocarbons and graphene

    Science.gov (United States)

    Papadakis, Raffaello; Li, Hu; Bergman, Joakim; Lundstedt, Anna; Jorner, Kjell; Ayub, Rabia; Haldar, Soumyajyoti; Jahn, Burkhard O.; Denisova, Aleksandra; Zietz, Burkhard; Lindh, Roland; Sanyal, Biplab; Grennberg, Helena; Leifer, Klaus; Ottosson, Henrik

    2016-10-01

    The first hydrogenation step of benzene, which is endergonic in the electronic ground state (S0), becomes exergonic in the first triplet state (T1). This is in line with Baird's rule, which tells that benzene is antiaromatic and destabilized in its T1 state and also in its first singlet excited state (S1), opposite to S0, where it is aromatic and remarkably unreactive. Here we utilized this feature to show that benzene and several polycyclic aromatic hydrocarbons (PAHs) to various extents undergo metal-free photochemical (hydro)silylations and transfer-hydrogenations at mild conditions, with the highest yield for naphthalene (photosilylation: 21%). Quantum chemical computations reveal that T1-state benzene is excellent at H-atom abstraction, while cyclooctatetraene, aromatic in the T1 and S1 states according to Baird's rule, is unreactive. Remarkably, also CVD-graphene on SiO2 is efficiently transfer-photohydrogenated using formic acid/water mixtures together with white light or solar irradiation under metal-free conditions.

  8. Manganese-Oxygen Intermediates in O-O Bond Activation and Hydrogen-Atom Transfer Reactions.

    Science.gov (United States)

    Rice, Derek B; Massie, Allyssa A; Jackson, Timothy A

    2017-11-21

    Biological systems capitalize on the redox versatility of manganese to perform reactions involving dioxygen and its derivatives superoxide, hydrogen peroxide, and water. The reactions of manganese enzymes influence both human health and the global energy cycle. Important examples include the detoxification of reactive oxygen species by manganese superoxide dismutase, biosynthesis by manganese ribonucleotide reductase and manganese lipoxygenase, and water splitting by the oxygen-evolving complex of photosystem II. Although these enzymes perform very different reactions and employ structurally distinct active sites, manganese intermediates with peroxo, hydroxo, and oxo ligation are commonly proposed in catalytic mechanisms. These intermediates are also postulated in mechanisms of synthetic manganese oxidation catalysts, which are of interest due to the earth abundance of manganese. In this Account, we describe our recent efforts toward understanding O-O bond activation pathways of Mn III -peroxo adducts and hydrogen-atom transfer reactivity of Mn IV -oxo and Mn III -hydroxo complexes. In biological and synthetic catalysts, peroxomanganese intermediates are commonly proposed to decay by either Mn-O or O-O cleavage pathways, although it is often unclear how the local coordination environment influences the decay mechanism. To address this matter, we generated a variety of Mn III -peroxo adducts with varied ligand environments. Using parallel-mode EPR and Mn K-edge X-ray absorption techniques, the decay pathway of one Mn III -peroxo complex bearing a bulky macrocylic ligand was investigated. Unlike many Mn III -peroxo model complexes that decay to oxo-bridged-Mn III Mn IV dimers, decay of this Mn III -peroxo adduct yielded mononuclear Mn III -hydroxo and Mn IV -oxo products, potentially resulting from O-O bond activation of the Mn III -peroxo unit. These results highlight the role of ligand sterics in promoting the formation of mononuclear products and mark an important

  9. Intermolecular hydrogen transfer catalyzed by a flavodehydrogenase, bakers' yeast flavocytochrome b2

    International Nuclear Information System (INIS)

    Urban, P.; Lederer, F.

    1985-01-01

    Bakers yeast flavocytochrome b2 is a flavin-dependent L-2-hydroxy acid dehydrogenase which also exhibits transhydrogenase activity. When a reaction takes place between [2- 3 H]lactate and a halogenopyruvate, tritium is found in water and at the halogenolactate C2 position. When the halogenopyruvate undergoes halide ion elimination, tritium is also found at the C3 position of the resulting pyruvate. The amount tau of this intermolecular tritium transfer depends on the initial keto acid-acceptor concentration. At infinite acceptor concentration, extrapolation yields a maximal transfer of 97 +/- 11%. This indicates that the hydroxy acid-derived hydrogen resides transiently on enzyme monoprotic heteroatoms and that exchange with bulk solvent occurs only at the level of free reduced enzyme. Using a minimal kinetic scheme, the rate constant for hydrogen exchange between Ered and solvent is calculated to be on the order of 10(2) M-1 S-1, which leads to an estimated pK approximately equal to 15 for the ionization of the substrate-derived proton while on the enzyme. It is suggested that this hydrogen could be shared between the active site base and Flred N5 anion. It is furthermore shown that some tritium is incorporated into the products when the transhydrogenation is carried out in tritiated water. Finally, with [2-2H]lactate-reduced enzyme, a deuterium isotope effect is observed on the rate of bromopyruvate disappearance. Extrapolation to infinite bromopyruvate concentration yields DV = 4.4. An apparent inverse isotope effect is determined for bromide ion elimination. These results strengthen the idea that oxidoreduction and elimination pathways involve a common carbanionic intermediate

  10. Numerical modeling of heat transfer during hydrogen absorption in thin double-layered annular ZrCo beds

    Directory of Open Access Journals (Sweden)

    Yehui Cui

    2018-06-01

    Full Text Available In this work a three-dimensional (3D hydrogen absorption model was proposed to study the heat transfer behavior in thin double-layered annular ZrCo beds. Numerical simulations were performed to investigate the effects of conversion layer thickness, thermal conductivity, cooling medium and its flow velocity on the efficiency of heat transfer. Results reveal that decreasing the layer thickness and improving the thermal conductivity enhance the ability of heat transfer. Compared with nitrogen and helium, water appears to be a better medium for cooling. In order to achieve the best efficiency of heat transfer, the flow velocity needs to be maximized. Keywords: Hydrogen storage, ZrCo metal hydride, Heat transfer, Three-dimensional simulation

  11. Hydrogen peroxide modulates Ca2+-activation of single permeabilized fibres from fast- and slow-twitch skeletal muscles of rats.

    Science.gov (United States)

    Plant, D R; Lynch, G S; Williams, D A

    2000-01-01

    We examined the effects of redox modulation on single membrane-permeabilized fibre segments from the fast-twitch extensor digitorum longus (EDL) and slow-twitch soleus muscles of adult rats to determine whether the contractile apparatus was the redox target responsible for the increased contractility of muscles exposed to low concentrations of H2O2. The effects of H2O2 on maximum Ca2+-activated force were dose-dependent with 30 min exposure to 5 mM H2O2 causing a progressive decrease by 22+/-3 and 13+/-2% in soleus and EDL permeabilized muscle fibres, respectively. Lower concentrations of exogenous H2O2 (100 microM and 1 mM) had no effect on maximum Ca2+-activated force. Subsequent exposure to the reductant dithiothreitol (DTT, 10 mM, 10 min) fully reversed the H2O2-induced depression of force in EDL, but not in soleus muscle fibres. Incubation with DTT alone for 10 min did not alter Ca2+-activated force in either soleus or EDL muscle fibres. The sensitivity of the contractile filaments to Ca2+ (pCa50) was not altered by exposure to any concentration of exogenous H2O2. However, all concentrations of H2O2 diminished the Hill coefficient in permeabilized fibres from the EDL muscle, indicating that the cooperativity of Ca2+ binding to troponin is altered. H2O2 (5 mM) did not affect rigor force, which indicates that the number of crossbridges participating in contraction was not reduced. In conclusion, H2O2 may reduce the maximum Ca2+ activated force production in skinned muscle fibres by decreasing the force per crossbridge.

  12. Theoretical and computational study of the energy dependence of the muon transfer rate from hydrogen to higher-Z gases

    Energy Technology Data Exchange (ETDEWEB)

    Bakalov, Dimitar, E-mail: dbakalov@inrne.bas.bg [Institute for Nuclear Research and Nuclear Energy, Bulgarian Academy of Sciences, Tsarigradsko chaussée 72, Sofia 1784 (Bulgaria); Adamczak, Andrzej [Institute of Nuclear Physics, Polish Academy of Sciences, ul. Radzikowskiego 152, 31-342 Krakow (Poland); Stoilov, Mihail [Institute for Nuclear Research and Nuclear Energy, Bulgarian Academy of Sciences, Tsarigradsko chaussée 72, Sofia 1784 (Bulgaria); Vacchi, Andrea [Istituto Nazionale di Fisica Nucleare, Sezione di Trieste, Via A. Valerio 2, 34127 Trieste (Italy)

    2015-01-23

    The recent PSI Lamb shift experiment and the controversy about proton size revived the interest in measuring the hyperfine splitting in muonic hydrogen as an alternative possibility for comparing ordinary and muonic hydrogen spectroscopy data on proton electromagnetic structure. This measurement critically depends on the energy dependence of the muon transfer rate to heavier gases in the epithermal range. The available data provide only qualitative information, and the theoretical predictions have not been verified. We propose a new method by measurements of the transfer rate in thermalized target at different temperatures, estimate its accuracy and investigate the optimal experimental conditions. - Highlights: • Method for measuring the energy dependence of muon transfer rate to higher-Z gases. • Thermalization and depolarization of muonic hydrogen studied by Monte Carlo method. • Optimal experimental conditions determined by Monte Carlo simulations. • Mathematical model and for estimating the uncertainty of the experimental results.

  13. Efficient and Adaptive Methods for Computing Accurate Potential Surfaces for Quantum Nuclear Effects: Applications to Hydrogen-Transfer Reactions.

    Science.gov (United States)

    DeGregorio, Nicole; Iyengar, Srinivasan S

    2018-01-09

    We present two sampling measures to gauge critical regions of potential energy surfaces. These sampling measures employ (a) the instantaneous quantum wavepacket density, an approximation to the (b) potential surface, its (c) gradients, and (d) a Shannon information theory based expression that estimates the local entropy associated with the quantum wavepacket. These four criteria together enable a directed sampling of potential surfaces that appears to correctly describe the local oscillation frequencies, or the local Nyquist frequency, of a potential surface. The sampling functions are then utilized to derive a tessellation scheme that discretizes the multidimensional space to enable efficient sampling of potential surfaces. The sampled potential surface is then combined with four different interpolation procedures, namely, (a) local Hermite curve interpolation, (b) low-pass filtered Lagrange interpolation, (c) the monomial symmetrization approximation (MSA) developed by Bowman and co-workers, and (d) a modified Shepard algorithm. The sampling procedure and the fitting schemes are used to compute (a) potential surfaces in highly anharmonic hydrogen-bonded systems and (b) study hydrogen-transfer reactions in biogenic volatile organic compounds (isoprene) where the transferring hydrogen atom is found to demonstrate critical quantum nuclear effects. In the case of isoprene, the algorithm discussed here is used to derive multidimensional potential surfaces along a hydrogen-transfer reaction path to gauge the effect of quantum-nuclear degrees of freedom on the hydrogen-transfer process. Based on the decreased computational effort, facilitated by the optimal sampling of the potential surfaces through the use of sampling functions discussed here, and the accuracy of the associated potential surfaces, we believe the method will find great utility in the study of quantum nuclear dynamics problems, of which application to hydrogen-transfer reactions and hydrogen

  14. Hydrogen atom transfer reactions in thiophenol: photogeneration of two new thione isomers.

    Science.gov (United States)

    Reva, Igor; Nowak, Maciej J; Lapinski, Leszek; Fausto, Rui

    2015-02-21

    Photoisomerization reactions of monomeric thiophenol have been investigated for the compound isolated in low-temperature argon matrices. The initial thiophenol population consists exclusively of the thermodynamically most stable thiol form. Phototransformations were induced by irradiation of the matrices with narrowband tunable UV light. Irradiation at λ > 290 nm did not induce any changes in isolated thiophenol molecules. Upon irradiation at 290-285 nm, the initial thiol form of thiophenol converted into its thione isomer, cyclohexa-2,4-diene-1-thione. This conversion occurs by transfer of an H atom from the SH group to a carbon atom at the ortho position of the ring. Subsequent irradiation at longer wavelengths (300-427 nm) demonstrated that this UV-induced hydrogen-atom transfer is photoreversible. Moreover, upon irradiation at 400-425 nm, the cyclohexa-2,4-diene-1-thione product converts, by transfer of a hydrogen atom from the ortho to para position, into another thione isomer, cyclohexa-2,5-diene-1-thione. The latter thione isomer is also photoreactive and is consumed if irradiated at λ atom-transfer isomerization reactions dominate the unimolecular photochemistry of thiophenol confined in a solid argon matrix. A set of low-intensity infrared bands, observed in the spectra of UV irradiated thiophenol, indicates the presence of a phenylthiyl radical with an H- atom detached from the SH group. Alongside the H-atom-transfer and H-atom-detachment processes, the ring-opening photoreaction occurred in cyclohexa-2,4-diene-1-thione by the cleavage of the C-C bond at the alpha position with respect to the thiocarbonyl C[double bond, length as m-dash]S group. The resulting open-ring conjugated thioketene adopts several isomeric forms, differing by orientations around single and double bonds. The species photogenerated upon UV irradiation of thiophenol were identified by comparison of their experimental infrared spectra with the spectra theoretically calculated for

  15. Palladium-Catalyzed Atom-Transfer Radical Cyclization at Remote Unactivated C(sp3 )-H Sites: Hydrogen-Atom Transfer of Hybrid Vinyl Palladium Radical Intermediates.

    Science.gov (United States)

    Ratushnyy, Maxim; Parasram, Marvin; Wang, Yang; Gevorgyan, Vladimir

    2018-03-01

    A novel mild, visible-light-induced palladium-catalyzed hydrogen atom translocation/atom-transfer radical cyclization (HAT/ATRC) cascade has been developed. This protocol involves a 1,5-HAT process of previously unknown hybrid vinyl palladium radical intermediates, thus leading to iodomethyl carbo- and heterocyclic structures. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Hydrodehalogenation of alkyl iodides with base-mediated hydrogenation and catalytic transfer hydrogenation: application to the asymmetric synthesis of N-protected α-methylamines.

    Science.gov (United States)

    Mandal, Pijus K; Birtwistle, J Sanderson; McMurray, John S

    2014-09-05

    We report a very mild synthesis of N-protected α-methylamines from the corresponding amino acids. Carboxyl groups of amino acids are reduced to iodomethyl groups via hydroxymethyl intermediates. Reductive deiodination to methyl groups is achieved by hydrogenation or catalytic transfer hydrogenation under alkaline conditions. Basic hydrodehalogenation is selective for the iodomethyl group over hydrogenolysis-labile protecting groups, such as benzyloxycarbonyl, benzyl ester, benzyl ether, and 9-fluorenyloxymethyl, thus allowing the conversion of virtually any protected amino acid into the corresponding N-protected α-methylamine.

  17. Numerical modeling of heat transfer during hydrogen absorption in thin double-layered annular ZrCo beds

    Science.gov (United States)

    Cui, Yehui; Zeng, Xiangguo; Kou, Huaqin; Ding, Jun; Wang, Fang

    2018-06-01

    In this work a three-dimensional (3D) hydrogen absorption model was proposed to study the heat transfer behavior in thin double-layered annular ZrCo beds. Numerical simulations were performed to investigate the effects of conversion layer thickness, thermal conductivity, cooling medium and its flow velocity on the efficiency of heat transfer. Results reveal that decreasing the layer thickness and improving the thermal conductivity enhance the ability of heat transfer. Compared with nitrogen and helium, water appears to be a better medium for cooling. In order to achieve the best efficiency of heat transfer, the flow velocity needs to be maximized.

  18. Low-energy charge transfer for collisions of Si3+ with atomic hydrogen

    Science.gov (United States)

    Bruhns, H.; Kreckel, H.; Savin, D. W.; Seely, D. G.; Havener, C. C.

    2008-06-01

    Cross sections of charge transfer for Si3+ ions with atomic hydrogen at collision energies of ≈40-2500eV/u were carried out using a merged-beam technique at the Multicharged Ion Research Facility at Oak Ridge National Laboratory. The data span an energy range in which both molecular orbital close coupling (MOCC) and classical trajectory Monte Carlo (CTMC) calculations are available. The influence of quantum mechanical effects of the ionic core as predicted by MOCC is clearly seen in our results. However, discrepancies between our experiment and MOCC results toward higher collision energies are observed. At energies above 1000 eV/u good agreement is found with CTMC results.

  19. Ab initio study of charge transfer in B2+ low-energy collisions with atomic hydrogen

    Science.gov (United States)

    Turner, A. R.; Cooper, D. L.; Wang, J. G.; Stancil, P. C.

    2003-07-01

    Charge transfer processes due to collisions of ground state B2+(2s 2S) ions with atomic hydrogen are investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) method. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial and rotational coupling matrix elements obtained with the spin-coupled valence-bond approach. Total and state-selective cross sections and rate coefficients are presented. Comparison with the existing experiments shows our results to be in good agreement. When EMOCC cross sections with and without rotational coupling are small (400 eV/u, inclusion of rotational coupling increases the total cross section by 50% 80%, improving the agreement between the current calculations and experiments. For state-selective cross sections, rotational coupling induces mixing between different symmetries; however, its effect, especially at low collision energies, is not as important as had been suggested in previous work.

  20. Low Energy Charge Transfer for Collisions of Si3+ with Atomic Hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Bruhns, H. [Columbia University; Kreckel, H. [Columbia University; Savin, D. W. [Columbia University; Seely, D. G. [Albion College; Havener, Charles C [ORNL

    2008-01-01

    Cross sections of charge transfer for Si{sup 3+} ions with atomic hydrogen at collision energies of {approx} 40-2500 eV/u were carried out using a merged-beam technique at the Multicharged Ion Research Facility at Oak Ridge National Laboratory. The data span an energy range in which both molecular orbital close coupling (MOCC) and classical trajectory Monte Carlo (CTMC) calculations are available. The influence of quantum mechanical effects of the ionic core as predicted by MOCC is clearly seen in our results. However, discrepancies between our experiment and MOCC results toward higher collision energies are observed. At energies above 1000 eV/u good agreement is found with CTMC results.

  1. Ab initio study of charge transfer in B2+ low-energy collisions with atomic hydrogen

    International Nuclear Information System (INIS)

    Turner, A.R.; Cooper, D.L.; Wang, J.G.; Stancil, P.C.

    2003-01-01

    Charge transfer processes due to collisions of ground state B 2+ (2s 2 S) ions with atomic hydrogen are investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) method. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial and rotational coupling matrix elements obtained with the spin-coupled valence-bond approach. Total and state-selective cross sections and rate coefficients are presented. Comparison with the existing experiments shows our results to be in good agreement. When E 400 eV/u, inclusion of rotational coupling increases the total cross section by 50%-80%, improving the agreement between the current calculations and experiments. For state-selective cross sections, rotational coupling induces mixing between different symmetries; however, its effect, especially at low collision energies, is not as important as had been suggested in previous work

  2. Hydrogen transfer experiments and modelization in clay rocks for radioactive waste deep geological repository

    International Nuclear Information System (INIS)

    Boulin, P.

    2008-10-01

    Gases will be generated by corrosion of high radioactive waste containers in deep geological repositories. A gas phase will be generated. Gas pressure will build up and penetrated the geological formation. If gases do not penetrate the geological barrier efficiently, the pressure build up may create a risk of fracturing and of creation of preferential pathways for radionuclide migration. The present work focuses on Callovo-Oxfordian argillites characterisation. An experiment, designed to measure very low permeabilities, was used with hydrogen/helium and analysed using the Dusty Gas Model. Argillites close to saturation have an accessible porosity to gas transfer that is lower than 0,1% to 1% of the porosity. Analysis of the Knudsen effect suggests that this accessible network should be made of 50 nm to 200 nm diameter pores. The permeabilities values were integrated to an ANDRA operating model. The model showed that the maximum pressure expected near the repository would be 83 bar. (author)

  3. Polymerization of Acetonitrile via a Hydrogen Transfer Reaction from CH3 to CN under Extreme Conditions.

    Science.gov (United States)

    Zheng, Haiyan; Li, Kuo; Cody, George D; Tulk, Christopher A; Dong, Xiao; Gao, Guoying; Molaison, Jamie J; Liu, Zhenxian; Feygenson, Mikhail; Yang, Wenge; Ivanov, Ilia N; Basile, Leonardo; Idrobo, Juan-Carlos; Guthrie, Malcolm; Mao, Ho-Kwang

    2016-09-19

    Acetonitrile (CH3 CN) is the simplest and one of the most stable nitriles. Reactions usually occur on the C≡N triple bond, while the C-H bond is very inert and can only be activated by a very strong base or a metal catalyst. It is demonstrated that C-H bonds can be activated by the cyano group under high pressure, but at room temperature. The hydrogen atom transfers from the CH3 to CN along the CH⋅⋅⋅N hydrogen bond, which produces an amino group and initiates polymerization to form a dimer, 1D chain, and 2D nanoribbon with mixed sp(2) and sp(3) bonded carbon. Finally, it transforms into a graphitic polymer by eliminating ammonia. This study shows that applying pressure can induce a distinctive reaction which is guided by the structure of the molecular crystal. It highlights the fact that very inert C-H can be activated by high pressure, even at room temperature and without a catalyst. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Penetration of Hydrogen clusters from 10 to 120 kev/u in carbon foils. Study of their slowing-down and charge distribution of emerging fragments

    International Nuclear Information System (INIS)

    Ray, E.M.

    1991-06-01

    This work is devoted to the experimental study of the interaction between fast (10 to 120 keV/p) hydrogen clusters with thin solid targets. First, we have studied the slowing-down of H n + (2≤n≤21) clusters through carbon foils. Up to date this had been made only with molecular ions. We obtain evidence for vicinage effects on the energy loss of proton-clusters. We show that for projectile energies larger than 50 keV/p, the energy loss of a proton in a cluster is enhanced when compared to that of an isolated proton of the same velocity. At lower incident energies, it is a decrease of the energy loss which is observed. The same effect is also observed in the energy lost in the entrance window of a surface barrier detector bombarded by clusters. This phenomenon is interpreted in terms of interferences between individual polarisation wakes induced by each proton of the cluster. In the second part, we propose an accurate method to study the charge state of the atomic fragments resulting from the dissociation of fast H n + (2≤n≤15) clusters through a carbon foil. This method gives also the distribution of the neutral atoms among the emerging fragments. These distributions are finally compared with binomial laws expected from independent particles

  5. On the transferability of atomic contributions to the optical rotatory power of hydrogen peroxide, methyl hydroperoxide and dimethyl peroxide

    DEFF Research Database (Denmark)

    Sánchez, Marina; Alkorta, Ibon; Elguero, José

    2014-01-01

    for the hydrogen, oxygen and carbon atoms as well as for the methyl group at the level of time-dependent density functional theory with the B3LYP exchange-correlation functional employing a large Gaussian basis set. We find that the atomic or group contributions are not transferable among these three molecules....

  6. Eosin Y as a Direct Hydrogen Atom Transfer Photocatalyst for the Functionalization of C-H Bonds.

    Science.gov (United States)

    Fan, Xuan-Zi; Rong, Jia-Wei; Wu, Hao-Lin; Zhou, Quan; Deng, Hong-Ping; Tan, Jin Da; Xue, Cheng-Wen; Wu, Li-Zhu; Tao, Hai-Rong; Wu, Jie

    2018-05-02

    Eosin Y, a well-known economical alternative to metal catalysts in visible-light-driven single-electron transfer-based organic transformations, can behave as an effective direct hydrogen atom transfer catalyst for C-H activation. Using the alkylation of C-H bonds with electron-deficient alkenes as a model study revealed an extremely broad substrate scope, enabling easy access to a variety of important synthons. This eosin Y-based photocatalytic hydrogen atom transfer strategy is promising for diverse functionalization of a wide range of native C-H bonds in a green and sustainable manner. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Environment-sensitive quinolone demonstrating long-lived fluorescence and unusually slow excited-state intramolecular proton transfer kinetics

    Czech Academy of Sciences Publication Activity Database

    Zamotaiev, O. M.; Shvadchak, Volodymyr; Sych, T. P.; Melnychuk, N. A.; Yushchenko, Dmytro A.; Mely, Y.; Pivovarenko, V. G.

    2016-01-01

    Roč. 4, č. 3 (2016), č. článku 034004. ISSN 2050-6120 Institutional support: RVO:61388963 Keywords : quinolone * fluorescent probes * local polarity * hydration * excited-state intramolecular proton transfer * kinetics Subject RIV: CC - Organic Chemistry Impact factor: 2.656, year: 2016

  8. 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.

  9. Catalytic Transfer Hydrogenation of Furfural to 2-Methylfuran and 2-Methyltetrahydrofuran over Bimetallic Copper-Palladium Catalysts.

    Science.gov (United States)

    Chang, Xin; Liu, An-Feng; Cai, Bo; Luo, Jin-Yue; Pan, Hui; Huang, Yao-Bing

    2016-12-08

    The catalytic transfer hydrogenation of furfural to the fuel additives 2-methylfuran (2-MF) and 2-methyltetrahydrofuran (2-MTHF) was investigated over various bimetallic catalysts in the presence of the hydrogen donor 2-propanol. Of all the as-prepared catalysts, bimetallic Cu-Pd catalysts showed the highest catalytic activities towards the formation of 2-MF and 2-MTHF with a total yield of up to 83.9 % yield at 220 °C in 4 h. By modifying the Pd ratios in the Cu-Pd catalyst, 2-MF or 2-MTHF could be obtained selectively as the prevailing product. The other reaction conditions also had a great influence on the product distribution. Mechanistic studies by reaction monitoring and intermediate conversion revealed that the reaction proceeded mainly through the hydrogenation of furfural to furfuryl alcohol, which was followed by deoxygenation to 2-MF in parallel to deoxygenation/ring hydrogenation to 2-MTHF. Finally, the catalyst showed a high reactivity and stability in five catalyst recycling runs, which represents a significant step forward toward the catalytic transfer hydrogenation of furfural. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Temperature-dependent kinetics of charge transfer, hydrogen-atom transfer, and hydrogen-atom expulsion in the reaction of CO+ with CH4 and CD4.

    Science.gov (United States)

    Melko, Joshua J; Ard, Shaun G; Johnson, Ryan S; Shuman, Nicholas S; Guo, Hua; Viggiano, Albert A

    2014-09-18

    We have determined the rate constants and branching ratios for the reactions of CO(+) with CH4 and CD4 in a variable-temperature selected ion flow tube. We find that the rate constants are collisional for all temperatures measured (193-700 K for CH4 and 193-500 K for CD4). For the CH4 reaction, three product channels are identified, which include charge transfer (CH4(+) + CO), H-atom transfer (HCO(+) + CH3), and H-atom expulsion (CH3CO(+) + H). H-atom transfer is slightly preferred to charge transfer at low temperature, with the charge-transfer product increasing in contribution as the temperature is increased (H-atom expulsion is a minor product for all temperatures). Analogous products are identified for the CD4 reaction. Density functional calculations on the CO(+) + CH4 reaction were also conducted, revealing that the relative temperature dependences of the charge-transfer and H-atom transfer pathways are consistent with an initial charge transfer followed by proton transfer.

  11. Electrochemical studies of a reconstituted photosynthetic electron-transfer chain or towards a biomimetic photoproduction of hydrogen

    International Nuclear Information System (INIS)

    Fourmond, V.

    2007-04-01

    The aim of this work is to find an efficient process to convert solar energy into hydrogen. The electrons transfers in reconstituted photosynthetic chains have been particularly studied with the aims 1)in one hand, to better understand the interactions of the different molecules of the photosynthetic chain in order to optimize the changes of the entire organisms for hydrogen production 2)in another hand, to insert the hydrogenases in a photosynthetic chain and then to photo reduce them in order to obtain kinetic data to better understand how it works. (O.M.)

  12. Mass and heat transfer on B7 structured packing in the separation of hydrogen isotopes by distillation

    International Nuclear Information System (INIS)

    Croitoru, C.; Pop, F.; Titescu, Gh.; Culcer, M.; Iliescu, M.; Stefanescu, I.; Trancota, D.; Peculea, M.

    2002-01-01

    The paper presents theoretical and experimental data concerning mass and heat transfer on B7 ordered packing, at deuterium separation by distillation. The first section of the paper is dedicated to the mass transfer study of hydrogen distillation, while the second section deals with mass and heat transfer in water distillation. A mathematical model was worked out and compared with experimental data, obtained from two laboratory distillation plants for deuterium separation. From the first plant experimental data concerning B7 ordered packing efficiency of hydrogen cryogenic distillation at 250 deg. C level were obtained. Data concerning mass and heat transfer on the same packing in deuterium separation by water vacuum distillation at 60 deg. C level were obtained in the second plant. HUT values, mass and heat transfer coefficients both theoretically evaluated and experimentally determined were found to be comparable with those obtained from chemical industry separation processes. The fact justifies the use of multi-tubular column model for description of transfer processes in distillation columns equipped with B7 structured packing. (authors)

  13. Non-typical fluorescence studies of excited and ground state proton and hydrogen transfer

    KAUST Repository

    Gil, Michał; Kijak, Michał; Piwonski, Hubert Marek; Herbich, Jerzy; Waluk, Jacek

    2017-01-01

    Fluorescence studies of tautomerization have been carried out for various systems that exhibit single and double proton or hydrogen translocation in various environments, such as liquid and solid condensed phases, ultracold supersonic jets, and finally, polymer matrices with single emitters.We focus on less explored areas of application of fluorescence for tautomerization studies, using porphycene, a porphyrin isomer, as an example. Fluorescence anisotropy techniques allow investigations of self-exchange reactions, where the reactant and product are formally identical. Excitation with polarized light makes it possible to monitor tautomerization in single molecules and to detect their three-dimensional orientation. Analysis of fluorescence from single vibronic levels of jet-isolated porphycene not only demonstrates coherent tunneling of two internal protons, but also indicates that the process is vibrational mode-specific. Next, we present bifunctional proton donoracceptor systems, molecules that are able, depending on the environment, to undergo excited state single intramolecular or double intermolecular proton transfer. For molecules that have donor and acceptor groups located in separate moieties linked by a single bond, excited state tautomerization can be coupled to mutual twisting of the two subunits.

  14. Dinuclear Tetrapyrazolyl Palladium Complexes Exhibiting Facile Tandem Transfer Hydrogenation/Suzuki Coupling Reaction of Fluoroarylketone

    KAUST Repository

    Dehury, Niranjan

    2016-07-18

    Herein, we report an unprecedented example of dinuclear pyrazolyl-based Pd complexes exhibiting facile tandem catalysis for fluoroarylketone: Tetrapyrazolyl di-palladium complexes with varying Pd-Pd distances efficiently catalyze the tandem reaction involving transfer hydrogenation of fluoroarylketone to the corresponding alcohol and Suzuki-Miyaura cross coupling reaction of the resulting fluoroarylalcohol under moderate reaction conditions, to biaryl alcohol. The complex with the shortest Pd-Pd distance exhibits the highest tandem activity among its di-metallic analogues, and exceeds in terms of activity and selectivity the analogous mononuclear compound. The kinetics of the reaction indicates clearly that reductive transformation of haloarylketone into haloaryalcohol is the rate determining step in the tandem reaction. Interestingly while fluoroarylketone undergoes the multistep tandem catalysis, the chloro- and bromo-arylketones undergo only a single step C-C coupling reaction resulting in biarylketone as the final product. Unlike the pyrazole based Pd compounds, the precursor PdCl2 and the phosphine based relevant complexes (PPh3)2PdCl2 and (PPh3)4Pd are found to be unable to exhibit the tandem catalysis.

  15. Non-typical fluorescence studies of excited and ground state proton and hydrogen transfer

    KAUST Repository

    Gil, Michał

    2017-02-03

    Fluorescence studies of tautomerization have been carried out for various systems that exhibit single and double proton or hydrogen translocation in various environments, such as liquid and solid condensed phases, ultracold supersonic jets, and finally, polymer matrices with single emitters.We focus on less explored areas of application of fluorescence for tautomerization studies, using porphycene, a porphyrin isomer, as an example. Fluorescence anisotropy techniques allow investigations of self-exchange reactions, where the reactant and product are formally identical. Excitation with polarized light makes it possible to monitor tautomerization in single molecules and to detect their three-dimensional orientation. Analysis of fluorescence from single vibronic levels of jet-isolated porphycene not only demonstrates coherent tunneling of two internal protons, but also indicates that the process is vibrational mode-specific. Next, we present bifunctional proton donoracceptor systems, molecules that are able, depending on the environment, to undergo excited state single intramolecular or double intermolecular proton transfer. For molecules that have donor and acceptor groups located in separate moieties linked by a single bond, excited state tautomerization can be coupled to mutual twisting of the two subunits.

  16. 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.

  17. The effects of electron transfer on the energy loss of slow He2+, C2+, and C4+ ions penetrating a graphene fragment

    International Nuclear Information System (INIS)

    Mao, Fei; Zhang, Chao; Gao, Cong-Zhang; Dai, Jinxia; Zhang, Feng-Shou

    2014-01-01

    Electronic energy loss in the collision processes of slow ions with a graphene fragment is investigated by combining ab initio time-dependent density functional theory calculations for electrons with molecular dynamics simulations for ions in real time and real space. We study the electronic energy loss of slow He 2+ , C 2+ , and C 4+ ions penetrating the graphene fragment as a function of the ion velocity, and establish the velocity-proportional energy loss for low-charged ions down to 0.1 a.u. One mechanism clarified in the simulations for electron transfer is polarization capture, which is effective for bare ions at low velocities. The other one is resonance capture, by which the incident ion can capture electrons from the graphene fragment to its electron affinity levels, which have the same, or nearly the same, energy as those of the electron donor levels. The results demonstrate that the nonlinear behavior of energy loss of C 4+ is attributed to the large number of electrons captured by this multi-charged ion during the collision. (paper)

  18. Height determination at the transfer unit in isotopic distillation of hydrogen on type B7 ordered column packing

    International Nuclear Information System (INIS)

    Pop, F.; Croitoru, C.; Peculea, M.

    2001-01-01

    Owing to the low pressure drop implied by ordered column packings these are often utilized for vacuum distillations and separation of mixtures in which the important component occurs at a very low concentration, as for instance is the case of water, deuterium or oxygen isotopic distillation. The paper presents a model for determination of the height of transfer unit (HTU) in the hydrogen isotopic distillation installation, equipped with ordered column packing of B7 type. The computed values for HUT based on the analogy between heat, moment and mass transfer, were compared with the experimental data

  19. Salt-assisted clean transfer of continuous monolayer MoS2 film for hydrogen evolution reaction

    Science.gov (United States)

    Cho, Heung-Yeol; Nguyen, Tri Khoa; Ullah, Farman; Yun, Jong-Won; Nguyen, Cao Khang; Kim, Yong Soo

    2018-03-01

    The transfer of two-dimensional (2D) materials from one substrate to another is challenging but of great importance for technological applications. Here, we propose a facile etching and residue-free method for transferring a large-area monolayer MoS2 film continuously grown on a SiO2/Si by chemical vapor deposition. Prior to synthesis, the substrate is dropped with water- soluble perylene-3, 4, 9, 10-tetracarboxylic acid tetrapotassium salt (PTAS). The as-grown MoS2 on the substrate is simply dipped in water to quickly dissolve PTAS to yield the MoS2 film floating on the water surface, which is subsequently transferred to the desired substrate. The morphological, optical and X-ray photoelectron spectroscopic results show that our method is useful for fast and clean transfer of the MoS2 film. Specially, we demonstrate that monolayer MoS2 film transferred onto a conducting substrate leads to excellent performance for hydrogen evolution reaction with low overpotential (0.29 V vs the reversible hydrogen electrode) and Tafel slope (85.5 mV/decade).

  20. Direct Aldehyde C-H Arylation and Alkylation via the Combination of Nickel, Hydrogen Atom Transfer, and Photoredox Catalysis.

    Science.gov (United States)

    Zhang, Xiaheng; MacMillan, David W C

    2017-08-23

    A mechanism that enables direct aldehyde C-H functionalization has been achieved via the synergistic merger of photoredox, nickel, and hydrogen atom transfer catalysis. This mild, operationally simple protocol transforms a wide variety of commercially available aldehydes, along with aryl or alkyl bromides, into the corresponding ketones in excellent yield. This C-H abstraction coupling technology has been successfully applied to the expedient synthesis of the medicinal agent haloperidol.

  1. Direct Observation of Double Hydrogen Transfer via Quantum Tunneling in a Single Porphycene Molecule on a Ag(110) Surface.

    Science.gov (United States)

    Koch, Matthias; Pagan, Mark; Persson, Mats; Gawinkowski, Sylwester; Waluk, Jacek; Kumagai, Takashi

    2017-09-13

    Quantum tunneling of hydrogen atoms (or protons) plays a crucial role in many chemical and biological reactions. Although tunneling of a single particle has been examined extensively in various one-dimensional potentials, many-particle tunneling in high-dimensional potential energy surfaces remains poorly understood. Here we present a direct observation of a double hydrogen atom transfer (tautomerization) within a single porphycene molecule on a Ag(110) surface using a cryogenic scanning tunneling microscope (STM). The tautomerization rates are temperature independent below ∼10 K, and a large kinetic isotope effect (KIE) is observed upon substituting the transferred hydrogen atoms by deuterium, indicating that the process is governed by tunneling. The observed KIE for three isotopologues and density functional theory calculations reveal that a stepwise transfer mechanism is dominant in the tautomerization. It is also found that the tautomerization rate is increased by vibrational excitation via an inelastic electron tunneling process. Moreover, the STM tip can be used to manipulate the tunneling dynamics through modification of the potential landscape.

  2. Advantages of paramagnetic chemical exchange saturation transfer (CEST) complexes having slow to intermediate water exchange properties as responsive MRI agents.

    Science.gov (United States)

    Soesbe, Todd C; Wu, Yunkou; Dean Sherry, A

    2013-07-01

    Paramagnetic chemical exchange saturation transfer (PARACEST) complexes are exogenous contrast agents that have great potential to further extend the functional and molecular imaging capabilities of magnetic resonance. As a result of the presence of a central paramagnetic lanthanide ion (Ln(3+) ≠ La(3+) , Gd(3+) , Lu(3+) ) within the chelate, the resonance frequencies of exchangeable protons bound to the PARACEST agent are shifted far away from the bulk water frequency. This large chemical shift, combined with an extreme sensitivity to the chemical exchange rate, make PARACEST agents ideally suited for the reporting of significant biological metrics, such as temperature, pH and the presence of metabolites. In addition, the ability to turn PARACEST agents 'off' and 'on' using a frequency-selective saturation pulse gives them a distinct advantage over Gd(3+) -based contrast agents. A current challenge for PARACEST research is the translation of the promising in vitro results into in vivo systems. This short review article first describes the basic theory behind PARACEST contrast agents, their benefits over other contrast agents and their applications to MRI. It then describes some of the recent PARACEST research results: specifically, pH measurements using water molecule exchange rate modulation, T2 exchange contrast caused by water molecule exchange, the use of ultrashort TEs (TE < 10 µs) to overcome T2 exchange line broadening and the potential application of T2 exchange as a new contrast mechanism for MRI. Copyright © 2012 John Wiley & Sons, Ltd.

  3. [Two-dimensional model of a double-well potential: proton transfer when a hydrogen bond is deformed].

    Science.gov (United States)

    Krasilnikov, P M

    2014-01-01

    The potential energy cross-section profile along a hydrogen bond may contain two minima in certain conditions; it is so-called a double well potential. The H-bond double well potential is essential for proton transfer along this hydrogen bond. We have considered the two-dimensional model of such double well potential in harmonic approximation, and we have also investigated the proton tunneling in it. In real environments thermal motion of atoms or conformational changes may cause reorientation and relative shift of molecule fragment forming the hydrogen bond and, as a result, the hydrogen bond isdeformed. This deformation is liable to change the double well potential form and, hence, the probability of the proton tunneling is changed too. As it is shown the characteristic time of proton tunneling is essentially increased by even small relative shift of heavy atoms forming the H-bond and also rotational displacement of covalent bond generated by one of heavy atoms and the proton (hydrogen atom). However, it is also shown, at the certain geometry of the H-bond deformation the opposite effect occurred, i.e., the characteristic time is not increased and even decreased. Notice that such its behavior arises from two-dimensionality of potential wells; this and other properties of our model are discussed in detail.

  4. Hydrogen exchange kinetics in a membrane protein determined by 15N NMR spectroscopy: Use of the INEPT [insensitive nucleus enhancement by polarization transfer] experiment to follow individual amides in detergent-solubilized M13 coat protein

    International Nuclear Information System (INIS)

    Henry, G.D.; Sykes, B.D.

    1990-01-01

    The coat protein of the filamentous coliphage M13 is a 50-residue polypeptide which spans the inner membrane of the Escherichia coli host upon infection. Amide hydrogen exchange kinetics have been used to probe the structure and dynamics of M13 coat protein which has been solubilized in sodium dodecyl sulfate (SDS) micelles. In a previous 1 H nuclear magnetic resonance (NMR) study, multiple exponential analysis of the unresolved amide proton envelope revealed the existence of two slow kinetic sets containing a total of about 30 protons. The slower set (15-20 amides) originates from the hydrophobic membrane-spanning region and exchanges at least 10 5 -fold slower than the unstructured, non-H-bonded model polypeptide poly(DL-alanine). Herein the authors use 15 N NMR spectroscopy of biosynthetically labeled coat protein to follow individual, assigned, slowly exchanging amides in or near the hydrophobic segment. The INEPT (insensitive nucleus enhancement by polarization transfer) experiments can be used to transfer magnetization to the 15 N nucleus from a coupled proton; when 15 N-labeled protonated protein is dissolved in 2 H 2 O, the INEPT signal disappears with time as the amide protons are replaced by solvent deuterons. Amide hydrogen exchange is catalyzed by both H + and OH - ions. The time-dependent exchange-out experiment is suitable for slow exchange rates (k ex ). The INEPT experiment was also adapted to measure some of the more rapidly exchanging amides in the coat protein using either saturation transfer from water or exchange effects on the polarization transfer step itself. The results of all of these experiments are consistent with previous models of the coat protein in which a stable segment extends from the hydrophobic membrane-spanning region through to the C-terminus, whereas the N-terminal region is undergoing more extensive dynamic fluctuations

  5. ARGAZ: a new device for experimental study of the coupling between hydrogen production and hydrogen transfer through saturated Callovian-Oxfordian argillite

    International Nuclear Information System (INIS)

    Imbert, C.; Bataillon, C.; Touze, G.; Vigier, P.; Talandier, J.

    2010-01-01

    Document available in extended abstract form only. A specific experimental device has been designed to produce hydrogen at the metal-argillite interface by electrochemistry. The target is for one hand to reproduce the production of hydrogen occurring when a metal is corroded by the water contained in the porosity of the mud-stone. On the other hand, the transfer of the hydrogen through the mud-stone can be studied. The specific features of the experiment are the following: - Hydrogen is generated inside a cell by electrochemistry, at the interface between the argillite and a metallic surface; no gas injection is required; - Electrochemistry gives the possibility to control the hydrogen production rate; - Hydrogen generation implies water consumption: the water comes from the porosity of the bulk argillite, near the interface; - That one-dimensional experiment has been built around a cylindrical sample of bulk and undamaged argillite coming from the Callovian-Oxfordian formation. Inside the device a cylindrical sample of argillite is placed above a nickel plate. Around the argillite, a ring of compacted bentonite ensures a mechanical confinement. When saturated, the bentonite will apply a swelling pressure close to the total pressure encountered by the sample in the geological formation. The hydrogen is generated at the interface nickel-argillite. The nickel plate is one of the two electrodes required for electrochemistry. At the top face of bentonite, iron electrode is used to close the electrical circuit. The hydrogen produced at the bottom face of the mud-stone is expected to go across the argillite towards the top face. A porous plate connected with a sampling bottle allows the capture of hydrogen. The argillite sample has a diameter of 50 mm, and a height of 50 mm. It is obtained by over-coring a core sample, and by a careful machining leading to a perfect geometry and surface quality. The production rate of hydrogen can be calculated from the current intensity

  6. Role of the sulfonamide moiety of Ru(II) half-sandwich complexes in the asymmetric transfer hydrogenation of 3,4-dihydroisoquinolines

    Czech Academy of Sciences Publication Activity Database

    Matuška, O.; Zápal, J.; Hrdličková, R.; Mikoška, M.; Pecháček, J.; Vilhanová, B.; Václavík, Jiří; Kuzma, M.; Kačer, P.

    2016-01-01

    Roč. 118, č. 1 (2016), s. 215-222 ISSN 1878-5190 Institutional support: RVO:61388963 Keywords : ruthenium * asymmetric transfer hydrogenation * dihydroisoquinolines * sulfonamide Subject RIV: CC - Organic Chemistry Impact factor: 1.264, year: 2016

  7. Heat transfer in pool boiling liquid neon, deuterium and hydrogen, and critical heat flux in forced convection of liquid neon

    International Nuclear Information System (INIS)

    Astruc, J.M.

    1967-12-01

    In the first part, free-convection and nucleate pool boiling heat transfer (up to burn-out heat flux) between a platinum wire of 0.15 mm in diameter in neon, deuterium and hydrogen has been studied at atmospheric pressure. These measurements were continued in liquid neon up to 23 bars (Pc ≅ 26.8 b). Film boiling heat transfer coefficients have been measured in pool boiling liquid neon at atmospheric pressure with three heating wires (diameters 0.2, 0.5, 2 mm). All the results have been compared with existing correlations. The second part is devoted to measurements of the critical heat flux limiting heat transfer with small temperature differences between the wall and the liquid neon flowing inside a tube (diameters 3 x 3.5 mm) heated by joule effect on 30 cm of length. Influences of flow stability, nature of electrical current, pressure, mass flow rate and subcooling are shown. In conclusion, the similarity of the heat transfer characteristics in pool boiling as well as in forced convection of liquid neon and hydrogen is emphasized. (author) [fr

  8. Catalytic transfer hydrogenation for stabilization of bio-oil oxygenates: reduction of p-cresol and furfural over bimetallic Ni-Cu catalysts using isopropanol

    Science.gov (United States)

    Transfer hydrogenation and hydrodeoxygenation of model bio-oil compounds (p-cresol and furfural) and bio-oils derived from biomass via traditional pyrolysis and tail-gas reactive pyrolysis (TGRP) were conducted. Mild batch reaction conditions were employed, using isopropanol as a hydrogen donor over...

  9. Solvent-dependent excited-state hydrogen transfer and intersystem crossing in 2-(2′-hydroxyphenyl)-benzothiazole

    KAUST Repository

    Aly, Shawkat Mohammede

    2015-02-12

    The excited-state intramolecular hydrogen transfer (ESIHT) of 2-(2′-hydroxyphenyl) benzothiazole (HBT) has been investigated in a series of nonpolar, polar aprotic, and polar protic solvents. A variety of state-of-the-art experimental methods were employed, including femto- and nanosecond transient absorption and fluorescence upconversion spectroscopy with broadband capabilities. We show that the dynamics and mechanism of ESIHT of the singlet excited HBT are strongly solvent-dependent. In nonpolar solvents, the data demonstrate that HBT molecules adopt a closed form stabilized by O-H⋯N chelated hydrogen bonds with no twisting angle, and the photoinduced H transfer occurs within 120 fs, leading to the formation of a keto tautomer. In polar solvents, owing to dipole-dipole cross talk and hydrogen bonding interactions, the H transfer process is followed by ultrafast nonradiative deactivation channels, including ultrafast internal conversion (IC) and intersystem crossing (ISC). This is likely to be driven by the twisting motion around the C-C bond between the hydroxyphenyl and thiazole moieties, facilitating the IC back to the enol ground state or to the keto triplet state. In addition, our femtosecond time-resolved fluorescence experiments indicate, for the first time, that the lifetime of the enol form in ACN is approximately 280 fs. This observation indicates that the solvent plays a crucial role in breaking the H bond and deactivating the excited state of the HBT. Interestingly, the broadband transient absorption and fluorescence up-conversion data clearly demonstrate that the intermolecular proton transfer from the excited HBT to the DMSO solvent is about 190 fs, forming the HBT anion excited state.

  10. Solvent-dependent excited-state hydrogen transfer and intersystem crossing in 2-(2′-hydroxyphenyl)-benzothiazole

    KAUST Repository

    Aly, Shawkat Mohammede; Usman, Anwar; Alzayer, Maytham; Hamdi, Ghada A.; Alarousu, Erkki; Mohammed, Omar F.

    2015-01-01

    The excited-state intramolecular hydrogen transfer (ESIHT) of 2-(2′-hydroxyphenyl) benzothiazole (HBT) has been investigated in a series of nonpolar, polar aprotic, and polar protic solvents. A variety of state-of-the-art experimental methods were employed, including femto- and nanosecond transient absorption and fluorescence upconversion spectroscopy with broadband capabilities. We show that the dynamics and mechanism of ESIHT of the singlet excited HBT are strongly solvent-dependent. In nonpolar solvents, the data demonstrate that HBT molecules adopt a closed form stabilized by O-H⋯N chelated hydrogen bonds with no twisting angle, and the photoinduced H transfer occurs within 120 fs, leading to the formation of a keto tautomer. In polar solvents, owing to dipole-dipole cross talk and hydrogen bonding interactions, the H transfer process is followed by ultrafast nonradiative deactivation channels, including ultrafast internal conversion (IC) and intersystem crossing (ISC). This is likely to be driven by the twisting motion around the C-C bond between the hydroxyphenyl and thiazole moieties, facilitating the IC back to the enol ground state or to the keto triplet state. In addition, our femtosecond time-resolved fluorescence experiments indicate, for the first time, that the lifetime of the enol form in ACN is approximately 280 fs. This observation indicates that the solvent plays a crucial role in breaking the H bond and deactivating the excited state of the HBT. Interestingly, the broadband transient absorption and fluorescence up-conversion data clearly demonstrate that the intermolecular proton transfer from the excited HBT to the DMSO solvent is about 190 fs, forming the HBT anion excited state.

  11. Slow briefs: slow food....slow architecture

    OpenAIRE

    Crotch, Joanna

    2012-01-01

    We are moving too fast…fast lives, fast cars, fast food…..and fast architecture. We are caught up in a world that allows no time to stop and think; to appreciate and enjoy all the really important things in our lives. Recent responses to this seemingly unstoppable trend are the growing movements of Slow Food and Cittaslow. Both initiatives are, within their own realms, attempting to reverse speed, homogeny, expediency and globalisation, considering the values of regionality, patience, craft, ...

  12. Hydrogen bond strengthening induces fluorescence quenching of PRODAN derivative by turning on twisted intramolecular charge transfer

    Science.gov (United States)

    Yang, Yonggang; Li, Donglin; Li, Chaozheng; Liu, YuFang; Jiang, Kai

    2017-12-01

    Researchers have proposed different effective mechanisms of hydrogen bonding (HB) on the fluorescence of 6-propionyl-2-dimethylaminonaphthalene (PRODAN) and its derivatives. Herein, excited state transition and dynamics analysis confirm that the fluorescence of PD (a derivative of PRODAN with ethyl replaced by 3-hydroxy-2,2-dimethylpropan) emits from the planar intramolecular charge transfer (PICT) state rather than twist ICT (TICT) state, because the fluorescence emission and surface hopping from the TICT state to the twist ground (T-S0) state is energy forbidden. Nevertheless, the strengthening of intramolecular-HB (intra-HB) and intermolecular-HB (inter-HB) of PD-(methanol)2 smooth the pathway of surface hopping from TICT to T-S0 state and the external conversion going to planar ground state by decreasing the energy difference of the two states. This smoothing changes the fluorescence state of PD-(methanol)2 to the TICT state in which fluorescence emission does not occur but surface hopping, leading to the partial fluorescence quenching of PD in methanol solvent. This conclusion is different from previous related reports. Moreover, the inter-HB strengthening of PD-methanol in PICT state induces the cleavage of intra-HB and a fluorescence red-shift of 54 nm compared to PD. This red-shift increases to 66 nm for PD-(methanol)2 for the strengthening of the one intra-HB and two inter-HBs. The dipole moments of PD-methanol and PD-(methanol)2 respectively increase about 10.3D and 8.1D in PICT state compared to PD. The synergistic effect of intra-HB and inter-HB induces partial quenching of PD in methanol solvent by turning on the TICT state and fluorescence red-shift. This work gives a reasonable description on the fluorescence red-shift and partial quenching of PD in methanol solvent, which will bring insight into the study of spectroscopic properties of molecules owning better spectral characteristics.

  13. Evidence of quantum correlations in the H/D-transfer dynamics in the hydrogen bonds in partially deuterated benzoic acid crystals

    Science.gov (United States)

    Takeda, Sadamu; Tsuzumitani, Akihiko; Chatzidimitriou-Dreismann, C. A.

    1992-10-01

    A precise investigation of spin—lattice relaxation rates for protons and deuterons of partially deuterated benzoic acid crystals showed a remarkable quenching of the transfer rate of an HD pair in hydrogen-bonded dimeric units of carboxyl groups with increasing concentration of D in the surrounding hydrogen bonds. A similar effect was also observed for partially deuterated crystals of acetylenedicarboxylic acid. This finding supports recent theoretical predictions of thermally activated protonic quantum correlation in condensed matter and proposes a new mechanism for the proton transfer in hydrogen bonds in condensed matter.

  14. Technology Development for Hydrogen Propellant Storage and Transfer at the Kennedy Space Center (KSC)

    Science.gov (United States)

    Youngquist, Robert; Starr, Stanley; Krenn, Angela; Captain, Janine; Williams, Martha

    2016-01-01

    The National Aeronautics and Space Administration (NASA) is a major user of liquid hydrogen. In particular, NASA's John F. Kennedy (KSC) Space Center has operated facilities for handling and storing very large quantities of liquid hydrogen (LH2) since the early 1960s. Safe operations pose unique challenges and as a result NASA has invested in technology development to improve operational efficiency and safety. This paper reviews recent innovations including methods of leak and fire detection and aspects of large storage tank health and integrity. We also discuss the use of liquid hydrogen in space and issues we are addressing to ensure safe and efficient operations should hydrogen be used as a propellant derived from in-situ volatiles.

  15. Photoinduced electron transfer pathways in hydrogen-evolving reduced graphene oxide-boosted hybrid nano-bio catalyst.

    Science.gov (United States)

    Wang, Peng; Dimitrijevic, Nada M; Chang, Angela Y; Schaller, Richard D; Liu, Yuzi; Rajh, Tijana; Rozhkova, Elena A

    2014-08-26

    Photocatalytic production of clean hydrogen fuels using water and sunlight has attracted remarkable attention due to the increasing global energy demand. Natural and synthetic dyes can be utilized to sensitize semiconductors for solar energy transformation using visible light. In this study, reduced graphene oxide (rGO) and a membrane protein bacteriorhodopsin (bR) were employed as building modules to harness visible light by a Pt/TiO2 nanocatalyst. Introduction of the rGO boosts the nano-bio catalyst performance that results in hydrogen production rates of approximately 11.24 mmol of H2 (μmol protein)(-1) h(-1). Photoelectrochemical measurements show a 9-fold increase in photocurrent density when TiO2 electrodes were modified with rGO and bR. Electron paramagnetic resonance and transient absorption spectroscopy demonstrate an interfacial charge transfer from the photoexcited rGO to the semiconductor under visible light.

  16. Research and development on process components for hydrogen production. (1) Test-fabrication of sulfuric acid transfer pump

    International Nuclear Information System (INIS)

    Iwatsuki, Jin; Terada, Atsuhiko; Hino, Ryutaro; Kubo, Shinji; Onuki, Kaoru; Watanabe, Yutaka

    2009-01-01

    Japan Atomic Energy Agency has been conducting a research and development on hydrogen production system using High Temperature Gas-Cooled Reactor. As a part of this effort, thermochemical water-splitting cycle featuring iodine- and sulfur-compounds (IS process) is under development considering its potential of large-scale economical hydrogen production. The IS process constitutes very severe environments to the materials of construction because of the corrosive nature of process chemicals, especially of the high temperature acidic solutions of sulfuric acid and hydriodic acid dissolving iodine. Therefore, selection of the corrosion-resistant materials and development of the components have been the crucial subjects of process development. This paper concerns the sulfuric acid transfer pump. The development has been implemented of a pump for transporting concentrated sulfuric acid at temperatures of higher than 300degC and at elevated pressure. Recent progress of these activities will be reported. (author)

  17. Peptide-Driven Charge-Transfer Organogels Built from Synergetic Hydrogen Bonding and Pyrene-Naphthalenediimide Donor-Acceptor Interactions.

    Science.gov (United States)

    Bartocci, Silvia; Berrocal, José Augusto; Guarracino, Paola; Grillaud, Maxime; Franco, Lorenzo; Mba, Miriam

    2018-02-26

    The peptide-driven formation of charge transfer (CT) supramolecular gels featuring both directional hydrogen-bonding and donor-acceptor (D-A) complexation is reported. Our design consists of the coassembly of two dipeptide-chromophore conjugates, namely diphenylalanine (FF) dipeptide conveniently functionalized at the N-terminus with either a pyrene (Py-1, donor) or naphthalene diimide (NDI-1, acceptor). UV/Vis spectroscopy confirmed the formation of CT complexes. FTIR and 1 H NMR spectroscopy studies underlined the pivotal role of hydrogen bonding in the gelation process, and electronic paramagnetic resonance (EPR) measurements unraveled the advantage of preorganized CT supramolecular architectures for charge transport over solutions containing non-coassembled D and A molecular systems. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Hydrogen-transfer and charge transfer in photochemical and high energy radiation induced reactions: effects of thiols. Final report, February 1, 1960-january 31, 1979

    International Nuclear Information System (INIS)

    Cohen, S.G.

    1980-03-01

    Absorption of ultraviolet or visible light, or high energy radiation, may lead to highly reactive free radicals. Thiols affect the reactions of these radicals in the following ways: (1) transfer of hydrogen from sulfur of the thiol to a substrate radical, converting the radical to a stable molecule, and the thiol to a reactive thiyl radical; and (2) transfer of hydrogen from a substrate radical or molecule to thiyl, regenerating thiol. The thiol is thus used repeatedly and a single molecule may affect the consequences of many quanta. Three effects may ensue, depending upon the system irradiated: (1) the substrate radicals may be converted by thiol-thiyl to the original molecules, and protection against radiation damage is afforded. (2) The radicals may be converted to molecules not identical with the starting materials, and in both cases damage caused by radical combination processes is prevented. (3) Product yields may be increased where the initial radicals might otherwise regenerate starting materials. It was shown that rates of reaction of excited species can be correlated with triplet energies and reduction potentials, and with ionization potentials, that amines are very reactive toward excited carbonyl compounds of all types, and that yields of products from these reactions can be increased by thiols, leading to increased efficiency in utilization of light

  19. Development of Novel Electrode Materials for the Electrocatalysis of Oxygen-Transfer and Hydrogen-Transfer Reactions

    Energy Technology Data Exchange (ETDEWEB)

    Simpson, Brett Kimball [Iowa State Univ., Ames, IA (United States)

    2002-01-01

    Throughout this thesis, the fundamental aspects involved in the electrocatalysis of anodic O-transfer reactions and cathodic H-transfer reactions have been studied. The investigation into anodic O-transfer reactions at undoped and Fe(III)[doped MnO2 films] revealed that MnO2 film electrodes prepared by a cycling voltammetry deposition show improved response for DMSO oxidation at the film electrodes vs. the Au substrate. Doping of the MnO2 films with Fe(III) further enhanced electrode activity. Reasons for this increase are believed to involve the adsorption of DMSO by the Fe(III) sites. The investigation into anodic O-transfer reactions at undoped and Fe(III)-doped RuO2 films showed that the Fe(III)-doped RuO2-film electrodes are applicable for anodic detection of sulfur compounds. The Fe(III) sites in the Fe-RuO2 films are speculated to act as adsorption sites for the sulfur species while the Ru(IV) sites function for anodic discharge of H2O to generate the adsorbed OH species. The investigation into cathodic H-transfer reactions, specifically nitrate reduction, at various pure metals and their alloys demonstrated that the incorporation of metals into alloy materials can create a material that exhibits bifunctional properties for the various steps involved in the overall nitrate reduction reaction. The Sb10Sn20Ti70, Cu63Ni37 and Cu25Ni75 alloy electrodes exhibited improved activity for nitrate reduction as compared to their pure component metals. The Cu63Ni37 alloy displayed the highest activity for nitrate reduction. The final investigation was a detailed study of the electrocatalytic activity of cathodic H-transfer reactions (nitrate reduction) at various compositions of Cu-Ni alloy electrodes. Voltammetric response for NO3- at the Cu-Ni alloy electrode is superior to

  20. Determination of Backbone Amide Hydrogen Exchange Rates of Cytochrome c Using Partially Scrambled Electron Transfer Dissociation Data.

    Science.gov (United States)

    Hamuro, Yoshitomo; E, Sook Yen

    2018-05-01

    The technological goal of hydrogen/deuterium exchange-mass spectrometry (HDX-MS) is to determine backbone amide hydrogen exchange rates. The most critical challenge to achieve this goal is obtaining the deuterium incorporation in single-amide resolution, and gas-phase fragmentation may provide a universal solution. The gas-phase fragmentation may generate the daughter ions which differ by a single amino acid and the difference in deuterium incorporations in the two analogous ions can yield the deuterium incorporation at the sub-localized site. Following the pioneering works by Jørgensen and Rand, several papers utilized the electron transfer dissociation (ETD) to determine the location of deuterium in single-amide resolution. This paper demonstrates further advancement of the strategy by determining backbone amide hydrogen exchange rates, instead of just determining deuterium incorporation at a single time point, in combination with a wide time window monitoring. A method to evaluate the effects of scrambling and to determine the exchange rates from partially scrambled HDX-ETD-MS data is described. All parent ions for ETD fragmentation were regio-selectively scrambled: The deuterium in some regions of a peptide ion was scrambled while that in the other regions was not scrambled. The method determined 31 backbone amide hydrogen exchange rates of cytochrome c in the non-scrambled regions. Good fragmentation of a parent ion, a low degree of scrambling, and a low number of exchangeable hydrogens in the preceding side chain are the important factors to determine the exchange rate. The exchange rates determined by the HDX-MS are in good agreement with those determined by NMR. Graphical Abstract ᅟ.

  1. Determination of Backbone Amide Hydrogen Exchange Rates of Cytochrome c Using Partially Scrambled Electron Transfer Dissociation Data

    Science.gov (United States)

    Hamuro, Yoshitomo; E, Sook Yen

    2018-05-01

    The technological goal of hydrogen/deuterium exchange-mass spectrometry (HDX-MS) is to determine backbone amide hydrogen exchange rates. The most critical challenge to achieve this goal is obtaining the deuterium incorporation in single-amide resolution, and gas-phase fragmentation may provide a universal solution. The gas-phase fragmentation may generate the daughter ions which differ by a single amino acid and the difference in deuterium incorporations in the two analogous ions can yield the deuterium incorporation at the sub-localized site. Following the pioneering works by Jørgensen and Rand, several papers utilized the electron transfer dissociation (ETD) to determine the location of deuterium in single-amide resolution. This paper demonstrates further advancement of the strategy by determining backbone amide hydrogen exchange rates, instead of just determining deuterium incorporation at a single time point, in combination with a wide time window monitoring. A method to evaluate the effects of scrambling and to determine the exchange rates from partially scrambled HDX-ETD-MS data is described. All parent ions for ETD fragmentation were regio-selectively scrambled: The deuterium in some regions of a peptide ion was scrambled while that in the other regions was not scrambled. The method determined 31 backbone amide hydrogen exchange rates of cytochrome c in the non-scrambled regions. Good fragmentation of a parent ion, a low degree of scrambling, and a low number of exchangeable hydrogens in the preceding side chain are the important factors to determine the exchange rate. The exchange rates determined by the HDX-MS are in good agreement with those determined by NMR. [Figure not available: see fulltext.

  2. Electron transfer across multiple hydrogen bonds: the case of ureapyrimidinedione-substituted vinyl ruthenium and osmium complexes.

    Science.gov (United States)

    Pichlmaier, Markus; Winter, Rainer F; Zabel, Manfred; Zális, Stanislav

    2009-04-08

    Ruthenium and osmium complexes 2a,b and 3a,b featuring the N-4,6-dioxo-5,5-dibutyl- or the N-4,6-dioxo-5,5-di-(2-propenyl)-1,4,5,6-tetrahydropyrimidin-2-yl-N'(4-ethenylphenyl)-urea ligand dimerize by a self-complementary quadruply hydrogen-bonding donor/donor/acceptor/acceptor (DDAA) motif. We provide evidence that the dimeric structures are maintained in nonpolar solvents and in 0.1 M NBu(4)PF(6)/CH(2)Cl(2) supporting electrolyte solution. All complexes are reversibly oxidized in two consecutive two-electron oxidations (DeltaE(1/2) approximately = 500 mV) without any discernible potential splitting for the oxidation of the individual hydrogen-bridged redox active moieties. IR and UV/vis/NIR spectroelectrochemistry show a one-step conversion of the neutral to the dication without any discernible features of an intermediate monooxidized radical cation. Oxidation-induced IR changes of the NH and CO groups that are involved in hydrogen bonding are restricted to the styryl-bonded urea NH function. IR band assignments are aided by quantum chemical calculations. Our experimental findings clearly show that, at least in the present systems, the ureapyrimidinedione (Upy) DDAA hydrogen-bonding motif does not support electron transfer. The apparent reason is that neither of the hydrogen-bonding functionalities contributes to the occupied frontier levels. This results in nearly degenerate pairs of MOs representing the in-phase and out-of-phase combinations of the individual monomeric building blocks.

  3. Determination of Backbone Amide Hydrogen Exchange Rates of Cytochrome c Using Partially Scrambled Electron Transfer Dissociation Data

    Science.gov (United States)

    Hamuro, Yoshitomo; E, Sook Yen

    2018-03-01

    The technological goal of hydrogen/deuterium exchange-mass spectrometry (HDX-MS) is to determine backbone amide hydrogen exchange rates. The most critical challenge to achieve this goal is obtaining the deuterium incorporation in single-amide resolution, and gas-phase fragmentation may provide a universal solution. The gas-phase fragmentation may generate the daughter ions which differ by a single amino acid and the difference in deuterium incorporations in the two analogous ions can yield the deuterium incorporation at the sub-localized site. Following the pioneering works by Jørgensen and Rand, several papers utilized the electron transfer dissociation (ETD) to determine the location of deuterium in single-amide resolution. This paper demonstrates further advancement of the strategy by determining backbone amide hydrogen exchange rates, instead of just determining deuterium incorporation at a single time point, in combination with a wide time window monitoring. A method to evaluate the effects of scrambling and to determine the exchange rates from partially scrambled HDX-ETD-MS data is described. All parent ions for ETD fragmentation were regio-selectively scrambled: The deuterium in some regions of a peptide ion was scrambled while that in the other regions was not scrambled. The method determined 31 backbone amide hydrogen exchange rates of cytochrome c in the non-scrambled regions. Good fragmentation of a parent ion, a low degree of scrambling, and a low number of exchangeable hydrogens in the preceding side chain are the important factors to determine the exchange rate. The exchange rates determined by the HDX-MS are in good agreement with those determined by NMR. [Figure not available: see fulltext.

  4. γ-Sultam-cored N,N-ligands in the ruthenium(ii)-catalyzed asymmetric transfer hydrogenation of aryl ketones.

    Science.gov (United States)

    Rast, Slavko; Modec, Barbara; Stephan, Michel; Mohar, Barbara

    2016-02-14

    The synthesis of new enantiopure syn- and anti-3-(α-aminobenzyl)-benzo-γ-sultam ligands 6 and their application in the ruthenium(ii)-catalyzed asymmetric transfer hydrogenation (ATH) of ketones using formic acid/triethylamine is described. In particular, benzo-fused cyclic ketones afforded excellent enantioselectivities in reasonable time employing a low loading of the syn ligand-containing catalyst. A never-before-seen dynamic kinetic resolution (DKR) during reduction of a γ-keto carboxylic ester (S7) derivative of 1-indanone is realized leading as well to excellent induction.

  5. Catalytic biorefining of plant biomass to non-pyrolytic lignin bio-oil and carbohydrates through hydrogen transfer reactions.

    Science.gov (United States)

    Ferrini, Paola; Rinaldi, Roberto

    2014-08-11

    Through catalytic hydrogen transfer reactions, a new biorefining method results in the isolation of depolymerized lignin--a non-pyrolytic lignin bio-oil--in addition to pulps that are amenable to enzymatic hydrolysis. Compared with organosolv lignin, the lignin bio-oil is highly susceptible to further hydrodeoxygenation under low-severity conditions and therefore establishes a unique platform for lignin valorization by heterogeneous catalysis. Overall, the potential of a catalytic biorefining method designed from the perspective of lignin utilization is reported. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. CdS/TiO2 photoanodes via solution ion transfer method for highly efficient solar hydrogen generation

    Science.gov (United States)

    Krishna Karuturi, Siva; Yew, Rowena; Reddy Narangari, Parvathala; Wong-Leung, Jennifer; Li, Li; Vora, Kaushal; Tan, Hark Hoe; Jagadish, Chennupati

    2018-03-01

    Cadmium sulfide (CdS) is a unique semiconducting material for solar hydrogen generation applications with a tunable, narrow bandgap that straddles water redox potentials. However, its potential towards efficient solar hydrogen generation has not yet been realized due to low photon-to-current conversions, high charge carrier recombination and the lack of controlled preparation methods. In this work, we demonstrate a highly efficient CdS/TiO2 heterostructured photoelectrode using atomic layer deposition and solution ion transfer reactions. Enabled by the well-controlled deposition of CdS nanocrystals on TiO2 inverse opal (TiIO) nanostructures using the proposed method, a saturation photocurrent density of 9.1 mA cm-2 is realized which is the highest ever reported for CdS-based photoelectrodes. We further demonstrate that the passivation of a CdS surface with an ultrathin amorphous layer (˜1.5 nm) of TiO2 improves the charge collection efficiency at low applied potentials paving the way for unassisted solar hydrogen generation.

  7. Role of pendant proton relays and proton-coupled electron transfer on the hydrogen evolution reaction by nickel hangman porphyrins

    Science.gov (United States)

    Bediako, D. Kwabena; Solis, Brian H.; Dogutan, Dilek K.; Roubelakis, Manolis M.; Maher, Andrew G.; Lee, Chang Hoon; Chambers, Matthew B.; Hammes-Schiffer, Sharon; Nocera, Daniel G.

    2014-01-01

    The hangman motif provides mechanistic insights into the role of pendant proton relays in governing proton-coupled electron transfer (PCET) involved in the hydrogen evolution reaction (HER). We now show improved HER activity of Ni compared with Co hangman porphyrins. Cyclic voltammogram data and simulations, together with computational studies using density functional theory, implicate a shift in electrokinetic zone between Co and Ni hangman porphyrins due to a change in the PCET mechanism. Unlike the Co hangman porphyrin, the Ni hangman porphyrin does not require reduction to the formally metal(0) species before protonation by weak acids in acetonitrile. We conclude that protonation likely occurs at the Ni(I) state followed by reduction, in a stepwise proton transfer–electron transfer pathway. Spectroelectrochemical and computational studies reveal that upon reduction of the Ni(II) compound, the first electron is transferred to a metal-based orbital, whereas the second electron is transferred to a molecular orbital on the porphyrin ring. PMID:25298534

  8. External Mass Transfer Model for Hydrogen Peroxide Decomposition by Terminox Ultra Catalase in a Packed-Bed Reactor

    Directory of Open Access Journals (Sweden)

    Grubecki Ireneusz

    2017-06-01

    Full Text Available It is known that external diffusional resistances are significant in immobilized enzyme packed-bed reactors, especially at large scales. Thus, the external mass transfer effects were analyzed for hydrogen peroxide decomposition by immobilized Terminox Ultra catalase in a packed-bed bioreactor. For this purpose the apparent reaction rate constants, kP, were determined by conducting experimental works at different superficial velocities, U, and temperatures. To develop an external mass transfer model the correlation between the Colburn factor, JD, and the Reynolds number, Re, of the type JD = K Re(n-1 was assessed and related to the mass transfer coefficient, kmL. The values of K and n were calculated from the dependence (am kp-1 - kR-1 vs. Re-1 making use of the intrinsic reaction rate constants, kR, determined before. Based on statistical analysis it was found that the mass transfer correlation JD = 0.972 Re-0.368 predicts experimental data accurately. The proposed model would be useful for the design and optimization of industrial-scale reactors.

  9. Ultraviolet Absorption Induces Hydrogen-Atom Transfer in G⋅C Watson-Crick DNA Base Pairs in Solution.

    Science.gov (United States)

    Röttger, Katharina; Marroux, Hugo J B; Grubb, Michael P; Coulter, Philip M; Böhnke, Hendrik; Henderson, Alexander S; Galan, M Carmen; Temps, Friedrich; Orr-Ewing, Andrew J; Roberts, Gareth M

    2015-12-01

    Ultrafast deactivation pathways bestow photostability on nucleobases and hence preserve the structural integrity of DNA following absorption of ultraviolet (UV) radiation. One controversial recovery mechanism proposed to account for this photostability involves electron-driven proton transfer (EDPT) in Watson-Crick base pairs. The first direct observation is reported of the EDPT process after UV excitation of individual guanine-cytosine (G⋅C) Watson-Crick base pairs by ultrafast time-resolved UV/visible and mid-infrared spectroscopy. The formation of an intermediate biradical species (G[-H]⋅C[+H]) with a lifetime of 2.9 ps was tracked. The majority of these biradicals return to the original G⋅C Watson-Crick pairs, but up to 10% of the initially excited molecules instead form a stable photoproduct G*⋅C* that has undergone double hydrogen-atom transfer. The observation of these sequential EDPT mechanisms across intermolecular hydrogen bonds confirms an important and long debated pathway for the deactivation of photoexcited base pairs, with possible implications for the UV photochemistry of DNA. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. 2D heat and mass transfer modeling of methane steam reforming for hydrogen production in a compact reformer

    International Nuclear Information System (INIS)

    Ni Meng

    2013-01-01

    Highlights: ► A heat and mass transfer model is developed for a compact reformer. ► Hydrogen production from methane steam reforming is simulated. ► Increasing temperature greatly increases the reaction rates at the inlet. ► Temperature in the downstream is increased at higher rate of heat supply. ► Larger permeability enhances gas flow and reaction rates in the catalyst layer. - Abstract: Compact reformers (CRs) are promising devices for efficient fuel processing. In CRs, a thin solid plate is sandwiched between two catalyst layers to enable efficient heat transfer from combustion duct to the reforming duct for fuel processing. In this study, a 2D heat and mass transfer model is developed to investigate the fundamental transport phenomenon and chemical reaction kinetics in a CR for hydrogen production by methane steam reforming (MSR). Both MSR reaction and water gas shift reaction (WGSR) are considered in the numerical model. Parametric simulations are performed to examine the effects of various structural/operating parameters, such as pore size, permeability, gas velocity, temperature, and rate of heat supply on the reformer performance. It is found that the reaction rates of MSR and WGSR are the highest at the inlet but decrease significantly along the reformer. Increasing the operating temperature raises the reaction rates at the inlet but shows very small influence in the downstream. For comparison, increasing the rate of heat supply raises the reaction rates in the downstream due to increased temperature. A high gas velocity and permeability facilitates gas transport in the porous structure thus enhances reaction rates in the downstream of the reformer.

  11. The unusually strong hydrogen bond between the carbonyl of Q(A) and His M219 in the Rhodobacter sphaeroides reaction center is not essential for efficient electron transfer from Q(A)(-) to Q(B).

    Science.gov (United States)

    Breton, Jacques; Lavergne, Jérôme; Wakeham, Marion C; Nabedryk, Eliane; Jones, Michael R

    2007-06-05

    In native reaction centers (RCs) from photosynthetic purple bacteria the primary quinone (QA) and the secondary quinone (QB) are interconnected via a specific His-Fe-His bridge. In Rhodobacter sphaeroides RCs the C4=O carbonyl of QA forms a very strong hydrogen bond with the protonated Npi of His M219, and the Ntau of this residue is in turn coordinated to the non-heme iron atom. The second carbonyl of QA is engaged in a much weaker hydrogen bond with the backbone N-H of Ala M260. In previous work, a Trp side chain was introduced by site-directed mutagenesis at the M260 position in the RC of Rb. sphaeroides, resulting in a complex that is completely devoid of QA and therefore nonfunctional. A photochemically competent derivative of the AM260W mutant was isolated that contains a Cys side chain at the M260 position (denoted AM260(W-->C)). In the present work, the interactions between the carbonyl groups of QA and the protein in the AM260(W-->C) suppressor mutant have been characterized by light-induced FTIR difference spectroscopy of the photoreduction of QA. The QA-/QA difference spectrum demonstrates that the strong interaction between the C4=O carbonyl of QA and His M219 is lost in the mutant, and the coupled CO and CC modes of the QA- semiquinone are also strongly perturbed. In parallel, a band assigned to the perturbation of the C5-Ntau mode of His M219 upon QA- formation in the native RC is lacking in the spectrum of the mutant. Furthermore, a positive band between 2900 and 2400 cm-1 that is related to protons fluctuating within a network of highly polarizable hydrogen bonds in the native RC is reduced in amplitude in the mutant. On the other hand, the QB-/QB FTIR difference spectrum is essentially the same as for the native RC. The kinetics of electron transfer from QA- to QB were measured by the flash-induced absorption changes at 780 nm. Compared to native RCs the absorption transients are slowed by a factor of about 2 for both the slow phase (in the

  12. Modifications on the hydrogen bond network by mutations of Escherichia coli copper efflux oxidase affect the process of proton transfer to dioxygen leading to alterations of enzymatic activities

    Energy Technology Data Exchange (ETDEWEB)

    Kajikawa, Takao; Kataoka, Kunishige [Graduate School of Natural Science and Technology, Kanazawa University, Kakuma, Kanazawa 920-1192 (Japan); Sakurai, Takeshi, E-mail: tsakurai@se.kanazawa-u.ac.jp [Graduate School of Natural Science and Technology, Kanazawa University, Kakuma, Kanazawa 920-1192 (Japan)

    2012-05-25

    Highlights: Black-Right-Pointing-Pointer Proton transfer pathway to dioxygen in CueO was identified. Black-Right-Pointing-Pointer Glu506 is the key amino acid to transport proton. Black-Right-Pointing-Pointer The Ala mutation at Glu506 formed a compensatory proton transfer pathway. Black-Right-Pointing-Pointer The Ile mutation at Glu506 shut down the hydrogen bond network. -- Abstract: CueO has a branched hydrogen bond network leading from the exterior of the protein molecule to the trinuclear copper center. This network transports protons in the four-electron reduction of dioxygen. We replaced the acidic Glu506 and Asp507 residues with the charged and uncharged amino acid residues. Peculiar changes in the enzyme activity of the mutants relative to the native enzyme indicate that an acidic amino acid residue at position 506 is essential for effective proton transport. The Ala mutation resulted in the formation of a compensatory hydrogen bond network with one or two extra water molecules. On the other hand, the Ile mutation resulted in the complete shutdown of the hydrogen bond network leading to loss of enzymatic activities of CueO. In contrast, the hydrogen bond network without the proton transport function was constructed by the Gln mutation. These results exerted on the hydrogen bond network in CueO are discussed in comparison with proton transfers in cytochrome oxidase.

  13. Loss of ammonia during electron-transfer dissociation of deuterated peptides as an inherent gauge of gas-phase hydrogen scrambling

    DEFF Research Database (Denmark)

    Rand, Kasper D; Zehl, Martin; Jensen, Ole Nørregaard

    2010-01-01

    detected by a depletion of deuterium when deuterated ammonia is lost from peptides during ETD. This straightforward method requires no modifications to the experimental workflow and has the great advantage that the occurrence of hydrogen scrambling can be directly detected in the actual peptides analyzed......The application of electron-transfer dissociation (ETD) to obtain single-residue resolution in hydrogen exchange-mass spectrometry (HX-MS) experiments has recently been demonstrated. For such measurements, it is critical to ensure that the level of gas-phase hydrogen scrambling is negligible. Here...... we utilize the abundant loss of ammonia upon ETD of peptide ions as a universal reporter of positional randomization of the exchangeable hydrogens (hydrogen scrambling) during HX-ETD experiments. We show that the loss of ammonia from peptide ions proceeds without depletion of deuterium when employing...

  14. Complementary Strategies for Directed C(sp3 )-H Functionalization: A Comparison of Transition-Metal-Catalyzed Activation, Hydrogen Atom Transfer, and Carbene/Nitrene Transfer.

    Science.gov (United States)

    Chu, John C K; Rovis, Tomislav

    2018-01-02

    The functionalization of C(sp 3 )-H bonds streamlines chemical synthesis by allowing the use of simple molecules and providing novel synthetic disconnections. Intensive recent efforts in the development of new reactions based on C-H functionalization have led to its wider adoption across a range of research areas. This Review discusses the strengths and weaknesses of three main approaches: transition-metal-catalyzed C-H activation, 1,n-hydrogen atom transfer, and transition-metal-catalyzed carbene/nitrene transfer, for the directed functionalization of unactivated C(sp 3 )-H bonds. For each strategy, the scope, the reactivity of different C-H bonds, the position of the reacting C-H bonds relative to the directing group, and stereochemical outcomes are illustrated with examples in the literature. The aim of this Review is to provide guidance for the use of C-H functionalization reactions and inspire future research in this area. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Direct electron transfer biosensor for hydrogen peroxide carrying nanocomplex composed of horseradish peroxidase and Au-nanoparticle – Characterization and application to bienzyme systems

    Directory of Open Access Journals (Sweden)

    Yusuke Okawa

    2015-09-01

    Full Text Available A reagentless electrochemical biosensor for hydrogen peroxide was fabricated. The sensor carries a monolayer of nanocomplex composed of horseradish peroxidase and Au-nanoparticle, and responds to hydrogen peroxide through the highly efficient direct electron transfer at a mild electrode potential without any soluble mediator. Formation of the nanocomplex was studied with visible spectroscopy and size exclusion chromatography. The sensor performance was analyzed based on a hydrodynamic electrochemical technique and enzyme kinetics. The sensor was applied to fabrication of sensors for glucose and uric acid through further modification of the nanocomplex-carrying electrode with the corresponding hydrogen peroxide-generating oxidases, glucose oxidase and urate oxidase, respectively.

  16. Protein hydrogen exchange measured at single-residue resolution by electron transfer dissociation mass spectrometry

    DEFF Research Database (Denmark)

    Rand, Kasper D; Zehl, Martin; Jensen, Ole Nørregaard

    2009-01-01

    Because of unparalleled sensitivity and tolerance to protein size, mass spectrometry (MS) has become a popular method for measuring the solution hydrogen (1H/2H) exchange (HX) of biologically relevant protein states. While incorporated deuterium can be localized to different regions by pepsin....... The deuterium labeling pattern of beta2-microglobulin is retained in the gaseous fragment ions by employing mild declustering conditions for electrospray ionization. A recently developed model peptide is used to arrive at such ion source declustering conditions that prevent the occurrence of intramolecular gas...

  17. Deprotonation of flavonoids severely alters the thermodynamics of the hydrogen atom transfer

    Czech Academy of Sciences Publication Activity Database

    Klein, E.; Rimarčík, J.; Senajová, E.; Vagánek, A.; Lengyel, Jozef

    2016-01-01

    Roč. 1085, JUN 2016 (2016), s. 7-17 ISSN 2210-271X R&D Projects: GA ČR GA14-14082S Institutional support: RVO:61388955 Keywords : Primary antioxidant * Flavonoid * dft * Bond dissociation enthalpy * Sequential proton-loss electron-transfer Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.549, year: 2016

  18. Efficient transfer hydrogenation reaction Catalyzed by a dearomatized PN 3P ruthenium pincer complex under base-free Conditions

    KAUST Repository

    He, Lipeng

    2012-03-01

    A dearomatized complex [RuH(PN 3P)(CO)] (PN 3PN, N′-bis(di-tert-butylphosphino)-2,6-diaminopyridine) (3) was prepared by reaction of the aromatic complex [RuH(Cl)(PN 3P)(CO)] (2) with t-BuOK in THF. Further treatment of 3 with formic acid led to the formation of a rearomatized complex (4). These new complexes were fully characterized and the molecular structure of complex 4 was further confirmed by X-ray crystallography. In complex 4, a distorted square-pyramidal geometry around the ruthenium center was observed, with the CO ligand trans to the pyridinic nitrogen atom and the hydride located in the apical position. The dearomatized complex 3 displays efficient catalytic activity for hydrogen transfer of ketones in isopropanol. © 2011 Elsevier B.V. All rights reserved.

  19. Slow Antihydrogen

    International Nuclear Information System (INIS)

    Gabrielse, G.; Speck, A.; Storry, C.H.; Le Sage, D.; Guise, N.; Larochelle, P.C.; Grzonka, D.; Oelert, W.; Schepers, G.; Sefzick, T.; Pittner, H.; Herrmann, M.; Walz, J.; Haensch, T.W.; Comeau, D.; Hessels, E.A.

    2004-01-01

    Slow antihydrogen is now produced by two different production methods. In Method I, large numbers of H atoms are produced during positron-cooling of antiprotons within a nested Penning trap. In a just-demonstrated Method II, lasers control the production of antihydrogen atoms via charge exchange collisions. Field ionization detection makes it possible to probe the internal structure of the antihydrogen atoms being produced - most recently revealing atoms that are too tightly bound to be well described by the guiding center atom approximation. The speed of antihydrogen atoms has recently been measured for the first time. After the requested overview, the recent developments are surveyed

  20. Heat transfer problems for the production of hydrogen from geothermal energy

    International Nuclear Information System (INIS)

    Sigurvinsson, J.; Mansilla, C.; Arnason, B.; Bontemps, A.; Marechal, A.; Sigfusson, T.I.; Werkoff, F.

    2006-01-01

    Electrolysis at low temperature is currently used to produce Hydrogen. From a thermodynamic point of view, it is possible to improve the performance of electrolysis while functioning at high temperature (high temperature electrolysis: HTE). That makes it possible to reduce energy consumption but requires a part of the energy necessary for the dissociation of water to be in the form of thermal energy. A collaboration between France and Iceland aims at studying and then validating the possibilities of producing hydrogen with HTE coupled with a geothermal source. The influence of the exit temperature on the cost of energy consumption of the drilling well is detailed. To vaporize the water to the electrolyser, it should be possible to use the same technology currently used in the Icelandic geothermal context for producing electricity by using a steam turbine cycle. For heating the steam up to the temperature needed at the entrance of the electrolyser three kinds of heat exchangers could be used, according to specific temperature intervals

  1. Evaluation of power transfer efficiency for a high power inductively coupled radio-frequency hydrogen ion source

    Science.gov (United States)

    Jain, P.; Recchia, M.; Cavenago, M.; Fantz, U.; Gaio, E.; Kraus, W.; Maistrello, A.; Veltri, P.

    2018-04-01

    Neutral beam injection (NBI) for plasma heating and current drive is necessary for International Thermonuclear Experimental reactor (ITER) tokamak. Due to its various advantages, a radio frequency (RF) driven plasma source type was selected as a reference ion source for the ITER heating NBI. The ITER relevant RF negative ion sources are inductively coupled (IC) devices whose operational working frequency has been chosen to be 1 MHz and are characterized by high RF power density (˜9.4 W cm-3) and low operational pressure (around 0.3 Pa). The RF field is produced by a coil in a cylindrical chamber leading to a plasma generation followed by its expansion inside the chamber. This paper recalls different concepts based on which a methodology is developed to evaluate the efficiency of the RF power transfer to hydrogen plasma. This efficiency is then analyzed as a function of the working frequency and in dependence of other operating source and plasma parameters. The study is applied to a high power IC RF hydrogen ion source which is similar to one simplified driver of the ELISE source (half the size of the ITER NBI source).

  2. Efficient Synthesis of Functionalized 1-oxo-1-phenyl-2-acetic Acids through Ru(II)-catalyzed Transfer Hydrogenation

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xiaowei; Gong, Binwei; Meng, Yanqiu [Shenyang Univ. of Chemical Technology, Shenyang (Korea, Republic of); Yan, Yunnan [Gannan Medical Univ., Ganzhou (Korea, Republic of); Tang, Xiaobo; Eric Xu, H.; Yi, Wei [Chinese Academy of Sciences, Shanghai (China); Li, Qiu [Univ. of Science and Technology of China, Suzhou (China)

    2013-10-15

    A new and alternative method for the efficient synthesis of indanylacetic acid 2 has been developed. The methodology used RuCl(p-cymene)[(R,R)-TsDPEN] as the catalyst and formic acid-triethylamine as the hydrogen source at room temperature under solvent-free conditions, and the reactions have excellent chemoselectivity and good compatibility of substrates. Used our developed method as the starting step, gram scale synthesis of GR24 was achieved smoothly with an overall yield of 72%. All the results suggested that further development of such methodology may be of interest. Further work to establish the mechanistic reasons for selectivity and to further explore the synthetic scope of this mode of transfer hydrogenation is in progress. The synthetic SL analog, GR24 is a very potent germination stimulant, which is widely used in parasitic weed research to stimulate germination and as a standard for comparison of new germinating agents. Owing to the prevalence of GR24, its total synthesis constitutes a hot area of research. So far all known synthetic routes of GR24 used indanylacetic acid 2 as a key intermediate, for which very few methods of building compound 2 have been reported.

  3. Single step synthesis of gold-amino acid composite, with the evidence of the catalytic hydrogen atom transfer (HAT) reaction, for the electrochemical recognition of Serotonin

    Science.gov (United States)

    Choudhary, Meenakshi; Siwal, Samarjeet; Nandi, Debkumar; Mallick, Kaushik

    2016-03-01

    A composite architecture of amino acid and gold nanoparticles has been synthesized using a generic route of 'in-situ polymerization and composite formation (IPCF)' [1,2]. The formation mechanism of the composite has been supported by a model hydrogen atom (H•≡H++e-) transfer (HAT) type of reaction which belongs to the proton coupled electron transfer (PCET) mechanism. The 'gold-amino acid composite' was used as a catalyst for the electrochemical recognition of Serotonin.

  4. Heat and momentum transfer from an atmospheric argon hydrogen plasma jet to spherical particles

    International Nuclear Information System (INIS)

    Vaessen, P.H.M.

    1984-01-01

    In this thesis the author describes the energy and momentum transfer from the plasma jet to the spray particles. This is done both experimentally and theoretically. Also the internal energy process of the recombining plasma is discussed. All elastic and inelastic collisional and radiative processes, as well as transport effects within the plasma are considered. In the next section, the so called passive spectroscopy is treated. It describes the diagnostics of electron density and temperature measurement, as well as the investigation on heat content of the particles. Spatially resolved electron density and temperature profiles are presented. Next, the active spectroscopy, i.e. the laser Doppler anemometer is dealt with. With this diagnostic, axial spray-particle velocities inside the plasma jet were determined. The author also presents heat and momentum transfer modelling of the plasma, related to the plasma particle interaction. Finally, a one dimensional model verification is made, using the experimentally determined particle velocity and plasma temperature profiles. (Auth.)

  5. One-pot reduction of 5-hydroxymethylfurfural via hydrogen transfer from supercritical methanol

    DEFF Research Database (Denmark)

    Hansen, Thomas Søndergaard; Barta, Katalin; Anastas, Paul T.

    2012-01-01

    Catalytic conversion of HMF to valuable chemicals was achieved over a Cu-doped porous metal oxide in supercritical methanol. The hydrotalcite catalyst precursor is prepared following simple synthetic procedures, using inexpensive and earth-abundant starting materials in aqueous solutions. The hyd......Catalytic conversion of HMF to valuable chemicals was achieved over a Cu-doped porous metal oxide in supercritical methanol. The hydrotalcite catalyst precursor is prepared following simple synthetic procedures, using inexpensive and earth-abundant starting materials in aqueous solutions....... The hydrogen equivalents needed for the reductive deoxygenation of HMF originate from the solvent itself upon its reforming. Dimethylfuran, dimethyltetrahydrofuran and 2-hexanol were obtained in good yields. At milder reaction temperatures, a combined yield (DMF + DMTHF) of 58% was achieved. Notably...

  6. The Scattering of Slow Neutrons from Hydrogen and Ethylene; Diffusion des neutrons lents par l'hydrogene et par l'ethylene; O rasseyanii medlennykh nejtronov vodorodom i ehtilenom; Dispersion de neutrones lentos por hidrogeno y etileno

    Energy Technology Data Exchange (ETDEWEB)

    Bally, D; Tarina, V; Todireanu, S [Institute of Atomic Physics, Bucharest (Romania)

    1963-01-15

    The angular distribution of 1.61 A wavelength neutrons scattered from hydrogen and ethylene has been measured. For ethylene the pressure was varied from 15 to 60 atm and for hydrogen from 60 to 110 atm. The investigated angular range was between 5''o and 90{sup o}. The experimental results obtained have been compared with the differential cross-section calculated using the Krieger-Nelkin formulae. (author) [French] Les auteurs ont mesure la distribution angulaire des neutrons ayant une longueur d'onde de 1,61 A diffuses par de l'hydrogene et par l'ethylene. Ils ont fait varier la pression de l'ethylene de 15 a 60 atm et celle de l'hydrogene de 60 a 110 atm. Le domaine angulaire etudie etait compris entre 5{sup o} et 90{sup o}. Les resultats des experiences ont ete compares aux sections efficaces differentielles calculees au moyen des formules de Krieger-Nelkin. (author) [Spanish] Los autores han medido la distribucion angular de neutrones de longitud de onda igual a 1,61 A, despersados por hidrogeno y etileno. En el caso del etileno, la presion vario de 15 a 60 atm y en el del higrogeno, de 60 a 110 atm. Los autores han explorado angulos comprendidos entre 5{sup o} y 90{sup o}. comparan los resultados experimentales obtenidos con el valor de la seccion eficaz diferencial calculado con ayuda de las formulas de Kriger-Nelkin. (author)

  7. Microscopic mechanism of electron transfer through the hydrogen bonds between carboxylated alkanethiol molecules connected to gold electrodes

    KAUST Repository

    Li, Yang; Tu, Xingchen; Wang, Minglang; Wang, Hao; Sanvito, Stefano; Hou, Shimin

    2014-01-01

    © 2014 AIP Publishing LLC. The atomic structure and the electron transfer properties of hydrogen bonds formed between two carboxylated alkanethiol molecules connected to gold electrodes are investigated by employing the non-equilibrium Green's function formalism combined with density functional theory. Three types of molecular junctions are constructed, in which one carboxyl alkanethiol molecule contains two methylene, -CH2, groups and the other one is composed of one, two, or three -CH2 groups. Our calculations show that, similarly to the cases of isolated carboxylic acid dimers, in these molecular junctions the two carboxyl, -COOH, groups form two H-bonds resulting in a cyclic structure. When self-interaction corrections are explicitly considered, the calculated transmission coefficients of these three H-bonded molecular junctions at the Fermi level are in good agreement with the experimental values. The analysis of the projected density of states confirms that the covalent Au-S bonds localized at the molecule-electrode interfaces and the electronic coupling between -COOH and S dominate the low-bias junction conductance. Following the increase of the number of the -CH2 groups, the coupling between -COOH and S decreases deeply. As a result, the junction conductance decays rapidly as the length of the H-bonded molecules increases. These findings not only provide an explanation to the observed distance dependence of the electron transfer properties of H-bonds, but also help the design of molecular devices constructed through H-bonds.

  8. Microscopic mechanism of electron transfer through the hydrogen bonds between carboxylated alkanethiol molecules connected to gold electrodes

    KAUST Repository

    Li, Yang

    2014-11-07

    © 2014 AIP Publishing LLC. The atomic structure and the electron transfer properties of hydrogen bonds formed between two carboxylated alkanethiol molecules connected to gold electrodes are investigated by employing the non-equilibrium Green\\'s function formalism combined with density functional theory. Three types of molecular junctions are constructed, in which one carboxyl alkanethiol molecule contains two methylene, -CH2, groups and the other one is composed of one, two, or three -CH2 groups. Our calculations show that, similarly to the cases of isolated carboxylic acid dimers, in these molecular junctions the two carboxyl, -COOH, groups form two H-bonds resulting in a cyclic structure. When self-interaction corrections are explicitly considered, the calculated transmission coefficients of these three H-bonded molecular junctions at the Fermi level are in good agreement with the experimental values. The analysis of the projected density of states confirms that the covalent Au-S bonds localized at the molecule-electrode interfaces and the electronic coupling between -COOH and S dominate the low-bias junction conductance. Following the increase of the number of the -CH2 groups, the coupling between -COOH and S decreases deeply. As a result, the junction conductance decays rapidly as the length of the H-bonded molecules increases. These findings not only provide an explanation to the observed distance dependence of the electron transfer properties of H-bonds, but also help the design of molecular devices constructed through H-bonds.

  9. Analysis of the effects of explosion of a hydrogen cylinder on the transfer of radioactive liquid wastes at nuclear power stations

    International Nuclear Information System (INIS)

    Lopes, Karina B.; Melo, Paulo Fernando F.F. e

    2011-01-01

    This work presents a study of explosion effects of a stored hydrogen cylinder on the transfer of radioactive liquid wastes at nuclear power plants. The peak overpressure is calculated, as well as the strength of resulting fragments, thus confirming the main harmful effect of an explosion of flammable vapor cloud, based on the TNT equivalent method. The scenarios identified are calculated and compared with the overpressure ranges of 1%, 50% and 99% of structural damages, which were determined by the Eisenberg's vulnerability model. The results show that the overpressure and the resulting fragments from the explosion of a hydrogen gas cylinder are not able to cause the overturning of the tanker under study, and also show that a minimum distance of 30 meters between the hydrogen cylinder and the tanker can be considered a safe distance to the passage of this tanker during the transfer of radioactive liquid waste, in which the likelihood of occurrence of structural damages is less than 1%. (author)

  10. Bimetallic promotion of cooperative hydrogen transfer and heteroatom removal in coal liquefaction. Final technical report, September 1, 1988--December 31, 1991

    Energy Technology Data Exchange (ETDEWEB)

    Eisch, J.J.

    1992-04-07

    The ultimate objective of this research has been to uncover novel reagents and experimental conditions for heteroatom removal and hydrogen transfer processes, which would be applicable to the liquefaction of coal under low-severity conditions. To this end, one phase of this research has investigated the cleavage of carbon-heteroatom bonds involving sulfur, oxygen, nitrogen and halogen by subvalent transition-metal complexes. A second phase of the study has assessed the capability of the same transition-metal complexes or of organoaluminum Lewis acids to catalyze the cleavage of carbon-hydrogen bonds in aromatics and hence to promote hydrogen shuttling. Finally, a third phase of our work has uncovered a remarkable synergistic effect of combinations of transition metals with organoaluminum Lewis acids on hydrogen shuttling between aromatics and hydroaromatics. (VC)

  11. Transferring metallic nano-island on hydrogen passivated silicon surface for nano-electronics

    International Nuclear Information System (INIS)

    Deng, J; Troadec, C; Joachim, C

    2009-01-01

    In a planar configuration, precise positioning of ultra-flat metallic nano-islands on semiconductor surface opens a way to construct nanostructures for atomic scale interconnects. Regular triangular Au nano-islands have been grown on atomically flat MoS 2 substrates and manipulated by STM to form nanometer gap metal-pads connector for single molecule electronics study. The direct assembly of regular shaped metal nano-islands on H-Si(100) is not achievable. Here we present how to transfer Au triangle nano-islands from MoS 2 onto H-Si(100) in a clean manner. In this experiment, clean MoS 2 substrates are patterned as array of MoS 2 pillars with height of 8 μm. The Au triangle nano-islands are grown on top of the pillars. Successful printing transfer of these Au nano-islands from the MoS 2 pillars to the H-Si(100) is demonstrated.

  12. Electrochemical studies of a reconstituted photosynthetic electron-transfer chain or towards a biomimetic photoproduction of hydrogen; Etudes electrochimiques de chaines de transfert d'electrons photosynthetiques ou vers une photoproduction biomimetique d'hydrogene

    Energy Technology Data Exchange (ETDEWEB)

    Fourmond, V

    2007-04-15

    The aim of this work is to find an efficient process to convert solar energy into hydrogen. The electrons transfers in reconstituted photosynthetic chains have been particularly studied with the aims 1)in one hand, to better understand the interactions of the different molecules of the photosynthetic chain in order to optimize the changes of the entire organisms for hydrogen production 2)in another hand, to insert the hydrogenases in a photosynthetic chain and then to photo reduce them in order to obtain kinetic data to better understand how it works. (O.M.)

  13. Alterations in brain white matter contributing to age-related slowing of task switching performance : The role of radial diffusivity and magnetization transfer ratio

    NARCIS (Netherlands)

    Serbruyns, Leen; Leunissen, Inge; van Ruitenbeek, Peter; Pauwels, Lisa; Caeyenberghs, Karen; Solesio-Jofre, Elena; Geurts, Monique; Cuypers, Koen; Meesen, Raf L.; Sunaert, Stefan; Leemans, Alexander; Swinnen, Stephan P.

    2016-01-01

    Successfully switching between tasks is critical in many daily activities. Age-related slowing of this switching behavior has been documented extensively, but the underlying neural mechanisms remain unclear. Here, we investigated the contribution of brain white matter changes associated with myelin

  14. Vibrationally-resolved Charge Transfer of O^3+ Ions with Molecular Hydrogen

    Science.gov (United States)

    Wang, J. G.; Stancil, P. C.; Turner, A. R.; Cooper, D. L.

    2003-05-01

    Charge transfer processes due to collisions of ground state O^3+ ions with H2 are investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) method. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained with the spin-coupled valence-bond approach. Vibrationally-resolved cross sections for energies between 0.1 eV/u and 2 keV/u using the infinite order sudden approximation (IOSA), vibrational sudden approximation (VSA), and electronic approximation (EA), but including Frank-Condon factors (the centroid approximation) will be presented. Comparison with existing experimental data for total cross sections shows best agreement with IOSA and discrepancies for VSA and EA. Triplet-singlet cross section ratios obtained with IOSA are found generally to be in harmony with experiment. JGW and PCS acknowledge support from NASA grant 11453.

  15. Comparison of thermally and mechanically induced Si layer transfer in hydrogen-implanted Si wafers

    International Nuclear Information System (INIS)

    Hoechbauer, T.; Misra, A.; Nastasi, M.; Henttinen, K.; Suni, T.; Suni, I.; Lau, S.S.; Ensinger, W.

    2004-01-01

    Hydrogen ion-implantation into Si and subsequent heat treatment has been shown to be an effective means of cleaving thin layer of Si from its parent wafer. This process has been called Smart Cut TM or ion-cut. We investigated the cleavage process in H-implanted silicon samples, in which the ion-cut was provoked thermally and mechanically, respectively. A oriented p-type silicon wafer was irradiated at room temperature with 100 keV H 2 + -ions to a dose of 5 x 10 16 H 2 /cm 2 and subsequently joined to a handle wafer. Ion-cutting was achieved by two different methods: (1) thermally by annealing to 350 deg. C and (2) mechanically by insertion of a razor blade sidewise into the bonded wafers near the bond interface. The H-concentration and the crystal damage depth profiles before and after the ion-cut were investigated through the combined use of elastic recoil detection analysis and Rutherford backscattering spectroscopy (RBS). The location at which the ion-cut occurred was determined by RBS in channeling mode and cross-section transmission electron spectroscopy. The ion-cut depth was found to be independent on the cutting method. The gained knowledge was correlated to the depth distribution of the H-platelet density in the as-implanted sample, which contains two separate peaks in the implantation zone. The obtained results suggest that the ion-cut location coincides with the depth of the H-platelet density peak located at a larger depth

  16. Furfural to Furfuryl Alcohol: Computational Study of the Hydrogen Transfer on Lewis Acidic BEA Zeolites and Effects of Cation Exchange and Tetravalent Metal Substitution.

    Science.gov (United States)

    Prasertsab, Anittha; Maihom, Thana; Probst, Michael; Wattanakit, Chularat; Limtrakul, Jumras

    2018-06-04

    The hydrogen transfer of furfural to furfuryl alcohol with i-propanol as the hydrogen source over cation-exchanged Lewis acidic BEA zeolite has been investigated by means of density functional calculations. The reaction proceeds in three steps. First the O-H bond of i-propanol is broken to form a propoxide intermediate. After that, the furylmethoxy intermediate is formed via hydrogen transfer process, and finally furylmethoxy abstracts the proton to form the furfuryl alcohol product. The second step is rate-determining by requiring the highest activation energy (23.8 kcal/mol) if the reaction takes place on Li-Sn-BEA zeolite. We find that the catalytic activity of various cation-exchanged Sn-BEA zeolites is in the order Li-Sn-BEA > Na-Sn-BEA > K-Sn-BEA. The lower activation energy for Li-Sn-BEA compared to Na-Sn-BEA and K-Sn-BEA can be explained by the larger charge transfer from the carbonyl bond to the catalyst, leading to its activation and to the attraction of the hydrogen being transferred. The larger charge transfer in turn is due to the smaller gap between the energies of furfural HOMO and the zeolite LUMO in Li-Sn-BEA, compared to both Na-Sn-BEA and K-Sn-BEA. In a similar way, we also compare the catalytic activity of tetravalent metal centers (Sn, Zr, and Hf) substituted into BEA and find in the order Zr ≥ Hf > Sn, based on activation energies. Finally we investigate statistically which property of the reactants is a suitable descriptor for an approximative prediction of the reaction rate in order to be able to quickly screen promising catalytic materials for this reaction.

  17. Role of bonding mechanisms during transfer hydrogenation reaction on heterogeneous catalysts of platinum nanoparticles supported on zinc oxide nanorods

    Science.gov (United States)

    Al-Alawi, Reem A.; Laxman, Karthik; Dastgir, Sarim; Dutta, Joydeep

    2016-07-01

    For supported heterogeneous catalysis, the interface between a metal nanoparticle and the support plays an important role. In this work the dependency of the catalytic efficiency on the bonding chemistry of platinum nanoparticles supported on zinc oxide (ZnO) nanorods is studied. Platinum nanoparticles were deposited on ZnO nanorods (ZnO NR) using thermal and photochemical processes and the effects on the size, distribution, density and chemical state of the metal nanoparticles upon the catalytic activities are presented. The obtained results indicate that the bonding at Pt-ZnO interface depends on the deposition scheme which can be utilized to modulate the surface chemistry and thus the activity of the supported catalysts. Additionally, uniform distribution of metal on the catalyst support was observed to be more important than the loading density. It is also found that oxidized platinum Pt(IV) (platinum hydroxide) provided a more suitable surface for enhancing the transfer hydrogenation reaction of cyclohexanone with isopropanol compared to zero valent platinum. Photochemically synthesized ZnO supported nanocatalysts were efficient and potentially viable for upscaling to industrial applications.

  18. Catalytic Transfer Hydrogenation of Furfural to Furfuryl Alcohol over Nitrogen-Doped Carbon-Supported Iron Catalysts.

    Science.gov (United States)

    Li, Jiang; Liu, Jun-Ling; Zhou, Hong-Jun; Fu, Yao

    2016-06-08

    Iron-based heterogeneous catalysts, which were generally prepared by pyrolysis of iron complexes on supports at elevated temperature, were found to be capable of catalyzing the transfer hydrogenation of furfural (FF) to furfuryl alcohol (FFA). The effects of metal precursor, nitrogen precursor, pyrolysis temperature, and support on catalytic performance were examined thoroughly, and a comprehensive study of the reaction parameters was also performed. The highest selectivity of FFA reached 83.0 % with a FF conversion of 91.6 % under the optimal reaction condition. Catalyst characterization suggested that iron cations coordinated by pyridinic nitrogen functionalities were responsible for the enhanced catalytic activity. The iron catalyst could be recycled without significant loss of catalytic activity for five runs, and the destruction of the nitrogen-iron species, the presence of crystallized Fe2 O3 phase, and the pore structure change were the main reasons for catalyst deactivation. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Detection of the sulfhydryl groups in proteins with slow hydrogen exchange rates and determination of their proton/deuteron fractionation factors using the deuterium-induced effects on the 13C(beta) NMR signals.

    Science.gov (United States)

    Takeda, Mitsuhiro; Jee, JunGoo; Terauchi, Tsutomu; Kainosho, Masatsune

    2010-05-05

    A method for identifying cysteine (Cys) residues with sulfhydryl (SH) groups exhibiting slow hydrogen exchange rates has been developed for proteins in aqueous media. The method utilizes the isotope shifts of the C(beta) chemical shifts induced by the deuteration of the SH groups. The 18.2 kDa E. coli peptidyl prolyl cis-trans isomerase b (EPPIb), which was selectively labeled with [3-(13)C;3,3-(2)H(2)]Cys, showed much narrower line widths for the (13)C(beta) NMR signals, as compared to those of the proteins labeled with either [3-(13)C]Cys or (3R)-[3-(13)C;3-(2)H]Cys. The (13)C(beta) signals of the two Cys residues of EPPIb, i.e. Cys-31 and Cys-121, labeled with [3-(13)C;3,3-(2)H(2)]Cys, split into four signals in H(2)O/D(2)O (1:1) at 40 degrees C and pH 7.5, indicating that the exchange rates of the side-chain SH's and the backbone amides are too slow to average the chemical shift differences of the (13)C(beta) signals, due to the two- and three-bond isotope shifts. By virtue of the well-separated signals, the proton/deuteron fractional factors for both the SH and amide groups of the two Cys residues in EPPIb could be directly determined, as approximately 0.4-0.5 for [SD]/[SH] and 0.9-1.0 for [ND]/[NH], by the relative intensities of the NMR signals for the isotopomers. The proton NOE's of the two slowly exchanging SH's were clearly identified in the NOESY spectra and were useful for the determining the local structure of EPPIb around the Cys residues.

  20. Transfer

    DEFF Research Database (Denmark)

    Wahlgren, Bjarne; Aarkrog, Vibe

    Bogen er den første samlede indføring i transfer på dansk. Transfer kan anvendes som praksis-filosofikum. Den giver en systematisk indsigt til den studerende, der spørger: Hvordan kan teoretisk viden bruges til at reflektere over handlinger i situationer, der passer til min fremtidige arbejdsplads?...

  1. Rational construction of multiple interfaces in ternary heterostructure for efficient spatial separation and transfer of photogenerated carriers in the application of photocatalytic hydrogen evolution

    Science.gov (United States)

    Shi, Jian-Wen; Ma, Dandan; Zou, Yajun; Fan, Zhaoyang; Shi, Jinwen; Cheng, Linhao; Ji, Xin; Niu, Chunming

    2018-03-01

    The design of efficient and stable photocatalyst plays a critical role in the photocatalytic hydrogen evolution from water splitting. Herein, we develop a novel ZnS/CdS/ZnO ternary heterostructure by the in-situ sulfuration of CdS/ZnO, which includes four contact interfaces: CdS-ZnS interface, ZnS-ZnO interface, CdS-ZnO interface and ZnS-CdS-ZnO ternary interface, forming three charge carrier-transfer modes (type-I, type-II and direct Z-scheme) through five carrier-transfer pathways. As a result, the separation and transfer of photoexcited electron-hole pairs are promoted significantly, resulting in a high hydrogen evolution rate of 44.70 mmol h-1 g-1, which is 2, 3.7 and 8 times higher than those of binary heterostructures, CdS/ZnO, CdS/ZnS and ZnS/ZnO, respectively, and 26.5, 280 and 298 times higher than those of single CdS, ZnO and ZnS, respectively. As a counterpart ternary heterostructure, CdS/ZnS/ZnO contains only two interfaces: CdS-ZnS interface and ZnS-ZnO interface, which form two charge carrier-transfer modes (type-I and type-II) through two carrier-transfer pathways, leading to its much lower hydrogen evolution rate (27.25 mmol h-1 g-1) than ZnS/CdS/ZnO ternary heterostructure. This work is relevant for understanding the charge-transfer pathways between multi-interfaces in multicomponent heterojunctions.

  2. Determination of hydrogen in milligram quantities of titanium and its alloys

    Science.gov (United States)

    Otterson, D. A.; Smith, R. J.

    1973-01-01

    An accurate, versatile, and sensitive method for the determination of hydrogen in milligram-size titanium samples is presented. It involves extraction of hydrogen at 1070 K while a mercury diffusion pump transfers the evolved gases into the inlet of a mass spectrometer. All the evolved gases may then be positively identified and determined. This method can be readily adapted for use with other metals and for the study of the slow evolution of hydrogen. Reduction of interferences due to the evolution of hydrogen by reactions involving vapors such as those of water, acetone, and vacuum grease is discussed.

  3. Direct Vinylation of Alcohols or Aldehydes Employing Alkynes as Vinyl Donors: A Ruthenium Catalyzed C-C Bond Forming Transfer Hydrogenation

    Science.gov (United States)

    Patman, Ryan L.; Chaulagain, Mani Raj; Williams, Vanessa M.; Krische, Michael J.

    2011-01-01

    Under the conditions of ruthenium catalyzed transfer hydrogenation, 2-butyne couples to benzylic and aliphatic alcohols 1a–1i to furnish allylic alcohols 2a–2i, constituting a direct C-H vinylation of alcohols employing alkynes as vinyl donors. Under related transfer hydrogenation conditions employing formic acid as terminal reductant, 2-butyne couples to aldehydes 4a, 4b, and 4e to furnish identical products of carbonyl vinylation 2a, 2b, and 2e. Thus, carbonyl vinylation is achieved from the alcohol or the aldehyde oxidation level in the absence of any stoichiometric metallic reagents. Nonsymmetric alkynes 6a–6c couple efficiently to aldehyde 4b to provide allylic alcohols 2m–2o as single regioisomers. Acetylenic aldehyde 7a engages in efficient intramolecular coupling to deliver cyclic allylic alcohol 8a. PMID:19173651

  4. Low energy cross section data for ion-molecule reactions in hydrogen systems and for charge transfer of multiply charged ions with atoms and molecules

    International Nuclear Information System (INIS)

    Okuno, Kazuhiko

    2007-04-01

    Systematic cross section measurements for ion-molecule reactions in hydrogen systems and for charge transfer of multiply charged ions in low energy collisions with atoms and molecules have been performed continuously by the identical apparatus installed with an octo-pole ion beam guide (OPIG) since 1980 till 2004. Recently, all of accumulated cross section data for a hundred collision systems has been entered into CMOL and CHART of the NIFS atomic and molecular numerical database together with some related cross section data. In this present paper, complicated ion-molecule reactions in hydrogen systems are revealed and the brief outlines of specific properties in low energy charge transfer collisions of multiply charged ions with atoms and molecules are introduced. (author)

  5. Anion-selective interaction and colorimeter by an optical metalloreceptor based on ruthenium(II) 2,2'-biimidazole: hydrogen bonding and proton transfer.

    Science.gov (United States)

    Cui, Ying; Mo, Hao-Jun; Chen, Jin-Can; Niu, Yan-Li; Zhong, Yong-Rui; Zheng, Kang-Cheng; Ye, Bao-Hui

    2007-08-06

    A new anion sensor [Ru(bpy)2(H2biim)](PF6)2 (1) (bpy = 2,2'-bipyridine and H2biim = 2,2'-biimidazole) has been developed, in which the Ru(II)-bpy moiety acts as a chromophore and the H2biim ligand as an anion receptor via hydrogen bonding. A systematic investigation shows that 1 is an eligible sensor for various anions. It donates protons for hydrogen bonding to Cl-, Br-, I-, NO3-, HSO4-, H2PO4-, and OAc- anions and further actualizes monoproton transfer to the OAc- anion, changing color from yellow to orange brown. The fluoride ion has a high affinity toward the N-H group of the H2biim ligand for proton transfer, rather than hydrogen bonding, because of the formation of the highly stable HF2- anion, resulting in stepwise deprotonation of the two N-H fragments. These processes are signaled by vivid color changes from yellow to orange brown and then to violet because of second-sphere donor-acceptor interactions between Ru(II)-H2biim and the anions. The significant color changes can be distinguished visually. The processes are not only determined by the basicity of anion but also by the strength of hydrogen bonding and the stability of the anion-receptor complexes. The design strategy and remarkable photophysical properties of sensor 1 help to extend the development of anion sensors.

  6. Role of the sulfonamide moiety of Ru(II) half-sandwich complexes in the asymmetric transfer hydrogenation of 3,4-dihydroisoquinolines

    Czech Academy of Sciences Publication Activity Database

    Matuška, O.; Zápal, Jakub; Hrdličková, R.; Mikoška, M.; Pecháček, J.; Vilhanová, B.; Václavík, Jiří; Kuzma, Marek; Kačer, P.

    2016-01-01

    Roč. 118, č. 1 (2016), s. 215-222 ISSN 1878-5190 R&D Projects: GA ČR GAP106/12/1276; GA ČR(CZ) GA15-08992S; GA MŠk(CZ) LO1509 Institutional support: RVO:61388971 Keywords : Ruthenium * Asymmetric transfer hydrogenation * Dihydroisoquinolines Subject RIV: EE - Microbiology, Virology Impact factor: 1.264, year: 2016

  7. 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

  8. Investigation of the Mechanism of Electron Capture and Electron Transfer Dissociation of Peptides with a Covalently Attached Free Radical Hydrogen Atom Scavenger.

    Science.gov (United States)

    Sohn, Chang Ho; Yin, Sheng; Peng, Ivory; Loo, Joseph A; Beauchamp, J L

    2015-11-15

    The mechanisms of electron capture and electron transfer dissociation (ECD and ETD) are investigated by covalently attaching a free-radical hydrogen atom scavenger to a peptide. The 2,2,6,6-tetramethylpiperidin-l-oxyl (TEMPO) radical was chosen as the scavenger due to its high hydrogen atom affinity (ca. 280 kJ/mol) and low electron affinity (ca. 0.45 ev), and was derivatized to the model peptide, FQX TEMPO EEQQQTEDELQDK. The X TEMPO residue represents a cysteinyl residue derivatized with an acetamido-TEMPO group. The acetamide group without TEMPO was also examined as a control. The gas phase proton affinity (882 kJ/mol) of TEMPO is similar to backbone amide carbonyls (889 kJ/mol), minimizing perturbation to internal solvation and sites of protonation of the derivatized peptides. Collision induced dissociation (CID) of the TEMPO tagged peptide dication generated stable odd-electron b and y type ions without indication of any TEMPO radical induced fragmentation initiated by hydrogen abstraction. The type and abundance of fragment ions observed in the CID spectra of the TEMPO and acetamide tagged peptides are very similar. However, ECD of the TEMPO labeled peptide dication yielded no backbone cleavage. We propose that a labile hydrogen atom in the charge reduced radical ions is scavenged by the TEMPO radical moiety, resulting in inhibition of N-C α backbone cleavage processes. Supplemental activation after electron attachment (ETcaD) and CID of the charge-reduced precursor ion generated by electron transfer of the TEMPO tagged peptide dication produced a series of b + H (b H ) and y + H (y H ) ions along with some c ions having suppressed intensities, consistent with stable O-H bond formation at the TEMPO group. In summary, the results indicate that ECD and ETD backbone cleavage processes are inhibited by scavenging of a labile hydrogen atom by the localized TEMPO radical moiety. This observation supports the conjecture that ECD and ETD processes involve long

  9. Heat transfer characteristics evaluation of heat exchangers of mock-up test facility with full-scale reaction tube for HTTR hydrogen production system (Contract research)

    International Nuclear Information System (INIS)

    Shimizu, Akira; Ohashi, Hirofumi; Kato, Michio; Hayashi, Koji; Aita, Hideki; Nishihara, Tetsuo; Inaba, Yoshitomo; Takada, Shoji; Morisaki, Norihiro; Sakaki, Akihiro; Maeda, Yukimasa; Sato, Hiroyuki; Inagaki, Yoshiyuki; Hanawa, Hiromi; Fujisaki, Katsuo; Yonekawa, Hideo

    2005-06-01

    Connection of hydrogen production system by steam reforming of methane to the High Temperature Engineering Test Reactor (HTTR) of the Japan Atomic Energy Research Institute (JAERI) has been surveyed until now. Mock-up test facility of this steam reforming system with full-scale reaction tube was constructed in FY 2001 and hydrogen of 120 Nm 3 /h was successfully produced in overall performance test. Totally 7 times operational tests were performed from March 2002 to December 2004. A lot of operational test data on heat exchanges were obtained in these tests. In this report specifications and structures of steam reformer, steam superheater, steam generator, condenser, helium gas cooler, feed gas heater and feed gas superheater were described. Heat transfer correlation equations for inside and outside tube were chosen from references. Spreadsheet programs were newly made to evaluate heat transfer characteristics from measured test data such as inlet and outlet temperature pressure and flow-rate. Overall heat-transfer coefficients obtained from the experimental data were compared and evaluated with the calculated values with heat transfer correlation equation. As a result, actual measurement values of all heat exchangers gave close agreement with the calculated values with correlation equations. Thermal efficiencies of the heat exchangers were adequate as they were well accorded with design value. (author)

  10. FROM SLOW FOOD TO SLOW TOURISM

    Directory of Open Access Journals (Sweden)

    Bac Dorin Paul

    2014-12-01

    Full Text Available One of the effects of globalization is the faster pace of our lives. This rhythm can be noticed in all aspects of life: travel, work, shopping, etc. and it has serious negative effects. It has become common knowledge that stress and speed generate serious medical issues. Food and eating habits in the modern world have taken their toll on our health. However, some people took a stand and argued for a new kind of lifestyle. It all started in the field of gastronomy, where a new movement emerged – Slow Food, based on the ideas and philosophy of Carlo Petrini. Slow Food represents an important adversary to the concept of fast food, and is promoting local products, enjoyable meals and healthy food. The philosophy of the Slow Food movement developed in several directions: Cittaslow, slow travel and tourism, slow religion and slow money etc. The present paper will account the evolution of the concept and its development during the most recent years. We will present how the philosophy of slow food was applied in all the other fields it reached and some critical points of view. Also we will focus on the presence of the slow movement in Romania, although it is in a very early stage of development. The main objectives of the present paper are: to present the chronological and ideological evolution of the slow movement; to establish a clear separation of slow travel and slow tourism, as many mistake on for the other; to review the presence of the slow movement in Romania. Regarding the research methodology, information was gathered from relevant academic papers and books and also from interviews and discussions with local entrepreneurs. The research is mostly theoretical and empirical, as slow food and slow tourism are emerging research themes in academic circles.

  11. TRANSFER

    African Journals Online (AJOL)

    This paper reports on further studies on long range energy transfer between curcumine as donor and another thiazine dye, thionine, which is closely related to methylene blue as energy harvester (Figure 1). Since thionine is known to have a higher quantum yield of singlet oxygen sensitization than methylene blue [8], it is ...

  12. Movement - uncontrolled or slow

    Science.gov (United States)

    Dystonia; Involuntary slow and twisting movements; Choreoathetosis; Leg and arm movements - uncontrollable; Arm and leg movements - uncontrollable; Slow involuntary movements of large muscle groups; Athetoid movements

  13. The role of the achiral template in enantioselective transformations. Radical conjugate additions to alpha-methacrylates followed by hydrogen atom transfer.

    Science.gov (United States)

    Sibi, Mukund P; Sausker, Justin B

    2002-02-13

    We have evaluated various achiral templates (1a-g, 10, and 16) in conjunction with chiral Lewis acids in the conjugate addition of nucleophilic radicals to alpha-methacrylates followed by enantioselective H-atom transfer. Of these, a novel naphthosultam template (10) gave high enantioselectivity in the H-atom-transfer reactions with ee's up to 90%. A chiral Lewis acid derived from MgBr(2) and bisoxazoline (2) gave the highest selectivity in the enantioselective hydrogen-atom-transfer reactions. Non-C(2) symmetric oxazolines (20-25) have also been examined as ligands, and of these, compound 25 gave optimal results (87% yield and 80% ee). Insights into rotamer control in alpha-substituted acrylates and the critical role of the tetrahedral sulfone moiety in realizing high selectivity are discussed.

  14. Vectorial electron transfer for improved hydrogen evolution by mercaptopropionic-acid-regulated CdSe quantum-dots-TiO2 -Ni(OH)2 assembly.

    Science.gov (United States)

    Yu, Shan; Li, Zhi-Jun; Fan, Xiang-Bing; Li, Jia-Xin; Zhan, Fei; Li, Xu-Bing; Tao, Ye; Tung, Chen-Ho; Wu, Li-Zhu

    2015-02-01

    A visible-light-induced hydrogen evolution system based on a CdSe quantum dots (QDs)-TiO2 -Ni(OH)2 ternary assembly has been constructed under an ambient environment, and a bifunctional molecular linker, mercaptopropionic acid, is used to facilitate the interaction between CdSe QDs and TiO2 . This hydrogen evolution system works effectively in a basic aqueous solution (pH 11.0) to achieve a hydrogen evolution rate of 10.1 mmol g(-1)  h(-1) for the assembly and a turnover frequency of 5140 h(-1) with respect to CdSe QDs (10 h); the latter is comparable with the highest value reported for QD systems in an acidic environment. X-ray photoelectron spectroscopy, X-ray absorption spectroscopy, and control experiments demonstrate that Ni(OH)2 is an efficient hydrogen evolution catalyst. In addition, inductively coupled plasma optical emission spectroscopy and the emission decay of the assembly combined with the hydrogen evolution experiments show that TiO2 functions mainly as the electron mediator; the vectorial electron transfer from CdSe QDs to TiO2 and then from TiO2 to Ni(OH)2 enhances the efficiency for hydrogen evolution. The assembly comprises light antenna CdSe QDs, electron mediator TiO2 , and catalytic Ni(OH)2 , which mimics the strategy of photosynthesis exploited in nature and takes us a step further towards artificial photosynthesis. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Nanotube Adsorption for the Capture and Re-liquefaction of Hydrogen Biol-Off During Tanker Transfer Operations, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — This proposal discloses an innovative, economically feasible technique to capture and re-liquefy the hydrogen boil-off by using carbon nanotube adsorption prior to...

  16. Cascading electron and hole transfer dynamics in a CdS/CdTe core-shell sensitized with bromo-pyrogallol red (Br-PGR): slow charge recombination in type II regime.

    Science.gov (United States)

    Maity, Partha; Debnath, Tushar; Chopra, Uday; Ghosh, Hirendra Nath

    2015-02-14

    Ultrafast cascading hole and electron transfer dynamics have been demonstrated in a CdS/CdTe type II core-shell sensitized with Br-PGR using transient absorption spectroscopy and the charge recombination dynamics have been compared with those of CdS/Br-PGR composite materials. Steady state optical absorption studies suggest that Br-PGR forms strong charge transfer (CT) complexes with both the CdS QD and CdS/CdTe core-shell. Hole transfer from the photo-excited QD and QD core-shell to Br-PGR was confirmed by both steady state and time-resolved emission spectroscopy. Charge separation was also confirmed by detecting electrons in the conduction band of the QD and the cation radical of Br-PGR as measured from femtosecond transient absorption spectroscopy. Charge separation in the CdS/Br-PGR composite materials was found to take place in three different pathways, by transferring the photo-excited hole of CdS to Br-PGR, electron injection from the photo-excited Br-PGR to the CdS QD, and direct electron transfer from the HOMO of Br-PGR to the conduction band of the CdS QD. However, in the CdS/CdTe/Br-PGR system hole transfer from the photo-excited CdS to Br-PGR and electron injection from the photo-excited Br-PGR to CdS take place after cascading through the CdTe shell QD. Charge separation also takes place via direct electron transfer from the Br-PGR HOMO to the conduction band of CdS/CdTe. Charge recombination (CR) dynamics between the electron in the conduction band of the CdS QD and the Br-PGR cation radical were determined by monitoring the bleach recovery kinetics. The CR dynamics were found to be much slower in the CdS/CdTe/Br-PGR system than in the CdS/Br-PGR system. The formation of the strong CT complex and the separation of charges cascading through the CdTe shell help to slow down charge recombination in the type II regime.

  17. Stereo-specificity for pro-(R) hydrogen of NAD(P)H during enzyme-catalyzed hydride transfer to CL-20

    International Nuclear Information System (INIS)

    Bhushan, Bharat; Halasz, Annamaria; Hawari, Jalal

    2005-01-01

    A dehydrogenase from Clostridium sp. EDB2 and a diaphorase from Clostridium kluyveri were reacted with CL-20 to gain insights into the enzyme-catalyzed hydride transfer to CL-20, and the enzyme's stereo-specificity for either pro-R or pro-S hydrogens of NAD(P)H. Both enzymes biotransformed CL-20 at rates of 18.5 and 24 nmol/h/mg protein, using NADH and NADPH as hydride-source, respectively, to produce a N-denitrohydrogenated product with a molecular weight of 393 Da. In enzyme kinetics studies using reduced deuterated pyridine nucleotides, we found a kinetic deuterium isotopic effect of 2-fold on CL-20 biotransformation rate using dehydrogenase enzyme against (R)NADD as a hydride-source compared to either (S)NADD or NADH. Whereas, in case of diaphorase, the kinetic deuterium isotopic effect of about 1.5-fold was observed on CL-20 biotransformation rate using (R)NADPD as hydride-source. In a comparative study with LC-MS, using deuterated and non-deuterated NAD(P)H, we found a positive mass-shift of 1 Da in the N-denitrohydrogenated product suggesting the involvement of a deuteride (D - ) transfer from NAD(P)D. The present study thus revealed that both dehydrogenase and diaphorase enzymes from the two Clostridium species catalyzed a hydride transfer to CL-20 and showed stereo-specificity for pro-R hydrogen of NAD(P)H

  18. Excited-state intramolecular hydrogen transfer (ESIHT) of 1,8-Dihydroxy-9,10-anthraquinone (DHAQ) characterized by ultrafast electronic and vibrational spectroscopy and computational modeling

    KAUST Repository

    Mohammed, Omar F.

    2014-05-01

    We combine ultrafast electronic and vibrational spectroscopy and computational modeling to investigate the photoinduced excited-state intramolecular hydrogen-transfer dynamics in 1,8-dihydroxy-9,10-anthraquinone (DHAQ) in tetrachloroethene, acetonitrile, dimethyl sulfoxide, and methanol. We analyze the electronic excited states of DHAQ with various possible hydrogen-bonding schemes and provide a general description of the electronic excited-state dynamics based on a systematic analysis of femtosecond UV/vis and UV/IR pump-probe spectroscopic data. Upon photoabsorption at 400 nm, the S 2 electronic excited state is initially populated, followed by a rapid equilibration within 150 fs through population transfer to the S 1 state where DHAQ exhibits ESIHT dynamics. In this equilibration process, the excited-state population is distributed between the 9,10-quinone (S2) and 1,10-quinone (S1) states while undergoing vibrational energy redistribution, vibrational cooling, and solvation dynamics on the 0.1-50 ps time scale. Transient UV/vis pump-probe data in methanol also suggest additional relaxation dynamics on the subnanosecond time scale, which we tentatively ascribe to hydrogen bond dynamics of DHAQ with the protic solvent, affecting the equilibrium population dynamics within the S2 and S1 electronic excited states. Ultimately, the two excited singlet states decay with a solvent-dependent time constant ranging from 139 to 210 ps. The concomitant electronic ground-state recovery is, however, only partial because a large fraction of the population relaxes to the first triplet state. From the similarity of the time scales involved, we conjecture that the solvent plays a crucial role in breaking the intramolecular hydrogen bond of DHAQ during the S2/S1 relaxation to either the ground or triplet state. © 2014 American Chemical Society.

  19. Kinetic evidence for the formation of discrete 1,4-dehydrobenzene intermediates. Trapping by inter- and intramolecular hydrogen atom transfer and observation of high-temperature CIDNP

    Energy Technology Data Exchange (ETDEWEB)

    Lockhart, Thomas P. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States); California Inst. of Technology (CalTech), Pasadena, CA (United States); Comita, Paul B. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States); California Inst. of Technology (CalTech), Pasadena, CA (United States); Bergman, Robert G. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States); California Inst. of Technology (CalTech), Pasadena, CA (United States)

    1981-07-01

    Upon heating, alkyl-substituted cis-1,2-diethynyl olefins undergo cyclization to yield reactive 1,4-dehydrobenzenes; the products isolated may be derived from either unimolecular or bimolecular reactions of the intermediate. (Z)-4,5-Diethynyl-4-octene (4) undergoes rearrangement to yield 2,3-di-n-propyl-1,4-dehydrobenzene (17). Solution pyrolysis of 4 in inert aromatic solvents produces three unimolecular products, (Z)-dodeca-4,8-diyn-6-ene (7), benzocyclooctene (9), and o-allyl-n-propylbenzene (10), in high yield. When 1,4-cyclohexadiene is added to the pyrolysis solution as a trapping agent, high yields of the reduced product o-di-n-propylbenzene (12) are obtained. The kinetics of solution pyrolysis of 4 in the presence and absence of trapping agent establish that 2,3-di-n-propyl-1,4-dehydrobenzene is a discrete intermediate on the pathway leading to products. When the reaction was run in the heated probe of an NMR spectrometer, CIDNP was observed in 10. This observation, along with kinetic and chemical trapping evidence, indicates the presence of two additional intermediates, formed from 17 by sequential intramolecular [1,5] hydrogen transfer, on the pathway to products. The observation of CIDNP, coupled with the reactivity exhibited by 17 and the other two intermediates, implicate a biradical description of these molecules. Biradical 17 has been estimated to have a lifetime of about 10-9 s at 200°C and to lie in a well of about 5 kcal/mol with respect to the lowest energy unimolecular pathway ([1,5] hydrogen transfer). Ring opening (expected to be the lowest energy process for 1,4-dehydrobenzenes in which intramolecular hydrogen transfer is unlikely) to the isomeric diethynyl olefin 7 appears to have an activation enthalpy of about 10 kcal/moL Upon thermal reaction in the gas phase (400°C) or in solution in inert solvents (Z)-hexa-2,3-diethyl-1,5-diyn-3-ene (5) rearranges in good yield to the isomeric diethynyl olefin (Z)-deca-3,7-diyn-5-ene (8

  20. High Zn/Al ratios enhance dehydrogenation vs hydrogen transfer reactions of Zn-ZSM-5 catalytic systems in methanol conversion to aromatics

    DEFF Research Database (Denmark)

    Pinilla-Herrero, Irene; Borfecchia, Elisa; Holzinger, Julian

    2018-01-01

    suggest that catalytic activity is associated with [Zn(H2O)n(OH)]+ species located in the exchange positions of the materials with little or no contribution of ZnO or metallic Zn. The effect of Zn/Al ratio on their catalytic performance in methanol conversion to aromatics has been investigated. In all...... cases, higher Zn content causes an increase in the yield of aromatics while keeping the production of alkanes low. For similar Zn contents, high densities of Al sites favour the hydrogen transfer reactions and alkane formation whereas in samples with low Al contents, and thus higher Zn/Al ratio...

  1. Heat and Mass Transfer during Hydrogen Generation in an Array of Fuel Bars of a BWR Using a Periodic Unit Cell

    Directory of Open Access Journals (Sweden)

    H. Romero-Paredes

    2012-01-01

    Full Text Available This paper presents, the numerical analysis of heat and mass transfer during hydrogen generation in an array of fuel cylinder bars, each coated with a cladding and a steam current flowing outside the cylinders. The analysis considers the fuel element without mitigation effects. The system consists of a representative periodic unit cell where the initial and boundary-value problems for heat and mass transfer were solved. In this unit cell, we considered that a fuel element is coated by a cladding with steam surrounding it as a coolant. The numerical simulations allow describing the evolution of the temperature and concentration profiles inside the nuclear reactor and could be used as a basis for hybrid upscaling simulations.

  2. Photochemically engineering the metal-semiconductor interface for room-temperature transfer hydrogenation of nitroarenes with formic acid.

    Science.gov (United States)

    Li, Xin-Hao; Cai, Yi-Yu; Gong, Ling-Hong; Fu, Wei; Wang, Kai-Xue; Bao, Hong-Liang; Wei, Xiao; Chen, Jie-Sheng

    2014-12-08

    A mild photochemical approach was applied to construct highly coupled metal-semiconductor dyads, which were found to efficiently facilitate the hydrogenation of nitrobenzene. Aniline was produced in excellent yield (>99 %, TOF: 1183) using formic acid as hydrogen source and water as solvent at room temperature. This general and green catalytic process is applicable to a wide range of nitroarenes without the involvement of high-pressure gases or sacrificial additives. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Emission of muonic hydrogen isotopes from solid hydrogen layers into vacuum

    International Nuclear Information System (INIS)

    Marshall, G.M.; Bailey, J.M.; Beer, G.A.

    1989-10-01

    An attempt was made to create in vacuum free muonic hydrogen atoms, muonic protium and muonic deuterium. The method was based on slowing a beam of μ - in a layer of solid hydrogen in vacuum frozen to a cold gold foil substrate. Muonic hydrogen formed near the surface is emitted from it into the vacuum with an energy spectrum determined by the formation and subsequent scattering processes. For a typical total cross section of 10 -19 cm 2 the interaction probability is 0.43 μm -1 . For emission at an energy of order 1 eV, the muonic atom travels about 10 mm in vacuum prior to decay. No corresponding signal was observed with a deuterium layer of 6 mg/cm 2 . The natural abundance of deuterons in hydrogen leads to transfer of the muon in a mean time of about 500 ns, and because of the reduced mass difference, the m u - d obtains a kinetic energy of 45 eV, from which the atom will scatter and slow until the energy of the Ramsauer-Townsend minimum is reached and the hydrogen film becomes nearly transparent to μ - d. The Ramsauer-Townsend effect is also expected to show up for tritium in protium, which means a source of μ - t in vacuum should be possible

  4. Photoinduced electron transfer through hydrogen bonds in a rod-like donor-acceptor molecule: A time-resolved EPR study

    International Nuclear Information System (INIS)

    Jakob, Manuela; Berg, Alexander; Stavitski, Eli; Chernick, Erin T.; Weiss, Emily A.; Wasielewski, Michael R.; Levanon, Haim

    2006-01-01

    Light-driven multi-step intramolecular electron transfer in a rod-like triad, in which two of the three redox components are linked by three hydrogen bonds, was studied by time-resolved electron paramagnetic resonance (TREPR) and optical spectroscopies. One part of the molecule consists of a p-methoxyaniline primary electron donor (MeOAn) covalently linked to a 4-aminonaphthalene-1, 8-dicarboximide (6ANI) chromophoric electron acceptor (MeOAn-6ANI). The unsubstituted dicarboximide of 6ANI serves as one half of a hydrogen bonding receptor pair. The other half of the receptor pair consists of a melamine linked to a naphthalene-1,8:4,5-bis(dicarboximide) (NI) secondary electron acceptor (MEL-NI). TREPR spectroscopy is used to probe the electronic interaction between the radicals within the photogenerated, spin-correlated radical ion pair MeOAn ·+ -6ANI/MEL-NI ·- . The results are compared to those obtained in earlier studies in which MeOAn-6ANI is covalently linked to NI through a 2,5-dimethylphenyl group (MeOAn-6ANI-Ph-NI). We show that the electronic coupling between the oxidized donor and reduced acceptor in the hydrogen-bonded radical ion pair MeOAn ·+ -6ANI/MEL-NI ·- is very similar to that of MeOAn ·+ -6ANI-Ph-NI ·-

  5. Energy of Intramolecular Hydrogen Bonding in ortho-Hydroxybenzaldehydes, Phenones and Quinones. Transfer of Aromaticity from ipso-Benzene Ring to the Enol System(s

    Directory of Open Access Journals (Sweden)

    Danuta Rusinska-Roszak

    2017-03-01

    Full Text Available Intramolecular hydrogen bonding (HB is one of the most studied noncovalent interactions of molecules. Many physical, spectral, and topological properties of compounds are under the influence of HB, and there are many parameters used to notice and to describe these changes. Hitherto, no general method of measurement of the energy of intramolecular hydrogen bond (EHB has been put into effect. We propose the molecular tailoring approach (MTA for EHB calculation, modified to apply it to Ar-O-H∙∙∙O=C systems. The method, based on quantum calculations, was checked earlier for hydroxycarbonyl-saturated compounds, and for structures with resonance-assisted hydrogen bonding (RAHB. For phenolic compounds, the accuracy, repeatability, and applicability of the method is now confirmed for nearly 140 structures. For each structure its aromaticity HOMA indices were calculated for the central (ipso ring and for the quasiaromatic rings given by intramolecular HB. The comparison of calculated HB energies and values of estimated aromaticity indices allowed us to observe, in some substituted phenols and quinones, the phenomenon of transfer of aromaticity from the ipso-ring to the H-bonded ring via the effect of electron delocalization.

  6. Role of hydrogen-bonding and photoinduced electron transfer (PET) on the interaction of resorcinol based acridinedione dyes with Bovine Serum Albumin (BSA) in water

    International Nuclear Information System (INIS)

    Kumaran, Rajendran; Vanjinathan, Mahalingam; Ramamurthy, Perumal

    2015-01-01

    Resorcinol based acridinedione (ADDR) dyes are a class of laser dyes and have structural similarity with purine derivatives, nicotinamide adenine dinucleotide (NADH) analogs. These dyes are classified into photoinduced electron transfer (PET) and non-photoinduced electron transfer dyes, and the photophysical properties of family of these dyes exhibiting PET behavior are entirely different from that of non-PET dyes. The PET process in ADDR dyes is governed by the solvent polarity such that an ADDR dye exhibits PET process through space in an aprotic solvent like acetonitrile and does not exhibit the same in protic solvents like water and methanol. A comparison on the fluorescence emission, lifetime and nature of interaction of various ADDR dyes with a large globular protein like Bovine Serum Albumin (BSA) was carried out in aqueous solution. The interaction of PET based ADDR dyes with BSA in water is found to be largely hydrophobic, but hydrogen-bonding interaction of BSA with dye molecule influences the fluorescence emission of the dye and shifts the emission towards red region. Fluorescence spectral studies reveal that the excited state properties of PET based ADDR dyes are largely influenced by the addition of BSA. The microenvironment around the dye results in significant change in the fluorescence lifetime and emission. Fluorescence enhancement with a red shift in the emission results after the addition of BSA to ADDR dyes containing free amino hydrogen in the 10th position of basic acridinedione dye. The amino hydrogen (N–H) in the 10th position of ADDR dye is replaced by methyl group (N–CH 3 ), a significant decrease in the fluorescence intensity with no apparent shift in the emission maximum was observed after the addition of BSA. The nature of interaction between ADDR dyes with BSA is hydrogen-bonding and the dye remains unbound even at the highest concentration of BSA. Circular Dichroism (CD) studies show that the addition of dye to BSA results in a

  7. Evidence for excited-state intramolecular proton transfer in 4-chlorosalicylic acid from combined experimental and computational studies: Quantum chemical treatment of the intramolecular hydrogen bonding interaction

    Energy Technology Data Exchange (ETDEWEB)

    Paul, Bijan Kumar [Department of Chemistry, University of Calcutta, 92 Acharya Prafulla Chandra Road, Calcutta 700009 (India); Guchhait, Nikhil, E-mail: nikhil.guchhait@rediffmail.com [Department of Chemistry, University of Calcutta, 92 Acharya Prafulla Chandra Road, Calcutta 700009 (India)

    2012-07-25

    Highlights: Black-Right-Pointing-Pointer Experimental and computational studies on the photophysics of 4-chlorosalicylic acid. Black-Right-Pointing-Pointer Spectroscopically established ESIPT reaction substantiated by theoretical calculation. Black-Right-Pointing-Pointer Quantum chemical treatment of IMHB unveils strength, nature and directional nature. Black-Right-Pointing-Pointer Superiority of quantum chemical treatment of H-bond over geometric criteria. Black-Right-Pointing-Pointer Role of H-bond as a modulator of aromaticity. -- Abstract: The photophysical study of a pharmaceutically important chlorine substituted derivative of salicylic acid viz., 4-chlorosalicylic acid (4ClSA) has been carried out by steady-state absorption, emission and time-resolved emission spectroscopy. A large Stokes shifted emission band with negligible solvent polarity dependence marks the spectroscopic signature of excited-state intramolecular proton transfer (ESIPT) reaction in 4ClSA. Theoretical calculation by ab initio and Density Functional Theory methods yields results consistent with experimental findings. Theoretical potential energy surfaces predict the occurrence of proton transfer in S{sub 1}-state. Geometrical and energetic criteria, Atoms-In-Molecule topological parameters, Natural Bond Orbital population analysis have been exploited to evaluate the intramolecular hydrogen bond (IMHB) interaction and to explore its directional nature. The inter-correlation between aromaticity and resonance assisted H-bond is also discussed in this context. Our results unveil that the quantum chemical treatment is a more accurate tool to assess hydrogen bonding interaction in comparison to geometrical criteria.

  8. Asymmetric Transfer Hydrogenation of 1-Aryl-3,4-Dihydroisoquinolines Using a Cp*Ir(TsDPEN) Complex

    Czech Academy of Sciences Publication Activity Database

    Václavíková Vilhanová, B.; Budinská, Alena; Václavík, Jiří; Matoušek, V.; Kuzma, M.; Červený, L.

    2017-01-01

    Roč. 2017, č. 34 (2017), s. 5131-5134 ISSN 1434-193X Institutional support: RVO:61388963 Keywords : 1-aryl-3,4-dihydroisoquinolines * asymmetric synthesis * hydrogenation * iridium * phosphoric acid Subject RIV: CC - Organic Chemistry OBOR OECD: Organic chemistry Impact factor: 2.834, year: 2016

  9. Differential cross sections for transfer into the 2S state of hydrogen: H+ + H2, H+ + D2

    International Nuclear Information System (INIS)

    Williams, D.G.; Lee, A.R.; Butcher, E.C.

    1986-01-01

    Differential cross sections for electron capture into the 2S state of hydrogen are presented for the reactions H + + H 2 and H + + D 2 . The results are for laboratory collision energies between 3.3 and 24 keV and scattering angles between 30 and 90'. The measurements expand on the results previously presented. (author)

  10. Field-controlled electron transfer and reaction kinetics of the biological catalytic system of microperoxidase-11 and hydrogen peroxide

    Directory of Open Access Journals (Sweden)

    Yongki Choi

    2011-12-01

    Full Text Available Controlled reaction kinetics of the bio-catalytic system of microperoxidase-11 and hydrogen peroxide has been achieved using an electrostatic technique. The technique allowed independent control of 1 the thermodynamics of the system using electrochemical setup and 2 the quantum mechanical tunneling at the interface between microperoxidase-11 and the working electrode by applying a gating voltage to the electrode. The cathodic currents of electrodes immobilized with microperoxidase-11 showed a dependence on the gating voltage in the presence of hydrogen peroxide, indicating a controllable reduction reaction. The measured kinetic parameters of the bio-catalytic reduction showed nonlinear dependences on the gating voltage as the result of modified interfacial electron tunnel due to the field induced at the microperoxidase-11-electrode interface. Our results indicate that the kinetics of the reduction of hydrogen peroxide can be controlled by a gating voltage and illustrate the operation of a field-effect bio-catalytic transistor, whose current-generating mechanism is the conversion of hydrogen peroxide to water with the current being controlled by the gating voltage.

  11. Bane of Hydrogen-Bond Formation on the Photoinduced Charge-Transfer Process in Donor–Acceptor Systems

    KAUST Repository

    Alsam, Amani Abdu; Adhikari, Aniruddha; Parida, Manas R.; Aly, Shawkat Mohammede; Bakr, Osman; Mohammed, Omar F.

    2017-01-01

    Controlling the ultrafast dynamical process of photoinduced charge transfer at donor acceptor interfaces remains a major challenge for physical chemistry and solar cell communities. The process is complicated by the involvement of other complex

  12. Chirality Transfer and Modulation in LB Films Derived From the Diacetylene/Melamine Hydrogen-Bonded Complex.

    Science.gov (United States)

    Zhu, Yu; Xu, Yangyang; Zou, Gang; Zhang, Qijin

    2015-08-01

    Introduction of hydrogen-bonding interaction into π-conjugated systems is a promising strategy, since the highly selective and directional hydrogen-bonding can increase the binding strength, provide enhanced stability to the assemblies, and position the π-conjugated molecules in a desired arrangement. The helical packing of the rigid melamine cores seems to play a dominating role in the subsequent formation of the peripheral helical PDA backbone. The polymerized Langmuir-Blodgett (LB) films exhibited reversible colorimetric and chiroptical changes during repeated heating-cooling cycles, which should be ascribed to the strong hydrogen-bonding interaction between the carboxylic acid and the melamine core. Further, the closely helical packing of the melamine cores could be destroyed upon exposure to HCl or NH(3) gas, whereas the peripheral helical polyaniline and polydiacetylene (PDA) backbone exhibited excellent stability. Although similar absorption changes could be observed for the films upon exposure to HCl or NH(3) gas, their distinct circular dichroism (CD) responses enabled us to distinguish the above two stimuli. © 2015 Wiley Periodicals, Inc.

  13. Spectroscopic investigation and computational analysis of charge transfer hydrogen bonded reaction between 3-aminoquinoline with chloranilic acid in 1:1 stoichiometric ratio

    Science.gov (United States)

    Al-Ahmary, Khairia M.; Alenezi, Maha S.; Habeeb, Moustafa M.

    2015-10-01

    Charge transfer hydrogen bonded reaction between the electron donor (proton acceptor) 3-aminoquinoline with the electron acceptor (proton donor) chloranilic acid (H2CA) has been investigated experimentally and theoretically. The experimental work included the application of UV-vis spectroscopy to identify the charge transfer band of the formed complex, its molecular composition as well as estimating its formation constants in different solvent included acetonitrile (AN), methanol (MeOH), ethanol (EtOH) and chloroform (CHL). It has been recorded the presence of new absorption bands in the range 500-550 nm attributing to the formed complex. The molecular composition of the HBCT complex was found to be 1:1 (donor:acceptor) in all studied solvents based on continuous variation and photometric titration methods. In addition, the calculated formation constants from Benesi-Hildebrand equation recorded high values, especially in chloroform referring to the formation of stable HBCT complex. Infrared spectroscopy has been applied for the solid complex where formation of charge and proton transfer was proven in it. Moreover, 1H and 13C NMR spectroscopies were used to characterize the formed complex where charge and proton transfers were reconfirmed. Computational analysis included the use of GAMESS computations as a package of ChemBio3D Ultr12 program were applied for energy minimization and estimation of the stabilization energy for the produced complex. Also, geometrical parameters (bond lengths and bond angles) of the formed HBCT complex were computed and analyzed. Furthermore, Mullikan atomic charges, molecular potential energy surface, HOMO and LUMO molecular orbitals as well as assignment of the electronic spectra of the formed complex were presented. A full agreement between experimental and computational analysis has been found especially in the existence of the charge and proton transfers and the assignment of HOMO and LUMO molecular orbitals in the formed complex as

  14. Frequency response of slow beam extraction process

    International Nuclear Information System (INIS)

    Toyama, Takeshi; Sato, Hikaru; Marutsuka, Katsumi; Shirakata, Masashi.

    1994-01-01

    A servo control system has been incorporated into the practical slow extraction system in order to stabilize the spill structure less than a few kHz. Frequency responses of the components of the servo-spill control system and the open-loop frequency response were measured. The beam transfer function of the slow extraction process was derived from the measured data and approximated using a simple function. This is utilized to improve the performance of the servo-loop. (author)

  15. Hydrogen peroxide safety issues

    International Nuclear Information System (INIS)

    Conner, W.V.

    1993-01-01

    A literature survey was conducted to review the safety issues involved in handling hydrogen peroxide solutions. Most of the information found in the literature is not directly applicable to conditions at the Rocky Flats Plant, but one report describes experimental work conducted previously at Rocky Flats to determine decomposition reaction-rate constants for hydrogen peroxide solutions. Data from this report were used to calculate decomposition half-life times for hydrogen peroxide in solutions containing several decomposition catalysts. The information developed from this survey indicates that hydrogen peroxide will undergo both homogeneous and heterogeneous decomposition. The rate of decomposition is affected by temperature and the presence of catalytic agents. Decomposition of hydrogen peroxide is catalyzed by alkalies, strong acids, platinum group and transition metals, and dissolved salts of transition metals. Depending upon conditions, the consequence of a hydrogen peroxide decomposition can range from slow evolution of oxygen gas to a vapor, phase detonation of hydrogen peroxide vapors

  16. Connecting slow earthquakes to huge earthquakes.

    Science.gov (United States)

    Obara, Kazushige; Kato, Aitaro

    2016-07-15

    Slow earthquakes are characterized by a wide spectrum of fault slip behaviors and seismic radiation patterns that differ from those of traditional earthquakes. However, slow earthquakes and huge megathrust earthquakes can have common slip mechanisms and are located in neighboring regions of the seismogenic zone. The frequent occurrence of slow earthquakes may help to reveal the physics underlying megathrust events as useful analogs. Slow earthquakes may function as stress meters because of their high sensitivity to stress changes in the seismogenic zone. Episodic stress transfer to megathrust source faults leads to an increased probability of triggering huge earthquakes if the adjacent locked region is critically loaded. Careful and precise monitoring of slow earthquakes may provide new information on the likelihood of impending huge earthquakes. Copyright © 2016, American Association for the Advancement of Science.

  17. Diffusion of Hydrogen in the beta-Phase of Pd-H Studied by Small Energy Transfer Neutron Scattering

    Energy Technology Data Exchange (ETDEWEB)

    Nelin, G; Skoeld, K

    1974-07-01

    The diffusion of hydrogen in beta-PdH has been studied by quasielastic neutron scattering. It is shown that the diffusion occurs through jumps between adjacent octahedral interstitial sites. The observed integrated quasielastic intensities cannot be described by a simple Debye-Waller factor. The phase transition from the beta-phase to the alpha-phase has also been studied. No dramatic changes in the scattering patterns were observed. It is concluded that the diffusion mechanism is remarkably similar between the low concentration alpha-phase and the high concentration beta-phase

  18. In-situ biogas upgrading in thermophilic granular UASB reactor: key factors affecting the hydrogen mass transfer rate

    DEFF Research Database (Denmark)

    Bassani, Ilaria; Kougias, Panagiotis; Angelidaki, Irini

    2016-01-01

    in the biogas into CH4, via hydrogenotrophic methanogenesis. The setup consisted of a granular reactor connected to a separate chamber, where H2 was injected. Different packing materials (rashig rings and alumina ceramic sponge) were tested to increase gas-liquid mass transfer. This aspect was optimized...

  19. Charge transfer incollisions of Li3+ and Be4+ ions with atomic hydrogen at low impact energy

    International Nuclear Information System (INIS)

    Ohyama, T.; Itikawa, Y.

    1981-08-01

    Total charge transfer cross sections are calculated for the collisions of Li 3+ and Be 4+ ions with H(1s) atoms in the low energy region (E 3+ -H system, a reasonable agreement is found between the present calculation and the recent experiment. (author)

  20. Fast approximate radiative transfer method for visualizing the fine structure of prominences in the hydrogen H alpha line

    Czech Academy of Sciences Publication Activity Database

    Heinzel, Petr; Gunár, S.; Anzer, U.

    2015-01-01

    Roč. 579, July (2015), A16/1-A16/6 ISSN 0004-6361 R&D Projects: GA ČR GAP209/12/0906 EU Projects: European Commission(XE) 328138 Institutional support: RVO:67985815 Keywords : radiative transfer * Sun * filaments Subject RIV: BN - Astronomy, Celestial Mechanics, Astrophysics Impact factor: 4.378, year: 2014

  1. Too slow, for Milton

    OpenAIRE

    Armstrong, N.

    2011-01-01

    Too slow, for Milton was written in 2011, as part of a memorial project for Milton Babbitt. The piece borrows harmonies from Babbitt's Composition for 12 Instruments (harmonies which Babbitt had in turn borrowed from Schoenberg's Ode to Napoleon), but unfolds them as part of a musical texture characterised by repetition, resonance, and a slow rate of change. As Babbitt once told me that my music was 'too slow', this seemed an appropriately obstinate form of homage.

  2. Effect of polarized radiative transfer on the Hanle magnetic field determination in prominences: Analysis of hydrogen H alpha line observations at Pic-du-Midi

    Science.gov (United States)

    Bommier, V.; Deglinnocenti, E. L.; Leroy, J. L.; Sahal-Brechot, S.

    1985-01-01

    The linear polarization of the Hydrogen H alpha line of prominences has been computed, taking into account the effect of a magnetic field (Hanle effect), of the radiative transfer in the prominence, and of the depolarization due to collisions with the surrounding electrons and protons. The corresponding formalisms are developed in a forthcoming series of papers. In this paper, the main features of the computation method are summarized. The results of computation have been used for interpretation in terms of magnetic field vector measurements from H alpha polarimetric observations in prominences performed at Pic-du-Midi coronagraph-polarimeter. Simultaneous observations in one optically thin line (He I D(3)) and one optically thick line (H alpha) give an opportunity for solving the ambiguity on the field vector determination.

  3. The Third Dimension of a More O'Ferrall-Jencks Diagram for Hydrogen Atom Transfer in the Isoelectronic Hydrogen Exchange Reactions of (PhX)(2)H(•) with X = O, NH, and CH(2).

    Science.gov (United States)

    Cembran, Alessandro; Provorse, Makenzie R; Wang, Changwei; Wu, Wei; Gao, Jiali

    2012-11-13

    A critical element in theoretical characterization of the mechanism of proton-coupled electron transfer (PCET) reactions, including hydrogen atom transfer (HAT), is the formulation of the electron and proton localized diabatic states, based on which a More O'Ferrall-Jencks diagram can be represented to determine the step-wise and concerted nature of the reaction. Although the More O'Ferrall-Jencks diabatic states have often been used empirically to develop theoretical models for PCET reactions, the potential energy surfaces for these states have never been determined directly based on first principles calculations using electronic structure theory. The difficulty is due to a lack of practical method to constrain electron and proton localized diabatic states in wave function or density functional theory calculations. Employing a multistate density functional theory (MSDFT), in which the electron and proton localized diabatic configurations are constructed through block-localization of Kohn-Sham orbitals, we show that distinction between concerted proton-electron transfer (CPET) and HAT, which are not distinguishable experimentally from phenomenological kinetic data, can be made by examining the third dimension of a More O'Ferrall-Jencks diagram that includes both the ground and excited state potential surfaces. In addition, we formulate a pair of effective two-state valence bond models to represent the CPET and HAT mechanisms. We found that the lower energy of the CPET and HAT effective diabatic states at the intersection point can be used as an energetic criterion to distinguish the two mechanisms. In the isoelectronic series of hydrogen exchange reaction in (PhX)(2)H(•), where X = O, NH, and CH(2), there is a continuous transition from a CPET mechanism for the phenoxy radical-phenol pair to a HAT process for benzyl radical and toluene, while the reaction between PhNH(2) and PhNH(•) has a mechanism intermediate of CPET and HAT. The electronically nonadiabatic

  4. Proton transfer and hydrogen bonding in the organic solid state: a combined XRD/XPS/ssNMR study of 17 organic acid-base complexes.

    Science.gov (United States)

    Stevens, Joanna S; Byard, Stephen J; Seaton, Colin C; Sadiq, Ghazala; Davey, Roger J; Schroeder, Sven L M

    2014-01-21

    The properties of nitrogen centres acting either as hydrogen-bond or Brønsted acceptors in solid molecular acid-base complexes have been probed by N 1s X-ray photoelectron spectroscopy (XPS) as well as (15)N solid-state nuclear magnetic resonance (ssNMR) spectroscopy and are interpreted with reference to local crystallographic structure information provided by X-ray diffraction (XRD). We have previously shown that the strong chemical shift of the N 1s binding energy associated with the protonation of nitrogen centres unequivocally distinguishes protonated (salt) from hydrogen-bonded (co-crystal) nitrogen species. This result is further supported by significant ssNMR shifts to low frequency, which occur with proton transfer from the acid to the base component. Generally, only minor chemical shifts occur upon co-crystal formation, unless a strong hydrogen bond is formed. CASTEP density functional theory (DFT) calculations of (15)N ssNMR isotropic chemical shifts correlate well with the experimental data, confirming that computational predictions of H-bond strengths and associated ssNMR chemical shifts allow the identification of salt and co-crystal structures (NMR crystallography). The excellent agreement between the conclusions drawn by XPS and the combined CASTEP/ssNMR investigations opens up a reliable avenue for local structure characterization in molecular systems even in the absence of crystal structure information, for example for non-crystalline or amorphous matter. The range of 17 different systems investigated in this study demonstrates the generic nature of this approach, which will be applicable to many other molecular materials in organic, physical, and materials chemistry.

  5. Efficient Synthesis of Differentiated syn-1,2-Diol Derivatives by Asymmetric Transfer Hydrogenation-Dynamic Kinetic Resolution of α-Alkoxy-Substituted β-Ketoesters.

    Science.gov (United States)

    Monnereau, Laure; Cartigny, Damien; Scalone, Michelangelo; Ayad, Tahar; Ratovelomanana-Vidal, Virginie

    2015-08-10

    Asymmetric transfer hydrogenation was applied to a wide range of racemic aryl α-alkoxy-β-ketoesters in the presence of well-defined, commercially available, chiral catalyst Ru(II) -(N-p-toluenesulfonyl-1,2-diphenylethylenediamine) and a 5:2 mixture of formic acid and triethylamine as the hydrogen source. Under these conditions, dynamic kinetic resolution was efficiently promoted to provide the corresponding syn α-alkoxy-β-hydroxyesters derived from substituted aromatic and heteroaromatic aldehydes with a high level of diastereoselectivity (diastereomeric ratio (d.r.)>99:1) and an almost perfect enantioselectivity (enantiomeric excess (ee)>99 %). Additionally, after extensive screening of the reaction conditions, the use of Ru(II) - and Rh(III) -tethered precatalysts extended this process to more-challenging substrates that bore alkenyl-, alkynyl-, and alkyl substituents to provide the corresponding syn α-alkoxy-β-hydroxyesters with excellent enantiocontrol (up to 99 % ee) and good to perfect diastereocontrol (d.r.>99:1). Lastly, the synthetic utility of the present protocol was demonstrated by application to the asymmetric synthesis of chiral ester ethyl (2S)-2-ethoxy-3-(4-hydroxyphenyl)-propanoate, which is an important pharmacophore in a number of peroxisome proliferator-activated receptor α/γ dual agonist advanced drug candidates used for the treatment of type-II diabetes. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Finding furfural hydrogenation catalysts via predictive modelling

    NARCIS (Netherlands)

    Strassberger, Z.; Mooijman, M.; Ruijter, E.; Alberts, A.H.; Maldonado, A.G.; Orru, R.V.A.; Rothenberg, G.

    2010-01-01

    We combine multicomponent reactions, catalytic performance studies and predictive modelling to find transfer hydrogenation catalysts. An initial set of 18 ruthenium-carbene complexes were synthesized and screened in the transfer hydrogenation of furfural to furfurol with isopropyl alcohol complexes

  7. Anomalous H/D isotope effect in hydrogen bonded systems: H-bonded cyclic structures and transfers of protons

    International Nuclear Information System (INIS)

    Marechal, Y.

    1993-01-01

    The systematic H/D substitution is a precious tool to obtain information on the dynamics of H-bonds. It is particularly useful in IR spectroscopy where H-bonds are at the origin of particularly intense and specific bands and where the particularly great value for the m D /m H ratio ensures strongly marked effects. In most H-bonded systems the effects of these substitutions are normal, in the sense that they are at the origin of bands having intensities, centers (of intensity) and widths smaller in D-bonds by a factor close to √2 as compared to H-bonds. In some systems as carboxylic acid dimers, however, anomalous ratios of intensities are found upon such a substitution. Their origin is still obscure. Experimental results suggest that such anomalous ratios have much to do with the cyclic structure of these systems. It leads to stressing an important property of H-bonded cyclic structures which is that they seem necessary for having transfers of protons between molecules through H-bonds in a neutral aqueous medium (p H =7) at room temperature. The mechanism of such transfers of protons is still poorly known, but these transfers are now suspected to play a fundamental role in such widespread reactions as hydrolysis, peptide synthesis, etc... which may make them soon appear as being a crucial basic mechanism for reactivity of aqueous systems, particularly biological systems

  8. Structural and Kinetic Evidence for an Extended Hydrogen-Bonding Network in Catalysis of Methyl Group Transfer

    International Nuclear Information System (INIS)

    Doukov, T.; Hemmi, H.; Drennan, C.; Ragsdale, S.

    2007-01-01

    The methyltetrahydrofolate (CH 3 -H 4 folate) corrinoid-ironsulfur protein (CFeSP) methyltransferase (MeTr) catalyzes transfer of the methyl group of CH3-H4folate to cob(I)amide. This key step in anaerobic CO and CO 2 fixation is similar to the first half-reaction in the mechanisms of other cobalamin-dependent methyltransferases. Methyl transfer requires electrophilic activation of the methyl group of CH 3 -H 4 folate, which includes proton transfer to the N5 group of the pterin ring and poises the methyl group for reaction with the Co(I) nucleophile. The structure of the binary CH 3 -H 4 folate/MeTr complex (revealed here) lacks any obvious proton donor near the N5 group. Instead, an Asn residue and water molecules are found within H-bonding distance of N5. Structural and kinetic experiments described here are consistent with the involvement of an extended H-bonding network in proton transfer to N5 of the folate that includes an Asn (Asn-199 in MeTr), a conserved Asp (Asp-160), and a water molecule. This situation is reminiscent of purine nucleoside phosphorylase, which involves protonation of the purine N7 in the transition state and is accomplished by an extended H-bond network that includes water molecules, a Glu residue, and an Asn residue (Kicska, G. A., Tyler, P. C., Evans, G. B., Furneaux, R. H., Shi, W., Fedorov, A., Lewandowicz, A., Cahill, S. M., Almo, S. C., and Schramm, V. L. (2002) Biochemistry 41, 14489-14498). In MeTr, the Asn residue swings from a distant position to within H-bonding distance of the N5 atom upon CH 3 -H 4 folate binding. An N199A variant exhibits only ∼20-fold weakened affinity for CH 3 -H 4 folate but a much more marked 20,000-40,000-fold effect on catalysis, suggesting that Asn-199 plays an important role in stabilizing a transition state or high energy intermediate for methyl transfer

  9. Hydrogen Peroxide Involved Anodic Charge Transfer and Electrochemiluminescence of All-Inorganic Halide Perovskite CsPbBr3 Nanocrystals in an Aqueous Medium.

    Science.gov (United States)

    Huang, Yan; Long, Xiaoyan; Shen, Dazhong; Zou, Guizheng; Zhang, Bin; Wang, Huaisheng

    2017-09-05

    Reactive oxygen species (ROS) involved anodic charge transfer and electrochemiluminescence (ECL) of all-inorganic halide perovskite CsPbBr 3 nanocrystals (NCs) were investigated in an aqueous medium with hydrogen peroxide (H 2 O 2 ) as the model. CsPbBr 3 NCs could be electrochemically oxidized to positively charged states by injecting holes onto the highest occupied molecular orbitals and could be chemically reduced to negatively charged states by injecting electrons onto the lowest unoccupied molecular orbitals by ROS. The charge transfer between CsPbBr 3 NCs of oxidative and reductive states could bring out monochromatic ECL with onset around +0.8 V, maximum emission around 519 nm, and a full width at half-maximum around 20 nm. H 2 O 2 could selectively enhance the anodic ECL of CsPbBr 3 NCs, which not only opened a way to design a bioprocess-involved photovoltaic device with CsPbBr 3 NCs but also was promising for color-selective ECL biosensing.

  10. Structural and vibrational spectroscopic studies on charge transfer and ionic hydrogen bonding interactions of melaminium benzoate dihydrate

    Science.gov (United States)

    Kanagathara, N.; Marchewka, M. K.; Drozd, M.; Gunasekaran, S.; Rajakumar, P. R.; Anbalagan, G.

    2015-06-01

    Single crystals of melaminium benzoate dihydrate (MBDH) have been grown from aqueous solution by the slow solvent evaporation method at room temperature. Crystalline nature of the grown crystal has been confirmed by X-ray powder diffraction studies. The optimized geometry, frequency and intensity of the vibrational bands of MBDH were obtained by the Hartree-Fock and density functional theory using B3LYP/cam-B3LYP with 6-311++G(d,p) basis set. The harmonic vibrational frequencies were calculated and the scaled values have been compared with the experimental FT-IR and FT-Raman spectral values. The obtained vibrational wavenumbers and optimized geometric parameters are found to be in good agreement with the experimental data. UV-Visible spectrum was recorded in the region 200-400 nm and the electronic properties, HOMO-LUMO energies and other related electronic parameters are calculated. The isotropic chemical shifts computed by 1H and 13C NMR analysis also show good agreement with experimental observation. Natural bond orbital (NBO) analysis has been performed on MBDH compound to analyze the stability of the molecule arising from hyperconjugative interactions and charge delocalization. Molecular electrostatic potential surface (MEP) has also been performed by DFT/cam-B3LYP method with 6-311++G(d,p) basis set. Differential scanning calorimetric measurements performed on the powder sample indicate the phase transition point approximately at 368 and 358 K for heating and cooling, respectively.

  11. Charge-transfer collisions of multicharged ions with atomic and molecular hydrogen: measurements with low-energy accelerators

    International Nuclear Information System (INIS)

    Phaneuf, R.A.; Meyer, F.W.; Crandall, D.H.

    1977-01-01

    Electron-capture cross sections for O/sup +q/ + H → O/sup +q-1/ + H + and O/sup +q/ + H 2 → O/sup +q-1/ + H 2 + are shown for projectile energies from 10 to 1300 keV. At low energies the cross sections are determined by details of the quasi-molecule potential; at higher energies momentum transfer becomes the dominant mechanism, and the cross sections fall off similarly. Results with other projectiles are described briefly. 1 figure

  12. In-situ biogas upgrading in thermophilic granular UASB reactor: key factors affecting the hydrogen mass transfer rate.

    Science.gov (United States)

    Bassani, Ilaria; Kougias, Panagiotis G; Angelidaki, Irini

    2016-12-01

    Biological biogas upgrading coupling CO 2 with external H 2 to form biomethane opens new avenues for sustainable biofuel production. For developing this technology, efficient H 2 to liquid transfer is fundamental. This study proposes an innovative setup for in-situ biogas upgrading converting the CO 2 in the biogas into CH 4 , via hydrogenotrophic methanogenesis. The setup consisted of a granular reactor connected to a separate chamber, where H 2 was injected. Different packing materials (rashig rings and alumina ceramic sponge) were tested to increase gas-liquid mass transfer. This aspect was optimized by liquid and gas recirculation and chamber configuration. It was shown that by distributing H 2 through a metallic diffuser followed by ceramic sponge in a separate chamber, having a volume of 25% of the reactor, and by applying a mild gas recirculation, CO 2 content in the biogas dropped from 42 to 10% and the final biogas was upgraded from 58 to 82% CH 4 content. Copyright © 2016 Elsevier Ltd. All rights reserved.

  13. Very slow neutrons

    International Nuclear Information System (INIS)

    Frank, A.

    1983-01-01

    The history is briefly presented of the research so far of very slow neutrons and their basic properties are explained. The methods are described of obtaining very slow neutrons and the problems of their preservation are discussed. The existence of very slow neutrons makes it possible to perform experiments which may deepen the knowledge of the fundamental properties of neutrons. Their wavelength approximates that of visible radiation. The possibilities and use are discussed of neutron optical systems (neutron microscope) which could be an effective instrument for the study of the detailed arrangement, especially of organic substances. (B.S.)

  14. Tetrapeptide-coumarin conjugate 3D networks based on hydrogen-bonded charge transfer complexes: gel formation and dye release.

    Science.gov (United States)

    Guo, Zongxia; Gong, Ruiying; Jiang, Yi; Wan, Xiaobo

    2015-08-14

    Oligopeptide-based derivatives are important synthons for bio-based functional materials. In this article, a Gly-(L-Val)-Gly-(L-Val)-coumarin (GVGV-Cou) conjugate was synthesized, which forms 3D networks in ethanol. The gel nanostructures were characterized by UV-vis spectroscopy, FT-IR spectroscopy, X-ray diffraction (XRD), SEM and TEM. It is suggested that the formation of charge transfer (CT) complexes between the coumarin moieties is the main driving force for the gel formation. The capability of the gel to encapsulate and release dyes was explored. Both Congo Red (CR) and Methylene Blue (MB) can be trapped in the CT gel matrix and released over time. The present gel might be used as a functional soft material for guest encapsulation and release.

  15. Direct electron transfer of glucose oxidase and dual hydrogen peroxide and glucose detection based on water-dispersible carbon nanotubes derivative

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Hsiao-Chien [Department of Biochemistry and Molecular Cell Biology, School of Medicine, College of Medicine, Taipei Medical University, 250, Wuxing St., Taipei 11031, Taiwan (China); Tu, Yi-Ming; Hou, Chung-Che [Department of Chemical and Materials Engineering, Chang Gung University, 259 Wen-Hwa 1st Rd., Tao-Yuan 33302, Taiwan (China); Lin, Yu-Chen [Wah Hong industrial Co. Ltd., 6 Lixing St., Guantian Dist., Tainan City 72046,Taiwan (China); Chen, Ching-Hsiang [Graduate Institute of Applied Science and Technology, National Taiwan University of Science and Technology, 43 Keelung Rd., Sec. 4, Taipei 10607, Taiwan (China); Yang, Kuang-Hsuan, E-mail: khy@mail.vnu.edu.tw [Department of Food and Beverage Management, Vanung University, 1, Van Nung Rd., Shuei-Wei Li, Chung-Li City 32061, Taiwan (China)

    2015-03-31

    Highlights: • Dual hydrogen peroxide and glucose sensor. • Direct electrochemistry of glucose oxidase used MWCNT-Py/GC electrode. • Change sensing function by adjusting pH value. - Abstract: A water-dispersible multi-walled carbon nanotubes (MWCNTs) derivative, MWCNTs-1-one-dihydroxypyridine (MWCNTs-Py) was synthesis via Friedel–Crafts chemical acylation. Raman spectra demonstrated the conjugated level of MWCNTs-Py was retained after this chemical modification. MWCNTs-Py showed dual hydrogen peroxide (H{sub 2}O{sub 2}) and glucose detections without mutual interference by adjusting pH value. It was sensitive to H{sub 2}O{sub 2} in acidic solution and displayed the high performances of sensitivity, linear range, response time and stability; meanwhile it did not respond to H{sub 2}O{sub 2} in neutral solution. In addition, this positively charged MWCNTs-Py could adsorb glucose oxidase (GOD) by electrostatic attraction. MWCNTs-Py-GOD/GC electrode showed the direct electron transfer (DET) of GOD with a pair of well-defined redox peaks, attesting the bioactivity of GOD was retained due to the non-destroyed immobilization. The high surface coverage of active GOD (3.5 × 10{sup −9} mol cm{sup −2}) resulted in exhibiting a good electrocatalytic activity toward glucose. This glucose sensor showed high sensitivity (68.1 μA mM{sup −1} cm{sup −2}) in a linear range from 3 μM to 7 mM in neutral buffer solution. The proposed sensor could distinguish H{sub 2}O{sub 2} and glucose, thus owning high selectivity and reliability.

  16. Efficient Electron Transfer across a ZnO-MoS2 -Reduced Graphene Oxide Heterojunction for Enhanced Sunlight-Driven Photocatalytic Hydrogen Evolution.

    Science.gov (United States)

    Kumar, Suneel; Reddy, Nagappagari Lakshmana; Kushwaha, Himmat Singh; Kumar, Ashish; Shankar, Muthukonda Venkatakrishnan; Bhattacharyya, Kaustava; Halder, Aditi; Krishnan, Venkata

    2017-09-22

    The development of noble metal-free catalysts for hydrogen evolution is required for energy applications. In this regard, ternary heterojunction nanocomposites consisting of ZnO nanoparticles anchored on MoS 2 -RGO (RGO=reduced graphene oxide) nanosheets as heterogeneous catalysts show highly efficient photocatalytic H 2 evolution. In the photocatalytic process, the catalyst dispersed in an electrolytic solution (S 2- and SO 3 2- ions) exhibits an enhanced rate of H 2 evolution, and optimization experiments reveal that ZnO with 4.0 wt % of MoS 2 -RGO nanosheets gives the highest photocatalytic H 2 production of 28.616 mmol h -1  g cat -1 under sunlight irradiation; approximately 56 times higher than that on bare ZnO and several times higher than those of other ternary photocatalysts. The superior catalytic activity can be attributed to the in situ generation of ZnS, which leads to improved interfacial charge transfer to the MoS 2 cocatalyst and RGO, which has plenty of active sites available for photocatalytic reactions. Recycling experiments also proved the stability of the optimized photocatalyst. In addition, the ternary nanocomposite displayed multifunctional properties for hydrogen evolution activity under electrocatalytic and photoelectrocatalytic conditions owing to the high electrode-electrolyte contact area. Thus, the present work provides very useful insights for the development of inexpensive, multifunctional catalysts without noble metal loading to achieve a high rate of H 2 generation. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Direct electron transfer of glucose oxidase and dual hydrogen peroxide and glucose detection based on water-dispersible carbon nanotubes derivative

    International Nuclear Information System (INIS)

    Chen, Hsiao-Chien; Tu, Yi-Ming; Hou, Chung-Che; Lin, Yu-Chen; Chen, Ching-Hsiang; Yang, Kuang-Hsuan

    2015-01-01

    Highlights: • Dual hydrogen peroxide and glucose sensor. • Direct electrochemistry of glucose oxidase used MWCNT-Py/GC electrode. • Change sensing function by adjusting pH value. - Abstract: A water-dispersible multi-walled carbon nanotubes (MWCNTs) derivative, MWCNTs-1-one-dihydroxypyridine (MWCNTs-Py) was synthesis via Friedel–Crafts chemical acylation. Raman spectra demonstrated the conjugated level of MWCNTs-Py was retained after this chemical modification. MWCNTs-Py showed dual hydrogen peroxide (H 2 O 2 ) and glucose detections without mutual interference by adjusting pH value. It was sensitive to H 2 O 2 in acidic solution and displayed the high performances of sensitivity, linear range, response time and stability; meanwhile it did not respond to H 2 O 2 in neutral solution. In addition, this positively charged MWCNTs-Py could adsorb glucose oxidase (GOD) by electrostatic attraction. MWCNTs-Py-GOD/GC electrode showed the direct electron transfer (DET) of GOD with a pair of well-defined redox peaks, attesting the bioactivity of GOD was retained due to the non-destroyed immobilization. The high surface coverage of active GOD (3.5 × 10 −9 mol cm −2 ) resulted in exhibiting a good electrocatalytic activity toward glucose. This glucose sensor showed high sensitivity (68.1 μA mM −1 cm −2 ) in a linear range from 3 μM to 7 mM in neutral buffer solution. The proposed sensor could distinguish H 2 O 2 and glucose, thus owning high selectivity and reliability

  18. Hydrogen maser clocks in space for solid-Earth research and time-transfer applications: Experiment overview and evaluation of Russian miniature sapphire loaded cavity

    Science.gov (United States)

    Busca, G.; Bernier, L. G.; Silvestrin, P.; Feltham, S.; Gaygerov, B. A.; Tatarenkov, V. M.

    1994-05-01

    The Observatoire Cantonal de Neuchatel (ON) is developing for ESTEC a compact H-maser for space use based upon a miniature sapphire loaded microwave cavity, a technique pioneered at VNIIFTRI. Various contacts between West-European parties, headed by ESA, and the Russian parties, headed by ESA, led to the proposal for flying two H-masers on Meteor 3M, a Russian meteorology satellite in low polar orbit. The experiment will include two masers, one provided by ON and the other by VNIIFTRI. T/F transfer and precise positioning will be performed by both a microwave link, using PRARE equipment, and an optical link, using LASSO-like equipment. The main objectives of the experiment are precise orbit determination and point positioning for geodetic/geophysical research, ultra-accurate time comparison and dissemination as well as in-orbit demonstration of operation and performance of H-masers. Within the scope of a preliminary space H-maser development phase performed for ESTEC at ON in preparation to the joint experiment, a Russian miniature sapphire loaded microwave cavity, on loan from VNIIFTRI, was evaluated in a full-size EFOS hydrogen maser built by ON. The experimental evaluation confirmed the theoretical expectation that with a hydrogen storage volume of only 0.65 liter an atomic quality factor of 1.5 x 10(exp 9) can be obtained for a -105 dBm output power. This represents a theoretical Allan deviation of 1.7 x 10(exp -15) averaged on a 1000 s time interval. From a full-size design to a compact one, therefore, the sacrifice in performance due to the reduction of the storage volume is very small.

  19. Transformer Industry Productivity Slows.

    Science.gov (United States)

    Otto, Phyllis Flohr

    1981-01-01

    Annual productivity increases averaged 2.4 percent during 1963-79, slowing since 1972 to 1.5 percent; computer-assisted design and product standardization aided growth in output per employee-hour. (Author)

  20. Reaction pathways of proton transfer in hydrogen-bonded phenol-carboxylate complexes explored by combined UV-vis and NMR spectroscopy.

    Science.gov (United States)

    Koeppe, Benjamin; Tolstoy, Peter M; Limbach, Hans-Heinrich

    2011-05-25

    Combined low-temperature NMR/UV-vis spectroscopy (UVNMR), where optical and NMR spectra are measured in the NMR spectrometer under the same conditions, has been set up and applied to the study of H-bonded anions A··H··X(-) (AH = 1-(13)C-2-chloro-4-nitrophenol, X(-) = 15 carboxylic acid anions, 5 phenolates, Cl(-), Br(-), I(-), and BF(4)(-)). In this series, H is shifted from A to X, modeling the proton-transfer pathway. The (1)H and (13)C chemical shifts and the H/D isotope effects on the latter provide information about averaged H-bond geometries. At the same time, red shifts of the π-π* UV-vis absorption bands are observed which correlate with the averaged H-bond geometries. However, on the UV-vis time scale, different tautomeric states and solvent configurations are in slow exchange. The combined data sets indicate that the proton transfer starts with a H-bond compression and a displacement of the proton toward the H-bond center, involving single-well configurations A-H···X(-). In the strong H-bond regime, coexisting tautomers A··H···X(-) and A(-)···H··X are observed by UV. Their geometries and statistical weights change continuously when the basicity of X(-) is increased. Finally, again a series of single-well structures of the type A(-)···H-X is observed. Interestingly, the UV-vis absorption bands are broadened inhomogeneously because of a distribution of H-bond geometries arising from different solvent configurations.

  1. KEK-IMSS Slow Positron Facility

    Energy Technology Data Exchange (ETDEWEB)

    Hyodo, T; Wada, K; Yagishita, A; Kosuge, T; Saito, Y; Kurihara, T; Kikuchi, T; Shirakawa, A; Sanami, T; Ikeda, M; Ohsawa, S; Kakihara, K; Shidara, T, E-mail: toshio.hyodo@kek.jp [High Energy Accelerator Research Organization (KEK) 1-1 Oho, Tsukuba, Ibaraki, 305-0801 (Japan)

    2011-12-01

    The Slow Positron Facility at the Institute of Material Structure Science (IMSS) of High Energy Accelerator Research Organization (KEK) is a user dedicated facility with an energy tunable (0.1 - 35 keV) slow positron beam produced by a dedicated 55MeV linac. The present beam line branches have been used for the positronium time-of-flight (Ps-TOF) measurements, the transmission positron microscope (TPM) and the photo-detachment of Ps negative ions (Ps{sup -}). During the year 2010, a reflection high-energy positron diffraction (RHEPD) measurement station is going to be installed. The slow positron generator (converter/ moderator) system will be modified to get a higher slow positron intensity, and a new user-friendly beam line power-supply control and vacuum monitoring system is being developed. Another plan for this year is the transfer of a {sup 22}Na-based slow positron beam from RIKEN. This machine will be used for the continuous slow positron beam applications and for the orientation training of those who are interested in beginning researches with a slow positron beam.

  2. Orbital-optimized coupled-electron pair theory and its analytic gradients: Accurate equilibrium geometries, harmonic vibrational frequencies, and hydrogen transfer reactions

    Science.gov (United States)

    Bozkaya, Uǧur; Sherrill, C. David

    2013-08-01

    Orbital-optimized coupled-electron pair theory [or simply "optimized CEPA(0)," OCEPA(0), for short] and its analytic energy gradients are presented. For variational optimization of the molecular orbitals for the OCEPA(0) method, a Lagrangian-based approach is used along with an orbital direct inversion of the iterative subspace algorithm. The cost of the method is comparable to that of CCSD [O(N6) scaling] for energy computations. However, for analytic gradient computations the OCEPA(0) method is only half as expensive as CCSD since there is no need to solve the λ2-amplitude equation for OCEPA(0). The performance of the OCEPA(0) method is compared with that of the canonical MP2, CEPA(0), CCSD, and CCSD(T) methods, for equilibrium geometries, harmonic vibrational frequencies, and hydrogen transfer reactions between radicals. For bond lengths of both closed and open-shell molecules, the OCEPA(0) method improves upon CEPA(0) and CCSD by 25%-43% and 38%-53%, respectively, with Dunning's cc-pCVQZ basis set. Especially for the open-shell test set, the performance of OCEPA(0) is comparable with that of CCSD(T) (ΔR is 0.0003 Å on average). For harmonic vibrational frequencies of closed-shell molecules, the OCEPA(0) method again outperforms CEPA(0) and CCSD by 33%-79% and 53%-79%, respectively. For harmonic vibrational frequencies of open-shell molecules, the mean absolute error (MAE) of the OCEPA(0) method (39 cm-1) is fortuitously even better than that of CCSD(T) (50 cm-1), while the MAEs of CEPA(0) (184 cm-1) and CCSD (84 cm-1) are considerably higher. For complete basis set estimates of hydrogen transfer reaction energies, the OCEPA(0) method again exhibits a substantially better performance than CEPA(0), providing a mean absolute error of 0.7 kcal mol-1, which is more than 6 times lower than that of CEPA(0) (4.6 kcal mol-1), and comparing to MP2 (7.7 kcal mol-1) there is a more than 10-fold reduction in errors. Whereas the MAE for the CCSD method is only 0.1 kcal

  3. Nanomaterials for Hydrogen Storage

    Indian Academy of Sciences (India)

    concepts transferred from the gaseous state. Separation of a ... molecular mass to that calculated by colligative methods. It is important in ... namics is vital in the design and optimization of the materials for hydrogen ... vehicular applications.

  4. Dual Mechanism of an Intramolecular Charge Transfer (ICT)-FRET-Based Fluorescent Probe for the Selective Detection of Hydrogen Peroxide.

    Science.gov (United States)

    Liang, Xiao; Xu, Xiaoyi; Qiao, Dan; Yin, Zheng; Shang, Luqing

    2017-12-14

    A dual-mechanism intramolecular charge transfer (ICT)-FRET fluorescent probe for the selective detection of H 2 O 2 in living cells has been designed and synthesized. This probe used a coumarin-naphthalimide hybrid as the FRET platform and a boronate moiety as the recognition group. Upon the addition of H 2 O 2 , the probe exhibited a redshifted (73 nm) fluorescence emission, and the ratio of fluorescence intensities at λ=558 and 485 nm (F 558 /F 485 ) shifted notably (up to 100-fold). Moreover, there was a good linearity (R 2 =0.9911) between the ratio and concentration of H 2 O 2 in the range of 0 to 60 μm, with a limit of detection of 0.28 μm (signal to noise ratio (S/N)=3). This probe could also detect enzymatically generated H 2 O 2 . Importantly, it could be used to visualize endogenous H 2 O 2 produced by stimulation from epidermal growth factor. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Electron transfer processes in ion collisions with atomic hydrogen. Final report for period February 1, 1975--June 30, 1976

    International Nuclear Information System (INIS)

    Bayfield, J.E.

    1976-07-01

    Results of experiments completed with Yale equipment coupled to the Oak Ridge Test Bench and Tandem Accelerator facilities are presented. Electron transfer cross sections have been measured at keV collision energies for B, C, N and O ions colliding with H, H 2 , Ar and He gas targets. The ion charge states studied range from +2 through +5. Also reported are cross sections for Si and Fe ions on H, H 2 and Ar at energies between 1.5 and 14 MeV, with charge states varying between +5 and +13. Also measured were the cross sections for H + collisions with H, H 2 and Ar for energies between 0.8 and 2.5 MeV. At keV energies the cross sections for highly charged B, C, N and O ions are found to be 1 x 10 -14 cm 2 . The cross sections for 4 MeV Fe ions scale roughly with the square of the ion charge, and have values as high as 0.5 x 10 -14 cm 2 for Fe 10+ + H collisions. A strong energy dependence is found for Fe ion collisions between 4 and 14 MeV. Previous results for MeV H + + Ar collisions are nicely reproduced, while our first results for the fundamental MeV H + - H collision problem are cross sections higher than many theoretical predictions

  6. Monte-Carlo method for studying the slowing down of neutrons in a thin plate of hydrogenated matter; Methode de Monte-Carlo pour l'etude du ralentissement des neutrons dans une plaque mince de matiere hydrogenee

    Energy Technology Data Exchange (ETDEWEB)

    Ribon, P; Michaudon, A [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1965-07-01

    The studies of interaction of slow neutrons with atomic nuclei by means of the time of flight methods are made with a pulsed neutron source with a broad energy spectrum. The measurement accuracy needs a high intensity and an output time as short as possible and well defined. If the neutrons source is a target bombarded by the beam of a pulsed accelerator, it is usually required to slow down the neutrons to obtain a sufficient intensity at low energies. The purpose of the Monte-Carlo method which is described in this paper is to study the slowing down properties, mainly the intensity and the output time distribution of the slowed-down neutrons. The choice of the method and parameters studied is explained as well as the principles, some calculations and the program organization. A few results given as examples were obtained in the line of this program, the limits of which are principally due to simplifying physical hypotheses. (author) [French] l'etude de l'interaction des neutrons lents avec les noyaux atomiques par la methode du temps de vol s'effectue avec une source pulsee de neutrons dont le spectre en energie est assez etendu. La precision des mesures demande que la source soit intense et que la duree d'emission des neutrons soit breve et bien definie. Si la source est une cible bombardee par le faisceau de particules d'un accelerateur pulse, il est generalement indispensable de ralentir les neutrons pour avoir une intensite suffisante a basse energie. Nous presentons ici une methode de Monte-Carlo pour l'etude detaillee de ce ralentissement, notamment l'intensite et la distribution des temps de sortie des neutrons ralentis. Cette presentation comprend: la justification du choix de la methode de Monte-Carlo, les principes generaux, les differentes etapes du calcul et du programme ecrit pour le calculateur electronique IBM 7090. Nous indiquons aussi les restrictions qui sont apportees au domaine d'application de ce programme et qui proviennent surtout des

  7. Direct electron transfer of glucose oxidase and dual hydrogen peroxide and glucose detection based on water-dispersible carbon nanotubes derivative.

    Science.gov (United States)

    Chen, Hsiao-Chien; Tu, Yi-Ming; Hou, Chung-Che; Lin, Yu-Chen; Chen, Ching-Hsiang; Yang, Kuang-Hsuan

    2015-03-31

    A water-dispersible multi-walled carbon nanotubes (MWCNTs) derivative, MWCNTs-1-one-dihydroxypyridine (MWCNTs-Py) was synthesis via Friedel-Crafts chemical acylation. Raman spectra demonstrated the conjugated level of MWCNTs-Py was retained after this chemical modification. MWCNTs-Py showed dual hydrogen peroxide (H2O2) and glucose detections without mutual interference by adjusting pH value. It was sensitive to H2O2 in acidic solution and displayed the high performances of sensitivity, linear range, response time and stability; meanwhile it did not respond to H2O2 in neutral solution. In addition, this positively charged MWCNTs-Py could adsorb glucose oxidase (GOD) by electrostatic attraction. MWCNTs-Py-GOD/GC electrode showed the direct electron transfer (DET) of GOD with a pair of well-defined redox peaks, attesting the bioactivity of GOD was retained due to the non-destroyed immobilization. The high surface coverage of active GOD (3.5×10(-9) mol cm(-2)) resulted in exhibiting a good electrocatalytic activity toward glucose. This glucose sensor showed high sensitivity (68.1 μA mM(-1) cm(-2)) in a linear range from 3 μM to 7 mM in neutral buffer solution. The proposed sensor could distinguish H2O2 and glucose, thus owning high selectivity and reliability. Copyright © 2015. Published by Elsevier B.V.

  8. 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.

  9. Sites involved in intra- and interdomain allostery associated with the activation of factor VIIa pinpointed by hydrogen-deuterium exchange and electron transfer dissociation mass spectrometry.

    Science.gov (United States)

    Song, Hongjian; Olsen, Ole H; Persson, Egon; Rand, Kasper D

    2014-12-19

    Factor VIIa (FVIIa) is a trypsin-like protease that plays an important role in initiating blood coagulation. Very limited structural information is available for the free, inactive form of FVIIa that circulates in the blood prior to vascular injury and the molecular details of its activity enhancement remain elusive. Here we have applied hydrogen/deuterium exchange mass spectrometry coupled to electron transfer dissociation to pinpoint individual residues in the heavy chain of FVIIa whose conformation and/or local interaction pattern changes when the enzyme transitions to the active form, as induced either by its cofactor tissue factor or a covalent active site inhibitor. Identified regulatory residues are situated at key sites across one continuous surface of the protease domain spanning the TF-binding helix across the activation pocket to the calcium binding site and are embedded in elements of secondary structure and at the base of flexible loops. Thus these residues are optimally positioned to mediate crosstalk between functional sites in FVIIa, particularly the cofactor binding site and the active site. Our results unambiguously show that the conformational allosteric activation signal extends to the EGF1 domain in the light chain of FVIIa, underscoring a remarkable intra- and interdomain allosteric regulation of this trypsin-like protease. © 2014 by The American Society for Biochemistry and Molecular Biology, Inc.

  10. Synthesis and characterization of rhodium(I) complexes with P-N donor ligands and their catalytic application in transfer hydrogenation of carbonyl group

    Energy Technology Data Exchange (ETDEWEB)

    Barah, Geetika; Sarmah, Podma Poliov; Boruah, Devajani [Dept. of Chemistry, Dibrugarh University, Dibrugarh (India)

    2015-04-15

    Three rhodium(I) complexes of the types [Rh(COE)Cl(η{sup 2}-L)] (1a,1b) and [RhCl(η{sup 2}-L) (η{sup 1}-L)] (1c), where L = P⁓N donor ligands 2-[2-(diphenylphosphino) ethyl]pyridine, (PPh{sub 2}Etpy) (a), 2-(diphenylphosphino)pyridine (PPh{sub 2}py) (b), and 3-(diphenylphosphino)-1-propylamine (PPh{sub 2}(CH{sub 2}){sub 3}NH{sub 2}) (c), have been synthesized by reacting [Rh(coe){sub 2}Cl]{sub 2} with the respective ligands in 1:2 molar ratio for 1a, 1b and 1:4 molar ratio for 1c in DCM under refluxing condition. The complexes were characterized using different analytical techniques such as FT-IR, ESI(+) mass spectrometry, {sup 1}H and {sup 31}P{"1H} NMR spectrometry, conductivity measurements, and melting point determination. The synthesized complexes were found to exhibit good catalytic activity for the transfer hydrogenation of carbonyl compounds to corresponding alcohols with high conversion rate.

  11. Coumarin or benzoxazinone bearing benzimidazolium and bis(benzimidazolium salts; involvement in transfer hydrogenation of acetophenone derivatives and hCA inhibition

    Directory of Open Access Journals (Sweden)

    Mert Olgun Karataş

    2015-10-01

    Full Text Available Four new salts of benzimidazolium and bis(benzimidazolium which include coumarin or benzoxazinone moieties were synthesized and the structures of the newly synthesized compounds were elucidated on the basis of spectral analyses such as 1H-NMR, 13C-NMR, HSQC, IR, LC-MS and elemental analysis. Benzimidazolium salts were used intensively as N-heterocyclic carbene (NHC precursors in the various catalytic reactions such as transfer hydrogenation (TH, C-H bond activation, Heck, Suzuki reaction etc. With the prospect of potential NHC precursor properties of the synthesized compounds, they were employed in the (TH reaction of p-substitute acetophenones (acetophenone, p-methyl acetophenone, p-chloro acetophenone and good yields were observed. Coumarin compounds are known as inhibitor of carbonic anhydrase and inhibition effects of the synthesized compounds on human carbonic anhydrases (hCA were investigated as in vitro. The in vitro results demonstrated that all compounds inhibited hCA I and hCA II activity. Among the synthesized compounds 1,4-bis(1-((6,8-dimethyl-2H-chromen-2-one-4-ylmethylbenzimidazolium-3-ylbutane dichloride was found to be the most active IC50= 5.55 mM and 6.06 mM for hCA I and hCA II, respectively.

  12. 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.

  13. SPS slow extraction septa

    CERN Multimedia

    CERN PhotoLab

    1979-01-01

    SPS long straight section (LSS) with a series of 5 septum tanks for slow extraction (view in the direction of the proton beam). There are 2 of these: in LSS2, towards the N-Area; in LSS6 towards the W-Area. See also Annual Report 1975, p.175.

  14. AGS slow extraction improvements

    International Nuclear Information System (INIS)

    Glenn, J.W.; Smith, G.A.; Sandberg, J.N.; Repeta, L.; Weisberg, H.

    1979-01-01

    Improvement of the straightness of the F5 copper septum increased the AGS slow extraction efficiency from approx. 80% to approx. 90%. Installation of an electrostatic septum at H2O, 24 betatron wavelengths upstream of F5, further improved the extraction efficiency to approx. 97%

  15. PF slow positron source

    International Nuclear Information System (INIS)

    Shirakawa, A.; Enomoto, A.; Kurihara, T.

    1993-01-01

    A new slow-positron source is under construction at the Photon Factory. Positrons are produced by bombarding a tantalum rod with high-energy electrons; they are moderated in multiple tungsten vanes. We report here the present status of this project. (author)

  16. Nonheme Fe(IV) Oxo Complexes of Two New Pentadentate Ligands and Their Hydrogen-Atom and Oxygen-Atom Transfer Reactions.

    Science.gov (United States)

    Mitra, Mainak; Nimir, Hassan; Demeshko, Serhiy; Bhat, Satish S; Malinkin, Sergey O; Haukka, Matti; Lloret-Fillol, Julio; Lisensky, George C; Meyer, Franc; Shteinman, Albert A; Browne, Wesley R; Hrovat, David A; Richmond, Michael G; Costas, Miquel; Nordlander, Ebbe

    2015-08-03

    Two new pentadentate {N5} donor ligands based on the N4Py (N4Py = N,N-bis(2-pyridylmethyl)-N-bis(2-pyridyl)methylamine) framework have been synthesized, viz. [N-(1-methyl-2-benzimidazolyl)methyl-N-(2-pyridyl)methyl-N-(bis-2-pyridyl methyl)amine] (L(1)) and [N-bis(1-methyl-2-benzimidazolyl)methyl-N-(bis-2-pyridylmethyl)amine] (L(2)), where one or two pyridyl arms of N4Py have been replaced by corresponding (N-methyl)benzimidazolyl-containing arms. The complexes [Fe(II)(CH3CN)(L)](2+) (L = L(1) (1); L(2) (2)) were synthesized, and reaction of these ferrous complexes with iodosylbenzene led to the formation of the ferryl complexes [Fe(IV)(O)(L)](2+) (L = L(1) (3); L(2) (4)), which were characterized by UV-vis spectroscopy, high resolution mass spectrometry, and Mössbauer spectroscopy. Complexes 3 and 4 are relatively stable with half-lives at room temperature of 40 h (L = L(1)) and 2.5 h (L = L(2)). The redox potentials of 1 and 2, as well as the visible spectra of 3 and 4, indicate that the ligand field weakens as ligand pyridyl substituents are progressively substituted by (N-methyl)benzimidazolyl moieties. The reactivities of 3 and 4 in hydrogen-atom transfer (HAT) and oxygen-atom transfer (OAT) reactions show that both complexes exhibit enhanced reactivities when compared to the analogous N4Py complex ([Fe(IV)(O)(N4Py)](2+)), and that the normalized HAT rates increase by approximately 1 order of magnitude for each replacement of a pyridyl moiety; i.e., [Fe(IV)(O)(L(2))](2+) exhibits the highest rates. The second-order HAT rate constants can be directly related to the substrate C-H bond dissociation energies. Computational modeling of the HAT reactions indicates that the reaction proceeds via a high spin transition state.

  17. Synthesis and anion binding studies of tris(3-aminopropyl)amine-based tripodal urea and thiourea receptors: Proton transfer-induced selectivity for hydrogen sulfate over sulfate.

    Science.gov (United States)

    Khansari, Maryam Emami; Johnson, Corey R; Basaran, Ismet; Nafis, Aemal; Wang, Jing; Leszczynski, Jerzy; Hossain, Md Alamgir

    2015-01-01

    Tris(3-aminopropyl)amine-based tripodal urea and thiourea receptors, tris([(4-cyanophenyl)amino]propyl)urea ( L1 ) and tris([(4-cyanophenyl)amino]propyl)thiourea ( L2 ), have been synthesized and their anion binding properties have been investigated for halides and oxoanions. As investigated by 1 H NMR titrations, each receptor binds an anion with a 1:1 stoichiometry via hydrogen-bonding interactions (NH⋯anion), showing the binding trend in the order of F - > H 2 PO 4 - > HCO 3 - > HSO 4 - > CH 3 COO - > SO 4 2- > Cl - > Br - > I in DMSO- d 6 . The interactions of the receptors were further studied by 2D NOESY, showing the loss of NOESY contacts of two NH resonances for the complexes of F - , H 2 PO 4 - , HCO 3 - , HSO 4 - or CH 3 COO - due to the strong NH⋯anion interactions. The observed higher binding affinity for HSO 4 - than SO 4 2- is attributed to the proton transfer from HSO 4 - to the central nitrogen of L1 or L2 which was also supported by the DFT calculations, leading to the secondary acid-base interactions. The thiourea receptor L2 has a general trend to show a higher affinity for an anion as compared to the urea receptor L1 for the corresponding anion in DMSO- d 6 . In addition, the compound L2 has been exploited for its extraction properties for fluoride in water using a liquid-liquid extraction technique, and the results indicate that the receptor effectively extracts fluoride from water showing ca. 99% efficiency (based on L2 ).

  18. High-performance liquid chromatographic method to evaluate the hydrogen atom transfer during reaction between 1,1-diphenyl-2-picryl-hydrazyl radical and antioxidants

    International Nuclear Information System (INIS)

    Boudier, Ariane; Tournebize, Juliana; Bartosz, Grzegorz; El Hani, Safae; Bengueddour, Rachid; Sapin-Minet, Anne; Leroy, Pierre

    2012-01-01

    Highlights: ► Both 1,1-diphenyl-2-picrylhydrazyl radical and its product measurement by HPLC. ► Lowest limit of detection by monitoring 1,1-diphenyl-2-picryl-hydrazine. ► Adsorption problem of the radical on HPLC parts have been pointed out. - Abstract: 1,1-Diphenyl-2-picrylhydrazyl (DPPH·) is a stable nitrogen centred radical widely used to evaluate direct radical scavenging properties of various synthetic or natural antioxidants (AOs). The bleaching rate of DPPH· absorbance at 515 nm is usually monitored for this purpose. In order to avoid the interference of complex coloured natural products used as antioxidant supplements or cosmetics, HPLC systems have been reported as alternative techniques to spectrophotometry. They also rely upon measurement of DPPH· quenching rate and none of them permits to identify and measure 1,1-diphenyl-2-picryl-hydrazine (DPPH-H), the reduced product of DPPH· resulting from hydrogen atom transfer (HAT), which is the main mechanism of the reaction between DPPH· and AOs. We presently report an HPLC method devoted to the simultaneous measurement of DPPH· and DPPH-H. Both were fully separated on a C18 column eluted with acetonitrile–10 mM ammonium citrate buffer pH 6.8 (70:30, v/v) and detected at 330 nm. Adsorption process of DPPH· onto materials of the HPLC system was pointed out. Consequently, the linearity range observed for DPPH· was restricted, thus a much lower limit of detection was obtained for DPPH-H than for DPPH· using standards (0.02 and 14 μM, respectively). The method was applied to three commonly used AOs, i.e. Trolox ® , ascorbic acid and GSH, and compared with spectrophotometry. Further application to complex matrices (cell culture media, vegetal extracts) and nanomaterials demonstrated (i) its usefulness because of higher selectivity than colorimetry, and (ii) its help to investigate the mechanisms occurring with the free radical.

  19. Excitation of simple atoms by slow magnetic monopoles

    International Nuclear Information System (INIS)

    Kroll, N.M.; Parke, S.J.; Ganapathi, V.; Drell, S.D.

    1984-01-01

    We present a theory of excitation of simple atoms by slow moving massive monopoles. Previously presented results for a monopole of Dirac strength on hydrogen and helium are reviewed. The hydrogen theory is extended to include arbitrary integral multiples of the Dirac pole strength. The excitation of helium by double strength poles and by dyons is also discussed. It is concluded that a helium proportional counter is a reliable and effective detector for monopoles of arbitrary strength, and for negatively charged dyons

  20. Slow wave cyclotron maser

    International Nuclear Information System (INIS)

    Kho, T.H.; Lin, A.T.

    1988-01-01

    Cyclotron masers such as Gyrotrons and the Autoresonance Masers, are fast wave devices: the electromagnetic wave's phase velocity v rho , is greater than the electron beam velocity, v b . To be able to convert the beam kinetic energy into radiation in these devices the beam must have an initial transverse momentum, usually obtained by propagating the beam through a transverse wiggler magnet, or along a nonuniform guide magnetic field before entry into the interaction region. Either process introduces a significant amount of thermal spread in the beam which degrades the performance of the maser. However, if the wave phase velocity v rho v b , the beam kinetic energy can be converted directly into radiation without the requirement of an initial transverse beam momentum, making a slow wave cyclotron maser a potentially simpler and more compact device. The authors present the linear and nonlinear physics of the slow wave cyclotron maser and examine its potential for practical application

  1. Slow-transit Constipation.

    Science.gov (United States)

    Bharucha, Adil E.; Philips, Sidney F.

    2001-08-01

    Idiopathic slow-transit constipation is a clinical syndrome predominantly affecting women, characterized by intractable constipation and delayed colonic transit. This syndrome is attributed to disordered colonic motor function. The disorder spans a spectrum of variable severity, ranging from patients who have relatively mild delays in transit but are otherwise indistinguishable from irritable bowel syndrome to patients with colonic inertia or chronic megacolon. The diagnosis is made after excluding colonic obstruction, metabolic disorders (hypothyroidism, hypercalcemia), drug-induced constipation, and pelvic floor dysfunction (as discussed by Wald ). Most patients are treated with one or more pharmacologic agents, including dietary fiber supplementation, saline laxatives (milk of magnesia), osmotic agents (lactulose, sorbitol, and polyethylene glycol 3350), and stimulant laxatives (bisacodyl and glycerol). A subtotal colectomy is effective and occasionally is indicated for patients with medically refractory, severe slow-transit constipation, provided pelvic floor dysfunction has been excluded or treated.

  2. Slow light invisibility, teleportation, and other mysteries of light

    CERN Document Server

    Perkowitz, Sidney

    2011-01-01

    Slow Light is a popular treatment of today's astonishing breakthroughs in the science of light. Even though we don't understand light's quantum mysteries, we can slow it to a stop and speed it up beyond its Einsteinian speed limit, 186,000 miles/sec; use it for quantum telecommunications; teleport it; manipulate it to create invisibility; and perhaps generate hydrogen fusion power with it. All this is lucidly presented for non-scientists who wonder about teleportation, Harry Potter invisibility cloaks, and other fantastic outcomes. Slow Light shows how the real science and the fantasy inspire

  3. Activation of the C-H bond: catalytic hydroxylation of hydrocarbons by new cobaltic alkylperoxydic complexes; selective and catalytic cycloalkane dehydrogenation in presence of uranium for hydrogen transfer

    International Nuclear Information System (INIS)

    Brazi, E.

    1987-01-01

    The aim of the thesis is to improve efficiency and selectivity of chemical reactions for alkane transformations. In the first part decomposition of hydroperoxides and hydrocarbon hydroxylation by cobalt complexes is studied. In the second part cycloalkanes are dehydrogenated into aromatics with a Pt catalyst, trapping hydrogen by uranium. Uranium hydride UH 3 can yield very pure hydrogen at reasonable temperature [fr

  4. Hydrogen in titanium alloys

    International Nuclear Information System (INIS)

    Wille, G.W.; Davis, J.W.

    1981-04-01

    The titanium alloys that offer properties worthy of consideration for fusion reactors are Ti-6Al-4V, Ti-6Al-2Sn-4Zr-2Mo-Si (Ti-6242S) and Ti-5Al-6Sn-2Zr-1Mo-Si (Ti-5621S). The Ti-6242S and Ti-5621S are being considered because of their high creep resistance at elevated temperatures of 500 0 C. Also, irradiation tests on these alloys have shown irradiation creep properties comparable to 20% cold worked 316 stainless steel. These alloys would be susceptible to slow strain rate embrittlement if sufficient hydrogen concentrations are obtained. Concentrations greater than 250 to 500 wppm hydrogen and temperatures lower than 100 to 150 0 C are approximate threshold conditions for detrimental effects on tensile properties. Indications are that at the elevated temperature - low hydrogen pressure conditions of the reactors, there would be negligible hydrogen embrittlement

  5. Hydrogen environment embrittlement

    International Nuclear Information System (INIS)

    Donovan, J.A.

    1975-01-01

    Exposure of many metals to gaseous hydrogen causes losses in elongation, reduction of area, and fracture toughness, and causes increases in slow crack growth rate or fatigue life compared with values obtained in air or vacuum. Hydrogen pressure, temperature, and purity significantly influence deleterious effects. The strength and structural characteristics of the metal influence the degradation of its properties by hydrogen. Several theories have been proposed to explain the loss of properties in hydrogen, but none has gained wide acceptance. The embrittlement mechanism and the role of diffusion are, therefore, open questions and need more quantitative experimental data both to test the proposed theories and to allow the development of realistic preventive measures. (U.S.)

  6. High-performance liquid chromatographic method to evaluate the hydrogen atom transfer during reaction between 1,1-diphenyl-2-picryl-hydrazyl radical and antioxidants

    Energy Technology Data Exchange (ETDEWEB)

    Boudier, Ariane; Tournebize, Juliana [CITHEFOR - EA 3452, Faculte de Pharmacie, Nancy-Universite, 5 Rue Albert Lebrun, BP 80403, 54001 Nancy Cedex (France); Bartosz, Grzegorz [Department of Molecular Biophysics, University of Lodz, Lodz (Poland); El Hani, Safae; Bengueddour, Rachid [Laboratoire de Nutrition et Sante, Biology Department, Faculty of Sciences, Ibn Tofail University, Kenitra (Morocco); Sapin-Minet, Anne [CITHEFOR - EA 3452, Faculte de Pharmacie, Nancy-Universite, 5 Rue Albert Lebrun, BP 80403, 54001 Nancy Cedex (France); Leroy, Pierre, E-mail: pierre.leroy@pharma.uhp-nancy.fr [CITHEFOR - EA 3452, Faculte de Pharmacie, Nancy-Universite, 5 Rue Albert Lebrun, BP 80403, 54001 Nancy Cedex (France)

    2012-01-20

    Highlights: Black-Right-Pointing-Pointer Both 1,1-diphenyl-2-picrylhydrazyl radical and its product measurement by HPLC. Black-Right-Pointing-Pointer Lowest limit of detection by monitoring 1,1-diphenyl-2-picryl-hydrazine. Black-Right-Pointing-Pointer Adsorption problem of the radical on HPLC parts have been pointed out. - Abstract: 1,1-Diphenyl-2-picrylhydrazyl (DPPH{center_dot}) is a stable nitrogen centred radical widely used to evaluate direct radical scavenging properties of various synthetic or natural antioxidants (AOs). The bleaching rate of DPPH{center_dot} absorbance at 515 nm is usually monitored for this purpose. In order to avoid the interference of complex coloured natural products used as antioxidant supplements or cosmetics, HPLC systems have been reported as alternative techniques to spectrophotometry. They also rely upon measurement of DPPH{center_dot} quenching rate and none of them permits to identify and measure 1,1-diphenyl-2-picryl-hydrazine (DPPH-H), the reduced product of DPPH{center_dot} resulting from hydrogen atom transfer (HAT), which is the main mechanism of the reaction between DPPH{center_dot} and AOs. We presently report an HPLC method devoted to the simultaneous measurement of DPPH{center_dot} and DPPH-H. Both were fully separated on a C18 column eluted with acetonitrile-10 mM ammonium citrate buffer pH 6.8 (70:30, v/v) and detected at 330 nm. Adsorption process of DPPH{center_dot} onto materials of the HPLC system was pointed out. Consequently, the linearity range observed for DPPH{center_dot} was restricted, thus a much lower limit of detection was obtained for DPPH-H than for DPPH{center_dot} using standards (0.02 and 14 {mu}M, respectively). The method was applied to three commonly used AOs, i.e. Trolox{sup Registered-Sign }, ascorbic acid and GSH, and compared with spectrophotometry. Further application to complex matrices (cell culture media, vegetal extracts) and nanomaterials demonstrated (i) its usefulness because of

  7. Hydrogen energy and sustainability: overview and the role for nuclear energy

    International Nuclear Information System (INIS)

    Rosen, M.A.

    2008-01-01

    This paper discusses the role of nuclear power in hydrogen energy and sustainability. Hydrogen economy is based on hydrogen production, packaging (compression, liquefaction, hydrides), distribution (pipelines, road, rail, ship), storage (pressure and cryogenic containers), transfer and finally hydrogen use

  8. A Rechargeable Hydrogen Battery.

    Science.gov (United States)

    Christudas Dargily, Neethu; Thimmappa, Ravikumar; Manzoor Bhat, Zahid; Devendrachari, Mruthunjayachari Chattanahalli; Kottaichamy, Alagar Raja; Gautam, Manu; Shafi, Shahid Pottachola; Thotiyl, Musthafa Ottakam

    2018-04-27

    We utilize proton-coupled electron transfer in hydrogen storage molecules to unlock a rechargeable battery chemistry based on the cleanest chemical energy carrier molecule, hydrogen. Electrochemical, spectroscopic, and spectroelectrochemical analyses evidence the participation of protons during charge-discharge chemistry and extended cycling. In an era of anthropogenic global climate change and paramount pollution, a battery concept based on a virtually nonpolluting energy carrier molecule demonstrates distinct progress in the sustainable energy landscape.

  9. Investigation and realization of a slow-positron beam

    International Nuclear Information System (INIS)

    Ruiz, Nicolas

    2011-01-01

    This research thesis first proposes a presentation of the GBAR project (Gravitational Behaviour of Anti-hydrogen at Rest) within which this research took place, and which aims at performing the first direct test of the Weak Equivalence Principle on anti-matter by studying the free fall of anti-hydrogen atoms in the Earth gravitational field. The author presents different aspects of this project: scientific objective, experiment principle and structure, detailed structure (positron beam, positron trap, positron/positronium conversion, anti-proton beam, trapping, slowing down and neutralisation of anti-hydrogen ions). The author then reports the design of the positron beam: study of source technology, studies related to the fast positron source, design of the low positron line (approach, functions, simulations, technology). The two last chapters report the construction and the characterization of the slow-positron line [fr

  10. How Formaldehyde Inhibits Hydrogen Evolution by [FeFe]-Hydrogenases: Determination by ¹³C ENDOR of Direct Fe-C Coordination and Order of Electron and Proton Transfers.

    Science.gov (United States)

    Bachmeier, Andreas; Esselborn, Julian; Hexter, Suzannah V; Krämer, Tobias; Klein, Kathrin; Happe, Thomas; McGrady, John E; Myers, William K; Armstrong, Fraser A

    2015-04-29

    Formaldehyde (HCHO), a strong electrophile and a rapid and reversible inhibitor of hydrogen production by [FeFe]-hydrogenases, is used to identify the point in the catalytic cycle at which a highly reactive metal-hydrido species is formed. Investigations of the reaction of Chlamydomonas reinhardtii [FeFe]-hydrogenase with formaldehyde using pulsed-EPR techniques including electron-nuclear double resonance spectroscopy establish that formaldehyde binds close to the active site. Density functional theory calculations support an inhibited super-reduced state having a short Fe-(13)C bond in the 2Fe subsite. The adduct forms when HCHO is available to compete with H(+) transfer to a vacant, nucleophilic Fe site: had H(+) transfer already occurred, the reaction of HCHO with the Fe-hydrido species would lead to methanol, release of which is not detected. Instead, Fe-bound formaldehyde is a metal-hydrido mimic, a locked, inhibited form analogous to that in which two electrons and only one proton have transferred to the H-cluster. The results provide strong support for a mechanism in which the fastest pathway for H2 evolution involves two consecutive proton transfer steps to the H-cluster following transfer of a second electron to the active site.

  11. 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.

  12. Kinetics of the excited muonic hydrogen in the mixtures of hydrogen isotopes in helium

    International Nuclear Information System (INIS)

    Bystritskij, V.M.; Kravtsov, A.V.; Popov, N.P.

    1989-01-01

    De-excitation of the excited muonic hydrogen in the mixture of hydrogen isotopes and helium is considered. The method is proposed which allows one to determine the rates of the muon transfer from the excited muonic hydrogen to helium nuclei, as well as the probability of the direct muon atomic capture by nuclei of hydrogen isotopes. 20 refs.; 4 figs

  13. Asymmetric transfer hydrogenation of ketones in aqueous solution catalyzed by Rhodium(III) complexes with C2-symmetric fluorene-ligands containing chiral (1R,2R)-cyclohexane-1,2-diamine

    Energy Technology Data Exchange (ETDEWEB)

    Montalvo-Gonzalez, Ruben [Universidad Autonoma de Nayarit, Tepic, Nay (Mexico). Unidad Academica de Ciencias Quimico Biologicas y Farmaceuticas; Chavez, Daniel; Aguirre, Gerardo; Parra-Hake, Miguel; Somanathan, Ratnasamy, E-mail: somanatha@sundown.sdsu.ed [Instituto Tecnologico de Tijuana, B.C. (Mexico). Centro de Graduados e Investigacion

    2010-07-01

    Two C{sub 2}-symmetric bis(sulfonamide) ligands containing fluorene-chiral (1R, 2R)-cyclohexane-1,2-diamine were complexed to Rh{sup III}(Cp{sup *}) and used as catalyst to reduce aromatic ketones. The corresponding chiral secondary alcohols were obtained in 87-100% ee and 85-99% yield, under asymmetric transfer hydrogenation (ATH) conditions using aqueous sodium formate as the hydride source. With acetophenone, 94% ee and 86-97% yield was achieved with substrate/catalyst (S/C) ratio of 10,000. (author)

  14. Asymmetric transfer hydrogenation of ketones in aqueous solution catalyzed by Rhodium(III) complexes with C2-symmetric fluorene-ligands containing chiral (1R,2R)-cyclohexane-1,2-diamine

    International Nuclear Information System (INIS)

    Montalvo-Gonzalez, Ruben; Chavez, Daniel; Aguirre, Gerardo; Parra-Hake, Miguel; Somanathan, Ratnasamy

    2010-01-01

    Two C 2 -symmetric bis(sulfonamide) ligands containing fluorene-chiral (1R, 2R)-cyclohexane-1,2-diamine were complexed to Rh III (Cp * ) and used as catalyst to reduce aromatic ketones. The corresponding chiral secondary alcohols were obtained in 87-100% ee and 85-99% yield, under asymmetric transfer hydrogenation (ATH) conditions using aqueous sodium formate as the hydride source. With acetophenone, 94% ee and 86-97% yield was achieved with substrate/catalyst (S/C) ratio of 10,000. (author)

  15. 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

  16. Hydrogen isotope technology

    International Nuclear Information System (INIS)

    Anon.

    1980-01-01

    Hydrogen pumping speeds on panels of molecular sieve types 5A and Na-Y were compared for a variety of sieve (and chevron) temperatures between 10 and 30 K. Although pumping speeds declined with time, probably because of the slow diffusion of hydrogen from the surface of the sieve crystals into the internal regions, the different sieve materials and operating conditions could be compared using time-averaged pump speeds. The (average) pumping speeds declined with increasing temperature. Under some conditions, the Na-Y sieve performed much better than the 5A sieve. Studies of the effect of small concentrations (approx. 4%) of hydrogen on helium pumping indicate that compound cryopumps in fusion reactors will not have to provide complete screening of hydrogen from helium panels. The concentrations of hydrogen did not lower effective helium pumping speeds or shorten the helium operating period between instabilities. Studies of tritium recovery from blankets of liquid lithium focused on design and construction of a flowing-lithium test system and on ultimate removal of tritium from yttrium sorbents. At 505 0 C, tritium release from yttrium behaves as a diffusion-controlled process, but the release rates are very low. Apparently, higher temperatures will be required for effective sorbent regeneration. An innovative technique for separating hydrogen isotopes by using bipolar electrolysis with permeable electrodes was analyzed to determine its potential usefulness in multistage separation

  17. On the cholesterol transfer rates in the rat. The search for a slow component (1961); Sur les vitesses de transfert du cholesterol chez le rat. Recherche d'une composante lente (1961)

    Energy Technology Data Exchange (ETDEWEB)

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

    1961-07-01

    The ingestion of cholesterol 4-{sup 14}C during 7, 27 and 43 weeks enables one to find that the size of the cholesterol transfer space in rats is not modified by the duration of the experiment. In male rats, the results obtained confirm on the one hand that 50 to 60 per cent of the total cholesterol of the animal is renewed by transfer, and on the other hand that 40 to 60 per cent of the cholesterol of the rat is inert as regards this process. In female rats, the size of the transfer space is 10 per cent larger than in the males, but the general conclusions are the same. (author) [French] L'ingestion de cholesterol 4-{sup 14}C durant 7, 27 et 43 semaines permet de constater que la grandeur de l'espace de transfert du cholesterol chez les rats n'est pas modifie par la duree de l'experience. Pour les rats males, les resultats, d'une part, confirment que 50 a 60 pour cent du cholesterol total de l'animal est renouvele par transfert, et d'autre part, que 40 a 50 pour cent du cholesterol du rat est inerte en regard de ce processus. Pour les rats femelles, la grandeur de l'espace de transfert est superieure de 10 pour cent a celle de l'espace de transfert des males, mais les conclusions d'ensemble restent les memes. (auteur)

  18. 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

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

    Indian Academy of Sciences (India)

    Hydrogen susceptibility of alloy AA7020 was evaluated by slow strain-rate tensile ... high pressures because of the embrittling effect of hydrogen. ... The higher the total Zn + Mg content,. ∗ .... dislocations, leading to a local softening of the slip plane, and thus to ... A Vickers hardness testing machine was used to measure the.

  20. Differential charge transfer and continuum electron capture studies for ions in atomic hydrogen. Final report, August 1, 1979-September 31, 1983

    International Nuclear Information System (INIS)

    Sellin, I.A.; Elston, S.B.

    1983-01-01

    A final technical narrative is given of progress and results obtained during the period August 1, 1979 through September 30, 1983 in a project designed to test existing theories of electron capture to continuum states of fully stripped nuclei traversing atomic hydrogen targets. 5 references

  1. Coaxial slow source

    International Nuclear Information System (INIS)

    Brooks, R.D.; Jarboe, T.R.

    1990-01-01

    Field reversed configurations (FRCs) are a class of compact toroid with not toroidal field. The field reversed theta pinch technique has been successfully used for formation of FRCs since their inception in 1958. In this method an initial bias field is produced. After ionization of the fill gas, the current in the coil is rapidly reversed producing the radial implosion of a current sheath. At the ends of the coil the reversed field lines rapidly tear and reconnect with the bias field lines until no more bias flux remains. At this point, vacuum reversed field accumulates around the configuration which contracts axially until an equilibrium is reached. When extrapolating the use of such a technique to reactor size plasmas two main shortcomings are found. First, the initial bias field, and hence flux in a given device, which can be reconnected to form the configuration is limited from above by destructive axial dynamics. Second, the voltages required to produce rapid current reversal in the coil are very large. Clearly, a low voltage formation technique without limitations on flux addition is desirable. The Coaxial Slow Source (CSS) device was designed to meet this need. It has two coaxial theta pinch coils. Coaxial coil geometry allows for the addition of as much magnetic flux to the annular plasma between them as can be generated inside the inner coil. Furthermore the device can be operated at charging voltages less than 10 kV and on resistive diffusion, rather than implosive time scales. The inner coil is a novel, concentric, helical design so as to allow it to be cantilevered on one end to permit translation of the plasma. Following translation off the inner coil the Annular Field Reversed Configuration would be re-formed as a true FRC. In this paper we investigate the formation process in the new parallel configuration., CSSP, in which the inner and outer coils are connected in parallel to the main capacitor bank

  2. Hydrogen Tunneling in Enzymes and Biomimetic Models

    Energy Technology Data Exchange (ETDEWEB)

    Layfield, Joshua P.; Hammes-Schiffer, Sharon

    2014-04-09

    Hydrogen transfer reactions play an important role throughout chemistry and biology. In general, hydrogen transfer reactions encompass proton and hydride transfer, which are associated with the transfer of a positively or negatively charged species, respectively, and proton-coupled electron transfer (PCET), which corresponds to the net transfer of one electron and one proton in the simplest case. Such PCET reactions can occur by either a sequential mechanism, in which the proton or electron transfers first, or a concerted mechanism, in which the electron and proton transfer in a single kinetic step with no stable intermediate. Furthermore, concerted PCET reactions can be subdivided into hydrogen atom transfer (HAT), which corresponds to the transfer of an electron and proton between the same donor and acceptor (i.e., the transfer of a predominantly neutral species), and electron-proton transfer (EPT), which corresponds to the transfer of an electron and proton between different donors and acceptors, possibly even in different directions. In all of these types of hydrogen transfer reactions, hydrogen tunneling could potentially play a significant role. The biomimetic portion was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences.

  3. Hydrogen Tunneling in Enzymes and Biomimetic Models

    Energy Technology Data Exchange (ETDEWEB)

    Layfield, Joshua P.; Hammes-Schiffer, Sharon

    2013-12-20

    Hydrogen transfer reactions play an important role throughout chemistry and biology. In general, hydrogen transfer reactions encompass proton and hydride transfer, which are associated with the transfer of a positively or negatively charged species, respectively, and proton-coupled electron transfer (PCET), which corresponds to the net transfer of one electron and one proton in the simplest case. Such PCET reactions can occur by either a sequential mechanism, in which the proton or electron transfers first, or a concerted mechanism, in which the electron and proton transfer in a single kinetic step with no stable intermediate. Furthermore, concerted PCET reactions can be subdivided into hydrogen atom transfer (HAT), which corresponds to the transfer of an electron and proton between the same donor and acceptor (i.e., the transfer of a predominantly neutral species), and electron-proton transfer (EPT), which corresponds to the transfer of an electron and proton between different donors and acceptors, possibly even in different directions. In all of these types of hydrogen transfer reactions, hydrogen tunneling could potentially play a signficant role. The theoretical development portion of this Review was supported by the National Science Foundation under CHE-10-57875. The biological portion of this Review was funded by NIH Grant No. GM056207. The biomimetic portion was supported as part of the Center for Molecular Electro-catalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences.

  4. The liquid hydrogen cell in the EL3 Saclay reactor; Cellule a hydrogene liquide dans la pile EL3 de Saclay

    Energy Technology Data Exchange (ETDEWEB)

    Jacrot, B; Lacaze, A; Weil, L [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires; [Grenoble-1 Univ., 38 (France)

    1960-07-01

    Description and results in connection with the liquid hydrogen cell, for obtaining slow neutrons, in the EL3. (author) [French] Description et resultats concernant la cellule a hydrogene liquide de EL3 utilisee pour obtenir des neutrons lents. (auteur)

  5. Reflection of slow hydrogen and helium ions from solid surfaces

    International Nuclear Information System (INIS)

    Akkerman, A.F.

    1978-01-01

    Some characteristics of the proton and helium ion flux (E < 10 keV), reflected from solid surfaces are presented. A 'condensed walk' scheme, previously used for electron transport calculations, was adapted. Results obtained either by the scheme or by a more detailed 'consequent' scheme agreed closely. The presented data permit calculations of the mean energy of reflected particles and other values for various energy and angular distributions of incident particles. (author)

  6. The rate of second electron transfer to QB(-) in bacterial reaction center of impaired proton delivery shows hydrogen-isotope effect.

    Science.gov (United States)

    Maróti, Ágnes; Wraight, Colin A; Maróti, Péter

    2015-02-01

    The 2nd electron transfer in reaction center of photosynthetic bacterium Rhodobacter sphaeroides is a two step process in which protonation of QB(-) precedes interquinone electron transfer. The thermal activation and pH dependence of the overall rate constants of different RC variants were measured and compared in solvents of water (H2O) and heavy water (D2O). The electron transfer variants where the electron transfer is rate limiting (wild type and M17DN, L210DN and H173EQ mutants) do not show solvent isotope effect and the significant decrease of the rate constant of the second electron transfer in these mutants is due to lowering the operational pKa of QB(-)/QBH: 4.5 (native), 3.9 (L210DN), 3.7 (M17DN) and 3.1 (H173EQ) at pH7. On the other hand, the proton transfer variants where the proton transfer is rate limiting demonstrate solvent isotope effect of pH-independent moderate magnitude (2.11±0.26 (WT+Ni(2+)), 2.16±0.35 (WT+Cd(2+)) and 2.34±0.44 (L210DN/M17DN)) or pH-dependent large magnitude (5.7 at pH4 (L213DN)). Upon deuteration, the free energy and the enthalpy of activation increase in all proton transfer variants by about 1 kcal/mol and the entropy of activation becomes negligible in L210DN/M17DN mutant. The results are interpreted as manifestation of equilibrium and kinetic solvent isotope effects and the structural, energetic and kinetic possibility of alternate proton delivery pathways are discussed. Copyright © 2014 Elsevier B.V. All rights reserved.

  7. 41 CFR 50-204.68 - Hydrogen.

    Science.gov (United States)

    2010-07-01

    ... 41 Public Contracts and Property Management 1 2010-07-01 2010-07-01 true Hydrogen. 50-204.68..., Vapors, Fumes, Dusts, and Mists § 50-204.68 Hydrogen. The in-plant transfer, handling, storage, and utilization of hydrogen shall be in accordance with Compressed Gas Association Pamphlets G-5.1-1961 and G-5.2...

  8. Slow Tourism: Exploring the discourses

    Directory of Open Access Journals (Sweden)

    J. Guiver

    2016-05-01

    Full Text Available ‘Slow travel’ and ‘slow tourism’ are relatively new, but contested, concepts. This paper examines the meanings ascribed to them in the academic literature and websites targeted at potential tourists. It finds concurrence on aspects of savouring time at the destination and investing time to appreciate the locality, its people, history, culture and products, but detects different emphases. The academic literature stresses the benefits to the destination and global sustainability, while the websites focus on the personal benefits and ways of becoming a ‘slow tourist’. Food and drink epitomise the immersion in and absorption of the destination and the multi-dimensional tourism experience, contrasted with the superficiality of mainstream tourism. The paper discusses whether tourists practising slow tourism without using the label are slow tourists or not.

  9. Hydrogen detector

    International Nuclear Information System (INIS)

    Kumagaya, Hiromichi; Yoshida, Kazuo; Sanada, Kazuo; Chigira, Sadao.

    1994-01-01

    The present invention concerns a hydrogen detector for detecting water-sodium reaction. The hydrogen detector comprises a sensor portion having coiled optical fibers and detects hydrogen on the basis of the increase of light transmission loss upon hydrogen absorption. In the hydrogen detector, optical fibers are wound around and welded to the outer circumference of a quartz rod, as well as the thickness of the clad layer of the optical fiber is reduced by etching. With such procedures, size of the hydrogen detecting sensor portion can be decreased easily. Further, since it can be used at high temperature, diffusion rate is improved to shorten the detection time. (N.H.)

  10. Probing the Conformational and Functional Consequences of Disulfide Bond Engineering in Growth Hormone by Hydrogen-Deuterium Exchange Mass Spectrometry Coupled to Electron Transfer Dissociation

    DEFF Research Database (Denmark)

    Seger, Signe T; Breinholt, Jens; Faber, Johan H

    2015-01-01

    Human growth hormone (hGH), and its receptor interaction, is essential for cell growth. To stabilize a flexible loop between helices 3 and 4, while retaining affinity for the hGH receptor, we have engineered a new hGH variant (Q84C/Y143C). Here, we employ hydrogen-deuterium exchange mass spectrom......Human growth hormone (hGH), and its receptor interaction, is essential for cell growth. To stabilize a flexible loop between helices 3 and 4, while retaining affinity for the hGH receptor, we have engineered a new hGH variant (Q84C/Y143C). Here, we employ hydrogen-deuterium exchange mass...

  11. Palladium nanoparticles supported on fibrous-structured silica nanospheres (KCC-1): An efficient and selective catalyst for the transfer hydrogenation of alkenes

    KAUST Repository

    Qureshi, Ziyauddin; Sarawade, Pradip; Albert, Matthias; D'Elia, Valerio; Hedhili, Mohamed Nejib; Kö hler, Klaus; Basset, Jean-Marie

    2015-01-01

    An efficient palladium catalyst supported on fibrous silica nanospheres (KCC-1) has been developed for the hydrogenation of alkenes and α,β-unsaturated carbonyl compounds, providing excellent yields of the corresponding products with remarkable chemoselectivity. Comparison (high-resolution TEM, chemisorption) with analogous mesoporous (MCM-41, SBA-15) silica-supported Pd nanocatalysts prepared under identical conditions, demonstrates the advantage of employing the fibrous KCC-1 morphology versus traditional supports because it ensures superior accessibility of the catalytically active cores along with excellent Pd dispersion at high metal loading. This morphology ultimately leads to higher catalytic activity for the KCC-1-supported nanoparticles. The protocol developed for hydrogenation is advantageous and environmentally benign owing to the use of HCOOH as a source of hydrogen, water as a solvent, and because of efficient catalyst recyclability and durability. The recycled catalyst has been analyzed by XPS spectroscopy and TEM showing only minor changes in the oxidation state of Pd and in the morphology after the reaction, thus confirming the robustness of the catalyst.

  12. Palladium nanoparticles supported on fibrous-structured silica nanospheres (KCC-1): An efficient and selective catalyst for the transfer hydrogenation of alkenes

    KAUST Repository

    Qureshi, Ziyauddin

    2015-01-09

    An efficient palladium catalyst supported on fibrous silica nanospheres (KCC-1) has been developed for the hydrogenation of alkenes and α,β-unsaturated carbonyl compounds, providing excellent yields of the corresponding products with remarkable chemoselectivity. Comparison (high-resolution TEM, chemisorption) with analogous mesoporous (MCM-41, SBA-15) silica-supported Pd nanocatalysts prepared under identical conditions, demonstrates the advantage of employing the fibrous KCC-1 morphology versus traditional supports because it ensures superior accessibility of the catalytically active cores along with excellent Pd dispersion at high metal loading. This morphology ultimately leads to higher catalytic activity for the KCC-1-supported nanoparticles. The protocol developed for hydrogenation is advantageous and environmentally benign owing to the use of HCOOH as a source of hydrogen, water as a solvent, and because of efficient catalyst recyclability and durability. The recycled catalyst has been analyzed by XPS spectroscopy and TEM showing only minor changes in the oxidation state of Pd and in the morphology after the reaction, thus confirming the robustness of the catalyst.

  13. Quasi-elastic neutron scattering studies of the slow dynamics of supercooled and glassy aspirin

    International Nuclear Information System (INIS)

    Zhang Yang; Mamontov, Eugene; Tyagi, Madhusudan; Chen, Sow-Hsin

    2012-01-01

    Aspirin, also known as acetylsalicylic acid (ASA), is not only a wonderful drug, but also a good glass former. Therefore, it serves as an important molecular system to study the near-arrest and arrested phenomena. In this paper, a high-resolution quasi-elastic neutron scattering (QENS) technique is used to investigate the slow dynamics of supercooled liquid and glassy aspirin from 410 down to 350 K. The measured QENS spectra can be analyzed with a stretched exponential model. We find that (i) the stretched exponent β(Q) is independent of the wavevector transfer Q in the measured Q range and (ii) the structural relaxation time τ(Q) follows a power-law dependence on Q. Consequently, the Q-independent structural relaxation time τ 0 can be extracted for each temperature to characterize the slow dynamics of aspirin. The temperature dependence of τ 0 can be fitted with the mode-coupling power law, the Vogel-Fulcher-Tammann equation and a universal equation for fragile glass forming liquids recently proposed by Tokuyama in the measured temperature range. The calculated dynamic response function χ T (Q, t) using the experimentally determined self-intermediate scattering function of the hydrogen atoms of aspirin shows direct evidence of the enhanced dynamic fluctuations as the aspirin is increasingly supercooled, in agreement with the fixed-time mean squared displacement (x 2 ) and the non-Gaussian parameter α 2 extracted from the elastic scattering.

  14. Quasi-Elastic Neutron Scattering Studies of the Slow Dynamics of Supercooled and Glassy Aspirin

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yang [ORNL; Tyagi, M. [NCNR and University of Maryland; Mamontov, Eugene [ORNL; Chen, Sow-hsin H [ORNL

    2011-01-01

    Aspirin, also known as acetylsalicylic acid (ASA), is not only a wonderful drug, but also a good glass former. Therefore, it serves as an important molecular system to study the near-arrest and arrested phenomena. In this paper, a high-resolution quasi-elastic neutron scattering (QENS) technique is used to investigate the slow dynamics of supercooled liquid and glassy aspirin from 410 K down to 350 K. The measured QENS spectra can be analyzed with a stretched exponential model. We find that (i) the stretched exponent (Q) is independent of the wave vector transfer Q in the measured Q-range, and (ii) the structural relaxation time (Q) follows a power law dependence on Q. Consequently, the Q-independent structural relaxation time 0 can be extracted for each temperature to characterize the slow dynamics of aspirin. The temperature dependence of 0 can be fitted with the mode coupling power law, the Vogel-Fulcher-Tammann equation and a universal equation for fragile glass forming liquids recently proposed by M. Tokuyama in the measured temperature range. The calculated dynamic response function T(Q,t) using the experimentally determined self-intermediate scattering function of the hydrogen atoms of aspirin shows a direct evidence of the enhanced dynamic fluctuations as the aspirin is increasingly supercooled, in agreement with the fixed-time mean squared displacement x2 and non-Gaussian parameter 2 extracted from the elastic scattering.

  15. Quasi-elastic neutron scattering studies of the slow dynamics of supercooled and glassy aspirin

    Science.gov (United States)

    Zhang, Yang; Tyagi, Madhusudan; Mamontov, Eugene; Chen, Sow-Hsin

    2012-02-01

    Aspirin, also known as acetylsalicylic acid (ASA), is not only a wonderful drug, but also a good glass former. Therefore, it serves as an important molecular system to study the near-arrest and arrested phenomena. In this paper, a high-resolution quasi-elastic neutron scattering (QENS) technique is used to investigate the slow dynamics of supercooled liquid and glassy aspirin from 410 down to 350 K. The measured QENS spectra can be analyzed with a stretched exponential model. We find that (i) the stretched exponent β(Q) is independent of the wavevector transfer Q in the measured Q range and (ii) the structural relaxation time τ(Q) follows a power-law dependence on Q. Consequently, the Q-independent structural relaxation time τ0 can be extracted for each temperature to characterize the slow dynamics of aspirin. The temperature dependence of τ0 can be fitted with the mode-coupling power law, the Vogel-Fulcher-Tammann equation and a universal equation for fragile glass forming liquids recently proposed by Tokuyama in the measured temperature range. The calculated dynamic response function χT(Q, t) using the experimentally determined self-intermediate scattering function of the hydrogen atoms of aspirin shows direct evidence of the enhanced dynamic fluctuations as the aspirin is increasingly supercooled, in agreement with the fixed-time mean squared displacement langx2rang and the non-Gaussian parameter α2 extracted from the elastic scattering.

  16. TD-DFT investigation of the potential energy surface for Excited-State Intramolecular Proton Transfer (ESIPT) reaction of 10-hydroxybenzo[h]quinoline: Topological (AIM) and population (NBO) analysis of the intramolecular hydrogen bonding interaction

    International Nuclear Information System (INIS)

    Paul, Bijan Kumar; Guchhait, Nikhil

    2011-01-01

    Here, we report a Density Functional Theoretical (DFT) study on the photophysics of a potent Excited-State Intramolecular Proton Transfer (ESIPT) molecular system, viz., 10-hydroxybenzo[h]quinoline (HBQ). Particular emphasis has been rendered on the assessment of the proton transfer reaction in HBQ in the ground and excited-states through elucidation and a careful perusal of the potential energy surfaces (PES). The non-viability of Ground-State Intramolecular Proton Transfer (GSIPT) process is dictated by a high-energy barrier coupled with no energy minimum for the proton transferred (K-form) form at the ground-state (S 0 ) PES. Remarkable reduction of the barrier along with thermodynamic stability inversion between the enol (E-form) and the keto forms (K-form) of HBQ upon photoexcitation from S 0 to the S 1 -state advocate for the operation of ESIPT process. These findings have been cross-validated on the lexicon of analysis of optimized geometry parameters, Mulliken's charge distribution on the heavy atoms, and molecular orbitals (MO) of the E- and the K-forms of HBQ. Our computational results also corroborate to experimental observations. From the modulations in optimized geometry parameters in course of the PT process a critical assessment has been endeavoured to delve into the movement of the proton during the process. Additional stress has been placed on the analysis of the intramolecular hydrogen bonding (IMHB) interaction in HBQ. The IMHB interaction has been explored by calculation of electron density ρ(r) and the Laplacian ∇ 2 ρ(r) at the bond critical point (BCP) using Atoms-In-Molecule (AIM) method and by calculation of interaction between σ* of OH with the lone pair of the nitrogen atom using Natural Bond Orbital (NBO) analysis. - Highlights: → Theoretical modelling of the photophysics of an ESIPT probe 10-hydroxybenzo[h]quinoline (HBQ). → Calculation of intramolecular hydrogen bond (IMHB) energy. → Role of hyperconjugative charge transfer

  17. 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

  18. Numerical study of hydrogen absorption in a LM-Ni5 hybride reactor

    International Nuclear Information System (INIS)

    Altinisik, K.; Tekin, M.; Mat, M. D.; Altinisik, A.; Veziroglu, T. N.

    2007-01-01

    Metal hydride formation in an Lm-Ni5 storage tank is numerically studied with a continuum mathematical model. The model considers complex heat, and mass transfer and chemical reaction in the reaction bed. It is found that hydride formation enhances at regions with lower equilibrium pressure. Absorbed hydrogen mass increases exponentially at earlier times of hydriding process and slow down after temperature of reaction bed increases due to the heat of reaction. Numerical results agree satisfactorily with the experimental data in the literature

  19. Comments on liquid hydrogen absorbers for MICE

    International Nuclear Information System (INIS)

    Green, Michael A.

    2003-01-01

    This report describes the heat transfer problems associated with a liquid hydrogen absorber for the MICE experiment. This report describes a technique for modeling heat transfer from the outside world, to the absorber case and in its vacuum vessel, to the hydrogen and then into helium gas at 14 K. Also presented are the equation for free convection cooling of the liquid hydrogen in the absorber

  20. Telemedicine: the slow revolution.

    Science.gov (United States)

    Moncrief, Jack W

    2014-01-01

    The use of interactive video has been recognized as a means of delivering medical support to isolated areas since the 1950s. The Department of Defense recognized early the capacity of telemedicine to deliver medical care and support to front-line military personnel. In 1989, the Texas Telemedicine Project received grants and support from the then American Telephone and Telegraph Company (now AT&T) and the Meadows Foundation of Dallas, Texas, to establish and evaluate telemedicine delivery in central Texas. That project had 6 connected telemedicine sites: 3 in Austin, Texas, and 3 in Giddings, Texas (a small community 55 miles to the southeast of Austin). The sites in Giddings included a chronic outpatient dialysis facility, an inpatient psychiatric hospital, and the emergency department at Giddings Hospital. Patient contact began in April 1991 and continued through March 1993. During that period, data on the 1500 patient contacts made were recorded. After termination of the Texas Telemedicine Project, AT&T continued to provide the transmission lines, and between 1993 and 1996, another 12,000 patient contacts were made. Approximately 80% were dialysis evaluations and 20% were non-dialysis primary care contacts. The original cost of materials and equipment in the Texas Telemedicine Project exceeded $50,000 per site. Today, a secure Internet connection with full-motion video and wireless data transfer to almost any location in the world is achievable with an iPad. Multiple inexpensive applications with connections for electrocardiogram, otoscope, and stethoscope, among others, make this technology extremely inexpensive and user-friendly. The revolution now is rapidly moving forward, with Medicare reimbursing telemedicine contacts in medically underserved areas. Multiple bills are before Congress to expand Medicare and therefore private insurance payment for this service.

  1. Proton transfer in a short hydrogen bond caused by solvation shell fluctuations: an ab initio MD and NMR/UV study of an (OHO)(-) bonded system.

    Science.gov (United States)

    Pylaeva, Svetlana; Allolio, Christoph; Koeppe, Benjamin; Denisov, Gleb S; Limbach, Hans-Heinrich; Sebastiani, Daniel; Tolstoy, Peter M

    2015-02-14

    We present a joint experimental and quantum chemical study on the influence of solvent dynamics on the protonation equilibrium in a strongly hydrogen bonded phenol-acetate complex in CD2Cl2. Particular attention is given to the correlation of the proton position distribution with the internal conformation of the complex itself and with fluctuations of the aprotic solvent. Specifically, we have focused on a complex formed by 4-nitrophenol and tetraalkylammonium-acetate in CD2Cl2. Experimentally we have used combined low-temperature (1)H and (13)C NMR and UV-vis spectroscopy and showed that a very strong OHO hydrogen bond is formed with proton tautomerism (PhOH···(-)OAc and PhO(-)···HOAc forms, both strongly hydrogen bonded). Computationally, we have employed ab initio molecular dynamics (70 and 71 solvent molecules, with and without the presence of a counter-cation, respectively). We demonstrate that the relative motion of the counter-cation and the "free" carbonyl group of the acid plays the major role in the OHO bond geometry and causes proton "jumps", i.e. interconversion of PhOH···(-)OAc and PhO(-)···HOAc tautomers. Weak H-bonds between CH(CD) groups of the solvent and the oxygen atom of carbonyl stabilize the PhOH···(-)OAc type of structures. Breaking of CH···O bonds shifts the equilibrium towards PhO(-)···HOAc form.

  2. Unusual Intramolecular Hydrogen Transfer in 3,5-Di(triphenylethylenyl) BODIPY Synthesis and 1,2-Migratory Shift in Subsequent Scholl Type Reaction

    KAUST Repository

    Chua, Ming Hui; Huang, Kuo-Wei; Xu, Jianwei; Wu, Jishan

    2015-01-01

    The straightforward synthesis of 3,5-di(triphenylethylenyl) BODIPYs 1–3 from the condensation of 2-(triphenylethylenyl) pyrrole with aryl aldehydes are surprisingly found to produce side products that are hydrogenated at one of the two triphenylethylene substituents. It was also observed that the subsequent Scholl type reaction of 1 resulted in a “1,2-migratory shift” of one triphenylethylene substituent in addition to a ring closing reaction. Preliminary investigations, including DFT calculations and isolation of intermediates, were conducted to study these unusual observations on BODIPY chemistry.

  3. Unusual Intramolecular Hydrogen Transfer in 3,5-Di(triphenylethylenyl) BODIPY Synthesis and 1,2-Migratory Shift in Subsequent Scholl Type Reaction

    KAUST Repository

    Chua, Ming Hui

    2015-08-17

    The straightforward synthesis of 3,5-di(triphenylethylenyl) BODIPYs 1–3 from the condensation of 2-(triphenylethylenyl) pyrrole with aryl aldehydes are surprisingly found to produce side products that are hydrogenated at one of the two triphenylethylene substituents. It was also observed that the subsequent Scholl type reaction of 1 resulted in a “1,2-migratory shift” of one triphenylethylene substituent in addition to a ring closing reaction. Preliminary investigations, including DFT calculations and isolation of intermediates, were conducted to study these unusual observations on BODIPY chemistry.

  4. Slow, Wet and Catalytic Pyrolysis of Fowl Manure

    OpenAIRE

    Renzo Carta; Mario Cruccu; Francesco Desogus

    2012-01-01

    This work presents the experimental results obtained at a pilot plant which works with a slow, wet and catalytic pyrolysis process of dry fowl manure. This kind of process mainly consists in the cracking of the organic matrix and in the following reaction of carbon with water, which is either already contained in the organic feed or added, to produce carbon monoxide and hydrogen. Reactions are conducted in a rotating reactor maintained at a temperature of 500°C; the requi...

  5. Boron-Based Hydrogen Storage: Ternary Borides and Beyond

    Energy Technology Data Exchange (ETDEWEB)

    Vajo, John J. [HRL Laboratories, LLC, Malibu, CA (United States)

    2016-04-28

    DOE continues to seek reversible solid-state hydrogen materials with hydrogen densities of ≥11 wt% and ≥80 g/L that can deliver hydrogen and be recharged at moderate temperatures (≤100 °C) and pressures (≤100 bar) enabling incorporation into hydrogen storage systems suitable for transportation applications. Boron-based hydrogen storage materials have the potential to meet the density requirements given boron’s low atomic weight, high chemical valance, and versatile chemistry. However, the rates of hydrogen exchange in boron-based compounds are thus far much too slow for practical applications. Although contributing to the high hydrogen densities, the high valance of boron also leads to slow rates of hydrogen exchange due to extensive boron-boron atom rearrangements during hydrogen cycling. This rearrangement often leads to multiple solid phases occurring over hydrogen release and recharge cycles. These phases must nucleate and react with each other across solid-solid phase boundaries leading to energy barriers that slow the rates of hydrogen exchange. This project sought to overcome the slow rates of hydrogen exchange in boron-based hydrogen storage materials by minimizing the number of solid phases and the boron atom rearrangement over a hydrogen release and recharge cycle. Two novel approaches were explored: 1) developing matched pairs of ternary borides and mixed-metal borohydrides that could exchange hydrogen with only one hydrogenated phase (the mixed-metal borohydride) and only one dehydrogenated phase (the ternary boride); and 2) developing boranes that could release hydrogen by being lithiated using lithium hydride with no boron-boron atom rearrangement.

  6. 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

  7. Slow light in moving media

    Science.gov (United States)

    Leonhardt, U.; Piwnicki, P.

    2001-06-01

    We review the theory of light propagation in moving media with extremely low group velocity. We intend to clarify the most elementary features of monochromatic slow light in a moving medium and, whenever possible, to give an instructive simplified picture.

  8. Birth control - slow release methods

    Science.gov (United States)

    Contraception - slow-release hormonal methods; Progestin implants; Progestin injections; Skin patch; Vaginal ring ... might want to consider a different birth control method. SKIN PATCH The skin patch is placed on ...

  9. Excited-state intramolecular hydrogen transfer (ESIHT) of 1,8-Dihydroxy-9,10-anthraquinone (DHAQ) characterized by ultrafast electronic and vibrational spectroscopy and computational modeling

    KAUST Repository

    Mohammed, Omar F.; Xiao, Dequan; Batista, Victor S.; Nibbering, Erik Theodorus Johannes

    2014-01-01

    of femtosecond UV/vis and UV/IR pump-probe spectroscopic data. Upon photoabsorption at 400 nm, the S 2 electronic excited state is initially populated, followed by a rapid equilibration within 150 fs through population transfer to the S 1 state where DHAQ

  10. Three-dimensional Radiative Transfer Simulations of the Scattering Polarization of the Hydrogen Lyalpha Line in a Magnetohydrodynamic Model of the Chromosphere-Corona Transition Region

    Czech Academy of Sciences Publication Activity Database

    Štěpán, Jiří; Trujillo Bueno, J.; Leenaarts, J.; Carlsson, M.

    2015-01-01

    Roč. 803, č. 2 (2015), 65/1-65/15 ISSN 0004-637X R&D Projects: GA ČR GPP209/12/P741 Grant - others:EU(XE) COST action MP1104 Institutional support: RVO:67985815 Keywords : polarization * radiative transfer * scattering Subject RIV: BN - Astronomy, Celestial Mechanics, Astrophysics Impact factor: 5.909, year: 2015

  11. Hydrogen bonded supramolecular materials

    CERN Document Server

    Li, Zhan-Ting

    2015-01-01

    This book is an up-to-date text covering topics in utilizing hydrogen bonding for constructing functional architectures and supramolecular materials. The first chapter addresses the control of photo-induced electron and energy transfer. The second chapter summarizes the formation of nano-porous materials. The following two chapters introduce self-assembled gels, many of which exhibit unique functions. Other chapters cover the advances in supramolecular liquid crystals and the versatility of hydrogen bonding in tuning/improving the properties and performance of materials. This book is designed

  12. Slow rupture of frictional interfaces

    OpenAIRE

    Sinai, Yohai Bar; Brener, Efim A.; Bouchbinder, Eran

    2011-01-01

    The failure of frictional interfaces and the spatiotemporal structures that accompany it are central to a wide range of geophysical, physical and engineering systems. Recent geophysical and laboratory observations indicated that interfacial failure can be mediated by slow slip rupture phenomena which are distinct from ordinary, earthquake-like, fast rupture. These discoveries have influenced the way we think about frictional motion, yet the nature and properties of slow rupture are not comple...

  13. Matrix effect on hydrogen-atom tunneling of organic molecules in cryogenic solids

    International Nuclear Information System (INIS)

    Ichikawa, Tsuneki

    2000-01-01

    Although the tunneling of atoms through potential energy barriers separating the reactant and reaction systems is not paid much attention in organic reactions, this plays an important role in reactions including the transfer of light atoms. Atomic tunneling is especially important for chemical reactions at low temperatures, since the thermal activation of reactant systems is very slow process in comparison with the tunneling. One of the typical reactions of atomic tunneling is hydrogen-atom abstraction from alkanes in cryogenic solids exposed to high-energy radiation. Irradiation of alkane molecules causes the homolytic cleavage of C-H bonds, which results in the pairwise formation of free hydrogen atoms and organic free radicals. Since the activation energies for the abstraction of hydrogen atoms from alkane molecules by free hydrogen atoms are higher than 5 kcal/mol, the lifetime of free hydrogen atoms at 77 K is estimated from the Arrhenius equation of k=vexp(-E a /RT) to be longer than 10 hrs. However, except for solid methane, free hydrogen atoms immediately convert to alkyl radicals even at 4.2 K by hydrogen-atom tunneling from alkane molecules to the free hydrogen atoms. The rate of hydrogen atom tunneling does not necessary increase with decreasing activation energy or the peak height of the potential energy barrier preventing the tunneling. Although the activation energy is the lowest at the tertiary carbon of alkanes, hydrogen atom tunneling from branched alkanes with tertiary carbon at the antepenultimate position of the carbon skeleton is the fastest at the secondary penultimate carbon. Based on our experimental results, we have proposed that the peculiarity of the hydrogen-atom abstraction in cryogenic solids comes from the steric hindrance by matrix molecules to the deformation of alkane molecules from the initial sp 3 to the final sp 2 configurations. The steric hindrance causes the increase of the height of the potential energy barrier for the

  14. Solid phase characterization and gas transfers through unsaturated porous media: experimental study and modeling applied diffusion of hydrogen through cement-based materials

    International Nuclear Information System (INIS)

    Vu, T.H.

    2009-10-01

    This thesis documents the relationship between the porous microstructure of cement based materials and theirs gaseous diffusivity properties relative to the aqueous phase location and the global saturation level of the material. The materials studied are cement pastes and mortars. To meet the thesis objective, the materials are characterized in detail by means of several experimental methods: mercury intrusion porosimetry, water porosimetry, thermo-poro-metry, nitrogen sorption and water desorption. In addition, diffusion tests realized on materials maintained in controlled humidity chambers allow obtaining the effective hydrogen diffusivity as function of the microstructure and the saturation state of material with a gas chromatography. The experimental results are then used as a data base that is compared to a modeling approach. The model developed consists of a combination of ordinary diffusion (Fick regime) and Knudsen diffusion of hydrogen. The model also accounts for the effects of the liquid curtains, the impact of tortuosity on gas diffusion, and the saturation level of the porous system. (author)

  15. 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.

  16. 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

  17. Z-H Bond Activation in (Di)hydrogen Bonding as a Way to Proton/Hydride Transfer and H2 Evolution.

    Science.gov (United States)

    Belkova, Natalia V; Filippov, Oleg A; Shubina, Elena S

    2018-02-01

    The ability of neutral transition-metal hydrides to serve as a source of hydride ion H - or proton H + is well appreciated. The hydride ligands possessing a partly negative charge are proton accepting sites, forming a dihydrogen bond, M-H δ- ⋅⋅⋅ δ+ HX (M=transition metal or metalloid). On the other hand, some metal hydrides are able to serve as a proton source and give hydrogen bond of M-H δ+ ⋅⋅⋅X type (X=organic base). In this paper we analyse recent works on transition-metal and boron hydrides showing i) how formation of an intermolecular complex between the reactants changes the Z-H (M-H and X-H) bond polarity and ii) what is the implication of such activation in the mechanisms of hydrides reactions. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Hydrogen-deuterium exchange of the anionic group 6B transition-metal hydrides. Convenient, in-situ-deuterium transfer reagents

    International Nuclear Information System (INIS)

    Gaus, P.L.; Kao, S.C.; Darensbourg, M.Y.; Arndt, L.W.

    1984-01-01

    The facile exchange of hydrogen for detuerium in the anionic group 6B carbonyl hydrides HM(CO) 4 L - (M = Cr, W; L = CO P(OMe) 3 ) has been studied in THF 4 (tetrahydrofuran) with CH 3 OD, D 2 O, and CH 3 CO 2 D. This has provided a synthesis of the deuterides, DM(CO) 4 L - , as well as a convenient in situ source of deuteride reducing reagents for organic halides. A number of such reductions are described, using 2 H NMR to demonstrate both selectivity and stereospecificity for certain systems. The carbonyl region of the infrared spectra of the hydrides is not affected by deuteration of the hydrides, suggesting that the M-H or M-D vibrational modes are not coupled significantly to CO vibrations in these hydrides. The mechanism of the H/D exchange and of a related H 2 elimination reaction is discussed

  19. The Potential of/for 'Slow': Slow Tourists and Slow Destinations

    Directory of Open Access Journals (Sweden)

    J. Guiver

    2016-05-01

    Full Text Available Slow tourism practices are nothing new; in fact, they were once the norm and still are for millions of people whose annual holiday is spent camping, staying in caravans, rented accommodation, with friends and relations or perhaps in a second home, who immerse themselves in their holiday environment, eat local food, drink local wine and walk or cycle around the area. So why a special edition about slow tourism? Like many aspects of life once considered normal (such as organic farming or free-range eggs, the emergence of new practices has highlighted differences and prompted a re-evaluation of once accepted practices and values. In this way, the concept of ‘slow tourism’ has recently appeared as a type of tourism that contrasts with many contemporary mainstream tourism practices. It has also been associated with similar trends already ‘branded’ slow: slow food and cittaslow (slow towns and concepts such as mindfulness, savouring and well-being.

  20. Slow, stopped and stored light

    International Nuclear Information System (INIS)

    Welch, G.; Scully, M.

    2005-01-01

    Light that can been slowed to walking pace could have applications in telecommunications, optical storage and quantum computing. Whether we use it to estimate how far away a thunderstorm is, or simply take it for granted that we can have a conversation with someone on the other side of the world, we all know that light travels extremely fast. Indeed, special relativity teaches us that nothing in the universe can ever move faster than the speed of light in a vacuum: 299 792 458 ms sup - sup 1. However, there is no such limitation on how slowly light can travel. For the last few years, researchers have been routinely slowing light to just a few metres per second, and have recently even stopped it dead in its tracks so that it can be stored for future use. Slow-light has considerable popular appeal, deriving perhaps from the importance of the speed of light in relativity and cosmology. If everyday objects such as cars or people can travel faster than 'slow' light, for example, then it might appear that relativistic effects could be observed at very low speeds. Although this is not the case, slow light nonetheless promises to play an important role in optical technology because it allows light to be delayed for any period of time desired. This could lead to all-optical routers that would increase the bandwidth of the Internet, and applications in optical data storage, quantum information and even radar. (U.K.)

  1. Slow rupture of frictional interfaces

    Science.gov (United States)

    Bar Sinai, Yohai; Brener, Efim A.; Bouchbinder, Eran

    2012-02-01

    The failure of frictional interfaces and the spatiotemporal structures that accompany it are central to a wide range of geophysical, physical and engineering systems. Recent geophysical and laboratory observations indicated that interfacial failure can be mediated by slow slip rupture phenomena which are distinct from ordinary, earthquake-like, fast rupture. These discoveries have influenced the way we think about frictional motion, yet the nature and properties of slow rupture are not completely understood. We show that slow rupture is an intrinsic and robust property of simple non-monotonic rate-and-state friction laws. It is associated with a new velocity scale cmin, determined by the friction law, below which steady state rupture cannot propagate. We further show that rupture can occur in a continuum of states, spanning a wide range of velocities from cmin to elastic wave-speeds, and predict different properties for slow rupture and ordinary fast rupture. Our results are qualitatively consistent with recent high-resolution laboratory experiments and may provide a theoretical framework for understanding slow rupture phenomena along frictional interfaces.

  2. 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)

  3. A 1.5--4 Kelvin detachable cold-sample transfer system: Application to inertially confined fusion with spin-polarized hydrogens fuels

    International Nuclear Information System (INIS)

    Alexander, N.; Barden, J.; Fan, Q.; Honig, A.

    1990-01-01

    A compact cold-transfer apparatus for engaging and retrieving samples at liquid helium temperatures (1.5--4K), maintaining the samples at such temperatures for periods of hours, and subsequently inserting them in diverse apparatuses followed by disengagement, is described. The properties of several thermal radiation-insulating shrouds, necessary for very low sample temperatures, are presented. The immediate intended application is transportable target-shells containing highly spin-polarized deuterons in solid HD or D 2 for inertially confined fusion (ICF) experiments. The system is also valuable for unpolarized high-density fusion fuels, as well as for other applications which are discussed. 9 refs., 6 figs

  4. Late-type components of slow novae and symbiotic stars

    Energy Technology Data Exchange (ETDEWEB)

    Allen, D A [Anglo-Australian Observatory, Epping (Australia); Royal Observatory, Edinburgh (UK))

    1980-08-01

    It is argued that the various types of symbiotic stars and the slow novae are the same phenomena exhibiting a range of associated time-scales, the slow novae being of intermediate speed. Evidence is summarized showing that both types of object contain normal M giants or mira variables. This fact is at odds with currently fashionable single-star models for slow novae, according to which the M star is totally disrupted before the outburst. Spectral types of the late-type components are presented for nearly 80 symbiotic stars and slow novae, derived from 2 ..mu..m spectroscopy. It is found that both the intensity of the emission spectrum and the electron density of the gas are functions of the spectral type of the late-type star. Explanations for these correlations are given. On the assumption that the late-type components are normal giants, spectroscopic parallaxes are determined; credible distances are derived which indicate that the known symbiotic stars have been sampled as far afield as the Galactic Centre. Hydrogen shell flashes on a white dwarf accreting gas from the late-type components offer an attractive explanation of the phenomena of slow novae and symbiotic stars, and such models are discussed in the concluding section.

  5. Slow Images and Entangled Photons

    International Nuclear Information System (INIS)

    Swordy, Simon

    2007-01-01

    I will discuss some recent experiments using slow light and entangled photons. We recently showed that it was possible to map a two dimensional image onto very low light level signals, slow them down in a hot atomic vapor while preserving the amplitude and phase of the images. If time remains, I will discuss some of our recent work with time-energy entangled photons for quantum cryptography. We were able to show that we could have a measurable state space of over 1000 states for a single pair of entangled photons in fiber.

  6. Pulsar slow-down epochs

    International Nuclear Information System (INIS)

    Heintzmann, H.; Novello, M.

    1981-01-01

    The relative importance of magnetospheric currents and low frequency waves for pulsar braking is assessed and a model is developed which tries to account for the available pulsar timing data under the unifying aspect that all pulsars have equal masses and magnetic moments and are born as rapid rotators. Four epochs of slow-down are distinguished which are dominated by different braking mechanisms. According to the model no direct relationship exists between 'slow-down age' and true age of a pulsar and leads to a pulsar birth-rate of one event per hundred years. (Author) [pt

  7. Modeling Droplet Heat and Mass Transfer during Spray Bar Pressure Control of the Multipurpose Hydrogen Test Bed (MHTB) Tank in Normal Gravity

    Science.gov (United States)

    Kartuzova, O.; Kassemi, M.

    2016-01-01

    A CFD model for simulating pressure control in cryogenic storage tanks through the injection of a subcooled liquid into the ullage is presented and applied to the 1g MHTB spray bar cooling experiments. An Eulerian-Lagrangian approach is utilized to track the spray droplets and capture the interaction between the discrete droplets and the continuous ullage phase. The spray model is coupled with the VOF model by performing particle tracking in the ullage, removing particles from the ullage when they reach the interface, and then adding their contributions to the liquid. A new model for calculating the droplet-ullage heat and mass transfer is developed. In this model, a droplet is allowed to warm up to the saturation temperature corresponding to the ullage vapor pressure, after which it evaporates while remaining at the saturation temperature. The droplet model is validated against the results of the MHTB spray-bar cooling experiments with 50% and 90% tank fill ratios. The predictions of the present T-sat based model are compared with those of a previously developed kinetic-based droplet mass transfer model. The predictions of the two models regarding the evolving tank pressure and temperature distributions, as well as the droplets' trajectories and temperatures, are examined and compared in detail. Finally, the ullage pressure and local vapor and liquid temperature evolutions are validated against the corresponding data provided by the MHTB spray bar mixing experiment.

  8. Charge-transfer energy in the water-hydrogen molecular aggregate revealed by molecular-beam scattering experiments, charge displacement analysis, and ab initio calculations.

    Science.gov (United States)

    Belpassi, Leonardo; Reca, Michael L; Tarantelli, Francesco; Roncaratti, Luiz F; Pirani, Fernando; Cappelletti, David; Faure, Alexandre; Scribano, Yohann

    2010-09-22

    Integral cross-section measurements for the system water-H(2) in molecular-beam scattering experiments are reported. Their analysis demonstrates that the average attractive component of the water-H(2) intermolecular potential in the well region is about 30% stronger than dispersion and induction forces would imply. An extensive and detailed theoretical analysis of the electron charge displacement accompanying the interaction, over several crucial sections of the potential energy surface (PES), shows that water-H(2) interaction is accompanied by charge transfer (CT) and that the observed stabilization energy correlates quantitatively with CT magnitude at all distances. Based on the experimentally determined potential and the calculated CT, a general theoretical model is devised which reproduces very accurately PES sections obtained at the CCSD(T) level with large basis sets. The energy stabilization associated with CT is calculated to be 2.5 eV per electron transferred. Thus, CT is shown to be a significant, strongly stereospecific component of the interaction, with water functioning as electron donor or acceptor in different orientations. The general relevance of these findings for water's chemistry is discussed.

  9. Exocellular electron transfer in anaerobic microbial communities

    NARCIS (Netherlands)

    Stams, A.J.M.; Bok, de F.A.M.; Plugge, C.M.; Eekert, van M.H.A.; Dolfing, J.; Schraa, G.

    2006-01-01

    Exocellular electron transfer plays an important role in anaerobic microbial communities that degrade organic matter. Interspecies hydrogen transfer between microorganisms is the driving force for complete biodegradation in methanogenic environments. Many organic compounds are degraded by obligatory

  10. A slowing-down problem

    Energy Technology Data Exchange (ETDEWEB)

    Carlvik, I; Pershagen, B

    1958-06-15

    An infinitely long circular cylinder of radius a is surrounded by an infinite moderator. Both media are non-capturing. The cylinder emits neutrons of age zero with a constant source density of S. We assume that the ratios of the slowing-down powers and of the diffusion constants are independent of the neutron energy. The slowing-down density is calculated for two cases, a) when the slowing-down power of the cylinder medium is very small, and b) when the cylinder medium is identical with the moderator. The ratios of the slowing-down density at the age {tau} and the source density in the two cases are called {psi}{sub V}, and {psi}{sub M} respectively. {psi}{sub V} and {psi}{sub M} are functions of y=a{sup 2}/4{tau}. These two functions ({psi}{sub V} and {psi}{sub M}) are calculated and tabulated for y = 0-0.25.

  11. Numerical modeling of slow shocks

    International Nuclear Information System (INIS)

    Winske, D.

    1987-01-01

    This paper reviews previous attempt and the present status of efforts to understand the structure of slow shocks by means of time dependent numerical calculations. Studies carried out using MHD or hybrid-kinetic codes have demonstrated qualitative agreement with theory. A number of unresolved issues related to hybrid simulations of the internal shock structure are discussed in some detail. 43 refs., 8 figs

  12. 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...

  13. Structural and electronic properties of epitaxial graphene on SiC(0 0 0 1): a review of growth, characterization, transfer doping and hydrogen intercalation

    International Nuclear Information System (INIS)

    Riedl, C; Coletti, C; Starke, U

    2010-01-01

    can be increased up to more than double its initial value. The hole doping allows the Fermi level to shift into the energy band gap. The impact of the interface layer can be completely eliminated by decoupling the graphene from the SiC substrate by a hydrogen intercalation technique. We demonstrate that hydrogen can migrate under the interface layer and passivate the underlying SiC substrate. The interface layer alone transforms into a quasi-free standing monolayer. Epitaxial monolayer graphene turns into a decoupled bilayer. In combination with atmospheric pressure graphitization, the intercalation process allows the production of quasi-free standing epitaxial graphene on large SiC wafers and represents a highly promising route towards epitaxial graphene based nanoelectronics.

  14. Water reactive hydrogen fuel cell power system

    Science.gov (United States)

    Wallace, Andrew P; Melack, John M; Lefenfeld, Michael

    2014-01-21

    A water reactive hydrogen fueled power system includes devices and methods to combine reactant fuel materials and aqueous solutions to generate hydrogen. The generated hydrogen is converted in a fuel cell to provide electricity. The water reactive hydrogen fueled power system includes a fuel cell, a water feed tray, and a fuel cartridge to generate power for portable power electronics. The removable fuel cartridge is encompassed by the water feed tray and fuel cell. The water feed tray is refillable with water by a user. The water is then transferred from the water feed tray into a fuel cartridge to generate hydrogen for the fuel cell which then produces power for the user.

  15. Hydrogen production in a PWR during LOCA

    International Nuclear Information System (INIS)

    Cassette, P.

    1984-01-01

    Hydrogen generation during a PWR LOCA has been estimated for design basis accident and for two more severe hypothetical accidents. Hydrogen production during design basis accident is a rather slow mechanism, allowing in the worst case, 15 days to connect a hydrogen recombining unit to the containment atmosphere monitoring system. Hydrogen generated by steam oxidation during more severe hypothetical accidents was found limited by steam availability and fuel melting phenomena. Uncertainty is, however, still remaining on corium-zirconium-steam interaction. In the worst case, calculations lead to the production of 500 kg of hydrogen, thus leading to a volume concentration of 15% in containment atmosphere, assuming homogeneous hydrogen distribution within the reactor building. This concentration is within flammability limits but not within detonation limits. However, hydrogen detonation due to local hydrogen accumulation cannot be discarded. A major uncertainty subsisting on hydrogen hazard is hydrogen distribution during the first hours of the accident. This point determines the effects and consequences of local detonation or deflagration which could possibly be harmful to safeguard systems, or induce missile generation in the reactor building. As electrical supply failures are identified as an important contributor to severe accident risk, corrective actions have been taken in France to improve their reliability, including the installation of a gas turbine on each site to supplement the existing sources. These actions are thus contributing to hydrogen hazard reduction

  16. Base free N-alkylation of anilines with ArCH2OH and transfer hydrogenation of aldehydes/ketones catalyzed by the complexes of η5-Cp*Ir(iii) with chalcogenated Schiff bases of anthracene-9-carbaldehyde.

    Science.gov (United States)

    Dubey, Pooja; Gupta, Sonu; Singh, Ajai K

    2018-03-12

    The condensation of anthracene-9-carbaldehyde with 2-(phenylthio/seleno)ethylamine results in Schiff bases [PhS(CH 2 ) 2 C[double bond, length as m-dash]N-9-C 14 H 9 ](L1) and [PhSe(CH 2 ) 2 C[double bond, length as m-dash]N-9-C 14 H 9 ] (L2). On their reaction with [(η 5 -Cp*)IrCl(μ-Cl)] 2 and CH 3 COONa at 50 °C followed by treatment with NH 4 PF 6 , iridacycles, [(η 5 -Cp*)Ir(L-H)][PF 6 ] (1: L = L1; 2: L = L2), result. The same reaction in the absence of CH 3 COONa gives complexes [(η 5 -Cp*)Ir(L)Cl][PF 6 ] (3-4) in which L = L1(3)/L2(4) ligates in a bidentate mode. The ligands and complexes were authenticated with HR-MS and NMR spectra [ 1 H, 13 C{ 1 H} and 77 Se{ 1 H} (in the case of L2 and its complexes only)]. Single crystal structures of L2 and half sandwich complexes 1-4 were established with X-ray crystallography. Three coordination sites of Ir in each complex are covered with η 5 -Cp* and on the remaining three, donor atoms present are: N, S/Se and C - /Cl - , resulting in a piano-stool structure. The moisture and air insensitive 1-4 act as efficient catalysts under mild conditions for base free N-alkylation of amines with benzyl alcohols and transfer hydrogenation (TH) of aldehydes/ketones. The optimum loading of 1-4 as a catalyst is 0.1-0.5 mol% for both the activations. The best reaction temperature is 80 °C for transfer hydrogenation and 100 °C for N-alkylation. The mercury poisoning test supports a homogeneous pathway for both the reactions catalyzed by 1-4. The two catalytic processes are most efficient with 3 followed by 4 > 1 > 2. The mechanism proposed on the basis of HR-MS of the reaction mixtures of the two catalytic processes taken after 1-2 h involves the formation of an alkoxy and hydrido species. The real catalytic species proposed in the case of iridacycles results due to the loss of the Cp* ring.

  17. The unappreciated slowness of conventional tourism

    Directory of Open Access Journals (Sweden)

    G.R. Larsen

    2016-05-01

    Full Text Available Most tourists are not consciously engaging in ‘slow travel’, but a number of travel behaviours displayed by conventional tourists can be interpreted as slow travel behaviour. Based on Danish tourists’ engagement with the distances they travel across to reach their holiday destination, this paper explores unintended slow travel behaviours displayed by these tourists. None of the tourists participating in this research were consciously doing ‘slow travel’, and yet some of their most valued holiday memories are linked to slow travel behaviours. Based on the analysis of these unintended slow travel behaviours, this paper will discuss the potential this insight might hold for promotion of slow travel. If unappreciated and unintentional slow travel behaviours could be utilised in the deliberate effort of encouraging more people to travel slow, ‘slow travel’ will be in a better position to become integrated into conventional travel behaviour.

  18. Modeling leaks from liquid hydrogen storage systems.

    Energy Technology Data Exchange (ETDEWEB)

    Winters, William Stanley, Jr.

    2009-01-01

    This report documents a series of models for describing intended and unintended discharges from liquid hydrogen storage systems. Typically these systems store hydrogen in the saturated state at approximately five to ten atmospheres. Some of models discussed here are equilibrium-based models that make use of the NIST thermodynamic models to specify the states of multiphase hydrogen and air-hydrogen mixtures. Two types of discharges are considered: slow leaks where hydrogen enters the ambient at atmospheric pressure and fast leaks where the hydrogen flow is usually choked and expands into the ambient through an underexpanded jet. In order to avoid the complexities of supersonic flow, a single Mach disk model is proposed for fast leaks that are choked. The velocity and state of hydrogen downstream of the Mach disk leads to a more tractable subsonic boundary condition. However, the hydrogen temperature exiting all leaks (fast or slow, from saturated liquid or saturated vapor) is approximately 20.4 K. At these temperatures, any entrained air would likely condense or even freeze leading to an air-hydrogen mixture that cannot be characterized by the REFPROP subroutines. For this reason a plug flow entrainment model is proposed to treat a short zone of initial entrainment and heating. The model predicts the quantity of entrained air required to bring the air-hydrogen mixture to a temperature of approximately 65 K at one atmosphere. At this temperature the mixture can be treated as a mixture of ideal gases and is much more amenable to modeling with Gaussian entrainment models and CFD codes. A Gaussian entrainment model is formulated to predict the trajectory and properties of a cold hydrogen jet leaking into ambient air. The model shows that similarity between two jets depends on the densimetric Froude number, density ratio and initial hydrogen concentration.

  19. Slow neutron mapping technique for level interface measurement

    Science.gov (United States)

    Zain, R. M.; Ithnin, H.; Razali, A. M.; Yusof, N. H. M.; Mustapha, I.; Yahya, R.; Othman, N.; Rahman, M. F. A.

    2017-01-01

    Modern industrial plant operations often require accurate level measurement of process liquids in production and storage vessels. A variety of advanced level indicators are commercially available to meet the demand, but these may not suit specific need of situations. The neutron backscatter technique is exceptionally useful for occasional and routine determination, particularly in situations such as pressure vessel with wall thickness up to 10 cm, toxic and corrosive chemical in sealed containers, liquid petroleum gas storage vessels. In level measurement, high energy neutrons from 241Am-Be radioactive source are beamed onto a vessel. Fast neutrons are slowed down mostly by collision with hydrogen atoms of material inside the vessel. Parts of thermal neutron are bounced back towards the source. By placing a thermal detector next to the source, these backscatter neutrons can be measured. The number of backscattered neutrons is directly proportional to the concentration of the hydrogen atoms in front of the neutron detector. As the source and detector moved by the matrix around the side of the vessel, interfaces can be determined as long as it involves a change in hydrogen atom concentration. This paper presents the slow neutron mapping technique to indicate level interface of a test vessel.

  20. A Primer to Slow Light

    OpenAIRE

    Leonhardt, U.

    2001-01-01

    Laboratory-based optical analogs of astronomical objects such as black holes rely on the creation of light with an extremely low or even vanishing group velocity (slow light). These brief notes represent a pedagogical attempt towards elucidating this extraordinary form of light. This paper is a contribution to the book Artificial Black Holes edited by Mario Novello, Matt Visser and Grigori Volovik. The paper is intended as a primer, an introduction to the subject for non-experts, not as a det...

  1. Capillary waves in slow motion

    International Nuclear Information System (INIS)

    Seydel, Tilo; Tolan, Metin; Press, Werner; Madsen, Anders; Gruebel, Gerhard

    2001-01-01

    Capillary wave dynamics on glycerol surfaces has been investigated by means of x-ray photon correlation spectroscopy performed at grazing angles. The measurements show that thermally activated capillary wave motion is slowed down exponentially when the sample is cooled below 273 K. This finding directly reflects the freezing of the surface waves. The wave-number dependence of the measured time constants is in quantitative agreement with theoretical predictions for overdamped capillary waves

  2. The fast slow TDPAC spectrometer

    International Nuclear Information System (INIS)

    Cekic, B.; Koicki, S.; Manasijevic, M.; Ivanovic, N.; Koteski, V.; Milosevic, Z.; Radisavljevic, I.; Cavor, J.; Novakovic, N.; Marjanovic, D.

    2001-01-01

    A 2-BaF 2 detector - fast slow time spectrometer for time differential perturbed angular correlations (TDPAC) experiments is described. This apparatus has been developed in the Group for Hyperfine Interactions in the Institute for Nuclear Sciences in VINCA. The excellent time resolution combined with high efficiency offered by these detectors enables one high counting rate performance and is operating in the wide temperature range 78-1200 K. (author)

  3. Hidden slow pulsars in binaries

    Science.gov (United States)

    Tavani, Marco; Brookshaw, Leigh

    1993-01-01

    The recent discovery of the binary containing the slow pulsar PSR 1718-19 orbiting around a low-mass companion star adds new light on the characteristics of binary pulsars. The properties of the radio eclipses of PSR 1718-19 are the most striking observational characteristics of this system. The surface of the companion star produces a mass outflow which leaves only a small 'window' in orbital phase for the detection of PSR 1718-19 around 400 MHz. At this observing frequency, PSR 1718-19 is clearly observable only for about 1 hr out of the total 6.2 hr orbital period. The aim of this Letter is twofold: (1) to model the hydrodynamical behavior of the eclipsing material from the companion star of PSR 1718-19 and (2) to argue that a population of binary slow pulsars might have escaped detection in pulsar surveys carried out at 400 MHz. The possible existence of a population of partially or totally hidden slow pulsars in binaries will have a strong impact on current theories of binary evolution of neutron stars.

  4. 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

  5. Finding Furfural Hydrogenation Catalysts via Predictive Modelling

    OpenAIRE

    Strassberger, Zea; Mooijman, Maurice; Ruijter, Eelco; Alberts, Albert H; Maldonado, Ana G; Orru, Romano V A; Rothenberg, Gadi

    2010-01-01

    Abstract We combine multicomponent reactions, catalytic performance studies and predictive modelling to find transfer hydrogenation catalysts. An initial set of 18 ruthenium-carbene complexes were synthesized and screened in the transfer hydrogenation of furfural to furfurol with isopropyl alcohol complexes gave varied yields, from 62% up to >99.9%, with no obvious structure/activity correlations. Control experiments proved that the carbene ligand remains coordinated to the ruthenium centre t...

  6. An Exact Solution of The Neutron Slowing Down Equation

    Energy Technology Data Exchange (ETDEWEB)

    Stefanovic, D [Boris Kidric Vinca Institute of Nuclear Sciences, Vinca, Belgrade (Yugoslavia)

    1970-07-01

    The slowing down equation for an infinite homogeneous monoatomic medium is solved exactly. The cross sections depend on neutron energy. The solution is given in analytical form within each of the lethargy intervals. This analytical form is the sum of probabilities which are given by the Green functions. The calculated collision density is compared with the one obtained by Bednarz and also with an approximate Wigner formula for the case of a resonance not wider than one collision interval. For the special case of hydrogen, the present solution reduces to Bethe's solution. (author)

  7. Hydrogen-Induced Plastic Deformation in ZnO

    Science.gov (United States)

    Lukáč, F.; Čížek, J.; Vlček, M.; Procházka, I.; Anwand, W.; Brauer, G.; Traeger, F.; Rogalla, D.; Becker, H.-W.

    In the present work hydrothermally grown ZnO single crystals covered with Pd over-layer were electrochemically loaded with hydrogen and the influence of hydrogen on ZnO micro structure was investigated by positron annihilation spectroscopy (PAS). Nuclear reaction analysis (NRA) was employed for determination of depth profile of hydrogen concentration in the sample. NRA measurements confirmed that a substantial amount of hydrogen was introduced into ZnO by electrochemical charging. The bulk hydrogen concentration in ZnO determined by NRA agrees well with the concentration estimated from the transported charge using the Faraday's law. Moreover, a subsurface region with enhanced hydrogen concentration was found in the loaded crystals. Slow positron implantation spectroscopy (SPIS) investigations of hydrogen-loaded crystal revealed enhanced concentration of defects in the subsurface region. This testifies hydrogen-induced plastic deformation of the loaded crystal. Absorbed hydrogen causes a significant lattice expansion. At low hydrogen concentrations this expansion is accommodated by elastic straining, but at higher concentrations hydrogen-induced stress exceeds the yield stress in ZnO and plastic deformation of the loaded crystal takes place. Enhanced hydrogen concentration detected in the subsurface region by NRA is, therefore, due to excess hydrogen trapped at open volume defects introduced by plastic deformation. Moreover, it was found that hydrogen-induced plastic deformation in the subsurface layer leads to typical surface modification: formation of hexagonal shape pyramids on the surface due to hydrogen-induced slip in the [0001] direction.

  8. Slow electrons kill the ozone

    International Nuclear Information System (INIS)

    Maerk, T.

    2001-01-01

    A new method and apparatus (Trochoidal electron monochromator) to study the interactions of electrons with atoms, molecules and clusters was developed. Two applications are briefly reported: a) the ozone destruction in the atmosphere is caused by different reasons, a new mechanism is proposed, that slow thermal electrons are self added to the ozone molecule (O 3 ) with a high frequency, then O 3 is destroyed ( O 3 + e - → O - + O 2 ); b) another application is the study of the binding energy of the football molecule C60. (nevyjel)

  9. The CUORE slow monitoring systems

    Science.gov (United States)

    Gladstone, L.; Biare, D.; Cappelli, L.; Cushman, J. S.; Del Corso, F.; Fujikawa, B. K.; Hickerson, K. P.; Moggi, N.; Pagliarone, C. E.; Schmidt, B.; Wagaarachchi, S. L.; Welliver, B.; Winslow, L. A.

    2017-09-01

    CUORE is a cryogenic experiment searching primarily for neutrinoless double decay in 130Te. It will begin data-taking operations in 2016. To monitor the cryostat and detector during commissioning and data taking, we have designed and developed Slow Monitoring systems. In addition to real-time systems using LabVIEW, we have an alarm, analysis, and archiving website that uses MongoDB, AngularJS, and Bootstrap software. These modern, state of the art software packages make the monitoring system transparent, easily maintainable, and accessible on many platforms including mobile devices.

  10. Blowup for flat slow manifolds

    DEFF Research Database (Denmark)

    Kristiansen, Kristian Uldall

    2017-01-01

    In this paper, we present a way of extending the blowup method, in the formulation of Krupa and Szmolyan, to flat slow manifolds that lose hyperbolicity beyond any algebraic order. Although these manifolds have infinite co-dimensions, they do appear naturally in certain settings; for example, in (a......) the regularization of piecewise smooth systems by tanh, (b) a particular aircraft landing dynamics model, and finally (c) in a model of earthquake faulting. We demonstrate the approach using a simple model system and the examples (a) and (b)....

  11. Blowup for flat slow manifolds

    Science.gov (United States)

    Kristiansen, K. U.

    2017-05-01

    In this paper, we present a way of extending the blowup method, in the formulation of Krupa and Szmolyan, to flat slow manifolds that lose hyperbolicity beyond any algebraic order. Although these manifolds have infinite co-dimensions, they do appear naturally in certain settings; for example, in (a) the regularization of piecewise smooth systems by \\tanh , (b) a particular aircraft landing dynamics model, and finally (c) in a model of earthquake faulting. We demonstrate the approach using a simple model system and the examples (a) and (b).

  12. 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.

  13. Modelling hydrogen permeation in a hydrogen effusion probe for monitoring corrosion of carbon steels

    International Nuclear Information System (INIS)

    Santiwiparat, P.; Rirksomboon, T.; Steward, F.R.; Lister, D.H.; Cook, W.G.

    2015-01-01

    Hydrogen accumulation inside carbon steel and stainless steel devices shaped like cylindrical cups attached to a pipe containing hydrogen gas was modelled with MATLAB software. Hydrogen transfer around the bottom of the cups (edge effect) and diffusion through the cup walls (material effect) were accounted for. The variation of hydrogen pressure with time was similar for both materials, but the hydrogen plateau pressures in stainless steel cups were significantly higher than those in carbon steel cups. The geometry of the cup also affected the plateau pressure inside the cup. (author)

  14. Negative hydrogen ion production mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Bacal, M. [UPMC, LPP, Ecole Polytechnique, UMR CNRS 7648, Palaiseau (France); Wada, M. [School of Science and Engineering, Doshisha University, Kyoto 610-0321 (Japan)

    2015-06-15

    Negative hydrogen/deuterium ions can be formed by processes occurring in the plasma volume and on surfaces facing the plasma. The principal mechanisms leading to the formation of these negative ions are dissociative electron attachment to ro-vibrationally excited hydrogen/deuterium molecules when the reaction takes place in the plasma volume, and the direct electron transfer from the low work function metal surface to the hydrogen/deuterium atoms when formation occurs on the surface. The existing theoretical models and reported experimental results on these two mechanisms are summarized. Performance of the negative hydrogen/deuterium ion sources that emerged from studies of these mechanisms is reviewed. Contemporary negative ion sources do not have negative ion production electrodes of original surface type sources but are operated with caesium with their structures nearly identical to volume production type sources. Reasons for enhanced negative ion current due to caesium addition to these sources are discussed.

  15. Neutron transmission measurements on hydrogen filled microspheres

    International Nuclear Information System (INIS)

    Dyrnjaja, Eva; Hummel, Stefan; Keding, Marcus; Smolle, Marie-Theres; Gerger, Joachim; Zawisky, Michael

    2014-01-01

    Hollow microspheres are promising candidates for future hydrogen storage technologies. Although the physical process for hydrogen diffusion through glass is well understood, measurements of static quantities (e.q. hydrogen pressure inside the spheres) as well as dynamic properties (e.g. diffusion rate of hydrogen through glass) are still difficult to handle due to the small size of the spheres (d≈15μm). For diffusion rate measurements, the long-term stability of the experiment is also mandatory due to the relatively slow diffusion rate. In this work, we present an accurate and long-term stable measurement technique for static and dynamic properties, using neutron radiography. Furthermore, possible applications for hydrogen filled microspheres within the scope of radiation issues are discussed

  16. Connecting slow earthquakes to huge earthquakes

    OpenAIRE

    Obara, Kazushige; Kato, Aitaro

    2016-01-01

    Slow earthquakes are characterized by a wide spectrum of fault slip behaviors and seismic radiation patterns that differ from those of traditional earthquakes. However, slow earthquakes and huge megathrust earthquakes can have common slip mechanisms and are located in neighboring regions of the seismogenic zone. The frequent occurrence of slow earthquakes may help to reveal the physics underlying megathrust events as useful analogs. Slow earthquakes may function as stress meters because of th...

  17. Integrated Photonics Enabled by Slow Light

    DEFF Research Database (Denmark)

    Mørk, Jesper; Chen, Yuntian; Ek, Sara

    2012-01-01

    In this talk we will discuss the physics of slow light in semiconductor materials and in particular the possibilities offered for integrated photonics. This includes ultra-compact slow light enabled optical amplifiers, lasers and pulse sources.......In this talk we will discuss the physics of slow light in semiconductor materials and in particular the possibilities offered for integrated photonics. This includes ultra-compact slow light enabled optical amplifiers, lasers and pulse sources....

  18. Slowing down bubbles with sound

    Science.gov (United States)

    Poulain, Cedric; Dangla, Remie; Guinard, Marion

    2009-11-01

    We present experimental evidence that a bubble moving in a fluid in which a well-chosen acoustic noise is superimposed can be significantly slowed down even for moderate acoustic pressure. Through mean velocity measurements, we show that a condition for this effect to occur is for the acoustic noise spectrum to match or overlap the bubble's fundamental resonant mode. We render the bubble's oscillations and translational movements using high speed video. We show that radial oscillations (Rayleigh-Plesset type) have no effect on the mean velocity, while above a critical pressure, a parametric type instability (Faraday waves) is triggered and gives rise to nonlinear surface oscillations. We evidence that these surface waves are subharmonic and responsible for the bubble's drag increase. When the acoustic intensity is increased, Faraday modes interact and the strongly nonlinear oscillations behave randomly, leading to a random behavior of the bubble's trajectory and consequently to a higher slow down. Our observations may suggest new strategies for bubbly flow control, or two-phase microfluidic devices. It might also be applicable to other elastic objects, such as globules, cells or vesicles, for medical applications such as elasticity-based sorting.

  19. A fast-slow logic system

    International Nuclear Information System (INIS)

    Kawashima, Hideo.

    1977-01-01

    A fast-slow logic system has been made for use in multi-detector experiments in nuclear physics such as particle-gamma and particle-particle coincidence experiments. The system consists of a fast logic system and a slow logic system. The fast logic system has a function of fast coincidences and provides timing signals for the slow logic system. The slow logic system has a function of slow coincidences and a routing control of input analog signals to the ADCs. (auth.)

  20. 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)

  1. Traditional Procurement is too Slow

    Directory of Open Access Journals (Sweden)

    Ann Kong

    2012-11-01

    Full Text Available This paper reports on an exploratory interview survey of construction project participants aimed at identifying the reasons for the decrease in use of the traditional, lump-sum, procurement system in Malaysia. The results show that most people believe it is too slow. This appears to be in part due to the contiguous nature of the various phase and stages of the process and especially the separation of the design and construction phases. The delays caused by disputes between the various parties are also seen as a contributory factor - the most prominent cause being the frequency of variations, with design and scope changes being a particular source of discontent. It is concluded that an up scaling of the whole of the time related reward/penalty system may be the most appropriate measure for the practice in future.

  2. Slow pyrolysis of pistachio shell

    Energy Technology Data Exchange (ETDEWEB)

    Apaydin-Varol, Esin; Putun, Ersan; Putun, Ayse E [Anadolu University, Eskisehir (Turkey). Department of Chemical Engineering

    2007-08-15

    In this study, pistachio shell is taken as the biomass sample to investigate the effects of pyrolysis temperature on the product yields and composition when slow pyrolysis is applied in a fixed-bed reactor at atmospheric pressure to the temperatures of 300, 400, 500, 550, 700{sup o}C. The maximum liquid yield was attained at about 500-550{sup o}C with a yield of 20.5%. The liquid product obtained under this optimum temperature and solid products obtained at all temperatures were characterized. As well as proximate and elemental analysis for the products were the basic steps for characterization, column chromatography, FT-IR, GC/MS and SEM were used for further characterization. The results showed that liquid and solid products from pistachio shells show similarities with high value conventional fuels. 31 refs., 9 figs., 1 tab.

  3. The TTI slowness surface approximation

    KAUST Repository

    Stovas, A.

    2011-01-01

    The relation between the vertical and horizontal slownesses, better known as the dispersion relation, for a transversely isotropic media with titled symmetry axis {left parenthesis, less than bracket}TTI{right parenthesis, greater than bracket} requires solving a quartic polynomial, which does not admit a practical explicit solution to be used, for example, in downward continuation. Using a combination of perturbation theory with respect to the anelliptic parameter and Shanks transform to improve the accuracy of the expansion, we develop an explicit formula for the dispersion relation that is highly accurate for all practical purposes. It also reveals some insights into the anisotropy parameter dependency of the dispersion relation including the low impact that the anelliptic parameter has on the vertical placement of reflectors for small tilt in the symmetry angle. © 2011 Society of Exploration Geophysicists.

  4. NQR application to the study of hydrogen dynamics in hydrogen-bonded molecular dimers

    Energy Technology Data Exchange (ETDEWEB)

    Asaji, Tetsuo, E-mail: asaji@chs.nihon-u.ac.jp [Nihon University, Department of Chemistry, College of Humanities and Sciences (Japan)

    2016-12-15

    The temperature dependences of {sup 1}H NMR as well as {sup 35}Cl NQR spin-lattice relaxation times T{sub 1} were investigated in order to study the hydrogen transfer dynamics in carboxylic acid dimers in 3,5-dichloro- and 2,6-dichlorobenzoic acids. The asymmetry energy A/ k{sub B} and the activation energy V/ k{sub B} for the hydrogen transfer were estimated to be 240 K and 900 K, and 840 K and 2500 K, respectively, for these compounds. In spite of a large asymmetric potential the quantum nature of hydrogen transfer is recognized in the slope of the temperature dependence of T{sub 1} on the low-temperature side of the T{sub 1} minimum. The NQR T{sub 1} measurements was revealed to be a good probe for the hydrogen transfer dynamics.

  5. In situ NMR studies of hydrogen storage kinetics and molecular diffusion in clathrate hydrate at elevated hydrogen pressures

    Energy Technology Data Exchange (ETDEWEB)

    Okuchi, T. [Okayama Univ., Misasa, Tottori (Japan); Moudrakovski, I.L.; Ripmeester, J.A. [National Research Council of Canada, Ottawa, ON (Canada). Steacie Inst. for Molecular Sciences

    2008-07-01

    The challenge of storing high-density hydrogen into compact host media was investigated. The conventional storage scheme where an aqueous solution is frozen with hydrogen gas is too slow for practical use in a hydrogen-based society. Therefore, the authors developed a faster method whereby hydrogen was stored into gas hydrates. The hydrogen gas was directly charged into hydrogen-free, crystalline hydrate powders with partly empty lattices. The storage kinetics and hydrogen diffusion into the hydrate was observed in situ by nuclear magnetic resonance (NMR) in a pressurized tube cell. At pressures up to 20 MPa, the storage was complete within 80 minutes, as observed by growth of stored-hydrogen peak into the hydrate. Hydrogen diffusion within the crystalline hydrate media is the rate-determining step of current storage scheme. Therefore, the authors measured the diffusion coefficient of hydrogen molecules using the pulsed field gradient NMR method. The results show that the stored hydrogen is very mobile at temperatures down to 250 K. As such, the powdered hydrate media should work well even in cold environments. Compared with more prevailing hydrogen storage media such as metal hydrides, clathrate hydrates have the advantage of being free from hydrogen embrittlement, more chemically durable, more environmentally sound, and economically affordable. It was concluded that the powdered clathrate hydrate is suitable as a hydrogen storage media. 22 refs., 4 figs.

  6. Evaluation of susceptibility of high strength steels to delayed fracture by using cyclic corrosion test and slow strain rate test

    International Nuclear Information System (INIS)

    Li Songjie; Zhang Zuogui; Akiyama, Eiji; Tsuzaki, Kaneaki; Zhang Boping

    2010-01-01

    To evaluate susceptibilities of high strength steels to delayed fracture, slow strain rate tests (SSRT) of notched bar specimens of AISI 4135 with tensile strengths of 1300 and 1500 MPa and boron-bearing steel with 1300 MPa have been performed after cyclic corrosion test (CCT). During SSRT the humidity around the specimen was kept high to keep absorbed diffusible hydrogen. The fracture stresses of AISI 4135 steels decreased with increment of diffusible hydrogen content which increased with CCT cycles. Their delayed fracture susceptibilities could be successfully evaluated in consideration of both influence of hydrogen content on mechanical property and hydrogen entry.

  7. Evaluation of susceptibility of high strength steels to delayed fracture by using cyclic corrosion test and slow strain rate test

    Energy Technology Data Exchange (ETDEWEB)

    Li Songjie [School of Materials Science and Engineering, University of Science and Technology Beijing, No. 30 Xueyuan Road, Hidian Zone, Beijing 100083 (China); Structural Metals Center, National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Zhang Zuogui [Structural Metals Center, National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Akiyama, Eiji [Structural Metals Center, National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan)], E-mail: AKIYAMA.Eiji@nims.go.jp; Tsuzaki, Kaneaki [Structural Metals Center, National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Zhang Boping [School of Materials Science and Engineering, University of Science and Technology Beijing, No. 30 Xueyuan Road, Hidian Zone, Beijing 100083 (China)

    2010-05-15

    To evaluate susceptibilities of high strength steels to delayed fracture, slow strain rate tests (SSRT) of notched bar specimens of AISI 4135 with tensile strengths of 1300 and 1500 MPa and boron-bearing steel with 1300 MPa have been performed after cyclic corrosion test (CCT). During SSRT the humidity around the specimen was kept high to keep absorbed diffusible hydrogen. The fracture stresses of AISI 4135 steels decreased with increment of diffusible hydrogen content which increased with CCT cycles. Their delayed fracture susceptibilities could be successfully evaluated in consideration of both influence of hydrogen content on mechanical property and hydrogen entry.

  8. 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

  9. GAT 4 production and storage of hydrogen. Report July 2004

    International Nuclear Information System (INIS)

    2004-01-01

    This paper concerns two aspects of the hydrogen: the production and the storage. For both parts the challenges and a state of the art are presented. It discusses also the hydrogen production by renewable energies, by solar energy, the hydrogen of hydrocarbons reforming purification, active phases development, thermal transfer simulation. Concerning the hydrogen storage the hydrogen adsorption by large surface solid, the storage by metallic hydrides, the alanates and light hydrides, the adsorption on carbon nano-tubes, the storage in nano-structures, the thermal and mechanical simulation of the hydrogen are presented. (A.L.B.)

  10. TRANSFERENCE BEFORE TRANSFERENCE.

    Science.gov (United States)

    Bonaminio, Vincenzo

    2017-10-01

    This paper is predominantly a clinical presentation that describes the transmigration of one patient's transference to another, with the analyst functioning as a sort of transponder. It involves an apparently accidental episode in which there was an unconscious intersection between two patients. The author's aim is to show how transference from one case may affect transference in another, a phenomenon the author calls transference before transference. The author believes that this idea may serve as a tool for understanding the unconscious work that takes place in the clinical situation. In a clinical example, the analyst finds himself caught up in an enactment involving two patients in which he becomes the medium of what happens in session. © 2017 The Psychoanalytic Quarterly, Inc.

  11. Circular states of atomic hydrogen

    International Nuclear Information System (INIS)

    Lutwak, R.; Holley, J.; Chang, P.P.; Paine, S.; Kleppner, D.; Ducas, T.

    1997-01-01

    We describe the creation of circular states of hydrogen by adiabatic transfer of a Rydberg state in crossed electric and magnetic fields, and also by adiabatic passage in a rotating microwave field. The latter method permits rapid switching between the two circular states of a given n manifold. The two methods are demonstrated experimentally, and results are presented of an analysis of the field ionization properties of the circular states. An application for the circular states is illustrated by millimeter-wave resonance in hydrogen of the n=29→n=30 transition. copyright 1997 The American Physical Society

  12. Hydrogen embrittlement of titanium tested with fracture mechanics specimens

    International Nuclear Information System (INIS)

    Aho-Mantila, I.; Rahko, P.

    1990-11-01

    Titanium is one of the possible canister materials for spent nuclear fuel. The aim of this study is to determine whether the hydrogen embrittlement of titanium could be a possible deterioration mechanism of titanium canisters. This experimental study was preceded by a literature review and an experimental study on crack nucleation. Tests in this study were carried out with hydrogen charged fracture mechanics specimens. The studied hydrogen contents were as received, 100 ppm, 200 ppm, 500 ppm and 700 ppm and the types of the studied titanium were ASTM Grades 2 and 12. Test methods were slow tensile test (0.027 mm/h) and fatigue test (stress ratio 0.7 or 0.8 and frequency 5 Hz). According to the literature titanium may be embrittled by hydrogen at slow strain rates and cracking may occur under sustained load. In this study no evidence of hydrogen embrittlement was noticed in slow strain rate tension with bulk hydrogen contents up to 700 ppm. The fatigue tests of titanium Grades 2 and 12 containing 700 ppm hydrogen showed even slower crack growth compared to the as received condition. Very high hydrogen contents well in eccess of 700 ppm on the surface of titanium can, however, facilitate surface crack nucleation and crack growth, as shown in the previous study

  13. Interspecies Electron Transfer during Propionate and Butyrate Degradation in Mesophilic, Granular Sludge

    OpenAIRE

    Schmidt, J. E.; Ahring, B. K.

    1995-01-01

    Granules from a mesophilic upflow anaerobic sludge blanket reactor were disintegrated, and bacteria utilizing only hydrogen or formate or both hydrogen and formate were added to investigate the role of interspecies electron transfer during degradation of propionate and butyrate. The data indicate that the major electron transfer occurred via interspecies hydrogen transfer, while interspecies formate transfer may not be essential for interspecies electron transfer in this system during degrada...

  14. Slow Controls Using the Axiom M5235BCC

    Science.gov (United States)

    Hague, Tyler

    2008-10-01

    The Forward Vertex Detector group at PHENIX plans to adopt the Axiom M5235 Business Card Controller for use as slow controls. It is also being evaluated for slow controls on FermiLab e906. This controller features the Freescale MCF5235 microprocessor. It also has three parallel buses, these being the MCU port, BUS port, and enhanced Time Processing Unit (eTPU) port. The BUS port uses a chip select module with three external chip selects to communicate with peripherals. This will be used to communicate with and configure Field Programmable Gate Arrays (FPGAs). The controller also has an Ethernet port which can use several different protocols such as TCP and UDP. This will be used to transfer files with computers on a network. The M5235 Business Card Controller will be placed in a VME crate along with VME card and a Spartan-3 FPGA.

  15. Magnetic refrigerator for hydrogen liquefaction

    Energy Technology Data Exchange (ETDEWEB)

    Numazawa, T [National Institute for Materials Science, Tsukuba (Japan); Kamlya, K. [Japan Atomic Energy Agency, Naka (Japan); Utaki, T. [Osaka University, Osaka (Japan); Matsumoto, K. [Kanazawa University, Kanazawa (Japan)

    2013-06-15

    This paper reviews the development status of magnetic refrigeration system for hydrogen liquefaction. There is no doubt that hydrogen is one of most important energy sources in the near future. In particular, liquid hydrogen can be utilized for infrastructure construction consisting of storage and transportation. Liquid hydrogen is in cryogenic temperatures and therefore high efficient liquefaction method must be studied. Magnetic refrigeration which uses the magneto-caloric effect has potential to realize not only the higher liquefaction efficiency > 50 %, but also to be environmentally friendly and cost effective. Our hydrogen magnetic refrigeration system consists of Carnot cycle for liquefaction stage and AMR (active magnetic regenerator) cycle for precooling stages. For the Carnot cycle, we develop the high efficient system > 80 % liquefaction efficiency by using the heat pipe. For the AMR cycle, we studied two kinds of displacer systems, which transferred the working fluid. We confirmed the AMR effect with the cooling temperature span of 12 K for 1.8 T of the magnetic field and 6 second of the cycle. By using the simulation, we estimate the total efficiency of the hydrogen liquefaction plant for 10 kg/day. A FOM of 0.47 is obtained in the magnetic refrigeration system operation temperature between 20 K and 77 K including LN2 work input.

  16. Hydrogen bond dynamics in bulk alcohols

    International Nuclear Information System (INIS)

    Shinokita, Keisuke; Cunha, Ana V.; Jansen, Thomas L. C.; Pshenichnikov, Maxim S.

    2015-01-01

    Hydrogen-bonded liquids play a significant role in numerous chemical and biological phenomena. In the past decade, impressive developments in multidimensional vibrational spectroscopy and combined molecular dynamics–quantum mechanical simulation have established many intriguing features of hydrogen bond dynamics in one of the fundamental solvents in nature, water. The next class of a hydrogen-bonded liquid—alcohols—has attracted much less attention. This is surprising given such important differences between water and alcohols as the imbalance between the number of hydrogen bonds, each molecule can accept (two) and donate (one) and the very presence of the hydrophobic group in alcohols. Here, we use polarization-resolved pump-probe and 2D infrared spectroscopy supported by extensive theoretical modeling to investigate hydrogen bond dynamics in methanol, ethanol, and isopropanol employing the OH stretching mode as a reporter. The sub-ps dynamics in alcohols are similar to those in water as they are determined by similar librational and hydrogen-bond stretch motions. However, lower density of hydrogen bond acceptors and donors in alcohols leads to the appearance of slow diffusion-controlled hydrogen bond exchange dynamics, which are essentially absent in water. We anticipate that the findings herein would have a potential impact on fundamental chemistry and biology as many processes in nature involve the interplay of hydrophobic and hydrophilic groups

  17. Hydrogen bond dynamics in bulk alcohols.

    Science.gov (United States)

    Shinokita, Keisuke; Cunha, Ana V; Jansen, Thomas L C; Pshenichnikov, Maxim S

    2015-06-07

    Hydrogen-bonded liquids play a significant role in numerous chemical and biological phenomena. In the past decade, impressive developments in multidimensional vibrational spectroscopy and combined molecular dynamics-quantum mechanical simulation have established many intriguing features of hydrogen bond dynamics in one of the fundamental solvents in nature, water. The next class of a hydrogen-bonded liquid--alcohols--has attracted much less attention. This is surprising given such important differences between water and alcohols as the imbalance between the number of hydrogen bonds, each molecule can accept (two) and donate (one) and the very presence of the hydrophobic group in alcohols. Here, we use polarization-resolved pump-probe and 2D infrared spectroscopy supported by extensive theoretical modeling to investigate hydrogen bond dynamics in methanol, ethanol, and isopropanol employing the OH stretching mode as a reporter. The sub-ps dynamics in alcohols are similar to those in water as they are determined by similar librational and hydrogen-bond stretch motions. However, lower density of hydrogen bond acceptors and donors in alcohols leads to the appearance of slow diffusion-controlled hydrogen bond exchange dynamics, which are essentially absent in water. We anticipate that the findings herein would have a potential impact on fundamental chemistry and biology as many processes in nature involve the interplay of hydrophobic and hydrophilic groups.

  18. Plant domestication slows pest evolution.

    Science.gov (United States)

    Turcotte, Martin M; Lochab, Amaneet K; Turley, Nash E; Johnson, Marc T J

    2015-09-01

    Agricultural practices such as breeding resistant varieties and pesticide use can cause rapid evolution of pest species, but it remains unknown how plant domestication itself impacts pest contemporary evolution. Using experimental evolution on a comparative phylogenetic scale, we compared the evolutionary dynamics of a globally important economic pest - the green peach aphid (Myzus persicae) - growing on 34 plant taxa, represented by 17 crop species and their wild relatives. Domestication slowed aphid evolution by 13.5%, maintained 10.4% greater aphid genotypic diversity and 5.6% higher genotypic richness. The direction of evolution (i.e. which genotypes increased in frequency) differed among independent domestication events but was correlated with specific plant traits. Individual-based simulation models suggested that domestication affects aphid evolution directly by reducing the strength of selection and indirectly by increasing aphid density and thus weakening genetic drift. Our results suggest that phenotypic changes during domestication can alter pest evolutionary dynamics. © 2015 John Wiley & Sons Ltd/CNRS.

  19. BWR hydrogen addition for IGSCC

    International Nuclear Information System (INIS)

    Anderson, D.S.

    1985-01-01

    Mitigation of intergranular stress corrosion cracking (IGSCC) in austenitic stainless steel piping and other components exposed to the primary coolant in boiling water reactors has become a major industry challenge. Hydrogen water chemistry (HWC) has become a very popular recommended method of slowing the propagation of IGSCC and is a desirable alternative to material replacement. Although HWC is a reasonable solution for controlling IGSCC, it is not without significant drawbacks for some plants. Carolina Power and Light's (CP and L's) Brunswick Unit 2 is one of these plants where the use of HWC for the mitigation of IGSCC could have a major impact on the current operating philosophy

  20. The cost analysis of hydrogen life cycle in China

    International Nuclear Information System (INIS)

    Yao, Fei; Jia, Yuan; Mao, Zongqiang

    2010-01-01

    Currently, the increasing price of oil and the possibility of global energy crisis demand for substitutive energy to replace fossil energy. Many kinds of renewable energy have been considered, such as hydrogen, solar energy, and wind energy. Many countries including China have their own plan to support the research of hydrogen, because of its premier features. But, at present, the cost of hydrogen energy production, storage and transportation process is higher than that of fossil energy and its commercialization progress is slow. Life cycle cost analysis (LCCA) was used in this paper to evaluate the cost of hydrogen energy throughout the life cycle focused on the stratagem selection, to demonstrate the costs of every step and to discuss their relationship. Finally, the minimum cost program is as follows: natural gas steam reforming - high-pressure hydrogen bottles transported by car to hydrogen filling stations - hydrogen internal-combustion engines. (author)

  1. Hydrogen transport in 4130 steel

    International Nuclear Information System (INIS)

    Kass, W.J.

    1976-01-01

    The solubility data indicate that under glow discharge conditions hydrogen entering the lattice is already dissociated in the gas phase. Since subsequent diffusion is expected to be no longer limited by a surface process, the remaining anomalous low temperature diffusion behavior may be related to a bulk process such as trapping. The normal permeation behavior is consistent with a trapping mechanism since the steady state permeation rate is not affected by trapping. Consequently, in normal permeation measurements it appears that both perturbations to simple diffusion occur, the hydrogen dissociation is influenced by a slow surface step and the bulk diffusion is perturbed by trapping sites. Promising future work should be the analysis of the transient diffusion behavior under glow discharge conditions via the model of McNabb and Foster to determine if meaningful trapping parameters may be elicited

  2. DEB-silicone rubber hydrogen absorbing Raman detection technology research

    International Nuclear Information System (INIS)

    Yang Suolong; Zhong Jingrong; Wang Huang; Yang Kaixu; Xiao Jiqun; Liu Jiaxi; Liao Junsheng

    2012-01-01

    The DEB-Pd/C hydrogen getter powder and DEB-Pd/C-silicone rubber getter film were prepared and used for hydrogen detection in close systems by laser Raman method. The DEB alkanes Raman peak intensity changes with the getter time were monitored by Raman spectrometer. As a result, silicone rubber has good compatibility with DEB getter, slow access to hydrogen and good flexible. The alkanes peak intensity-getter time followed a exponential rule. DEB getter films are suitable for Raman on-line monitor of cumulative hydrogen of a closed system at long time. (authors)

  3. Applications of Slow Light in Telecommunications

    National Research Council Canada - National Science Library

    Boyd, Robert W; Gauthier, Daniel J; Gaeta, Alexander L

    2006-01-01

    .... Now, optical scientists are turning their attention toward developing useful applications of slow light, including controllable optical delay lines, optical buffers and true time delay methods...

  4. 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.)

  5. MODELLING SLOW EXTRACTION INDUCED RADIOACTIVITY IN SPS LSS2

    CERN Document Server

    Araujo Martinez, Aurora Cecilia; CERN. Geneva. TE Department

    2017-01-01

    The Accelerator and Beam Transfer (ABT) group is investigating the impact of recent proposals to extract higher proton intensities to Fixed Target experiments at the SPS. The 400 GeV high-energy proton beam is typically extracted over a few seconds using a resonant slow-extraction technique that induces small but unavoidable beam losses on the extraction equipment in SPS LSS2. In this report, the induced radioactivity for 2016-2017 is used to predict future activation levels and cool-down times, using a past intervention as a reference to predict dose to the personnel carrying-out maintenance of the accelerator.

  6. A computational investigation of the red and blue shifts in hydrogen ...

    Indian Academy of Sciences (India)

    MITRADIP Das

    Keywords. Hydrogen bonding; blue shift; red shift; mulliken atomic charge. 1. Introduction ... to the most acceptable theory and has been explained further by Joseph and ... sity transfer from H to Y, an evidence of “anti-hydrogen bonds”.10.

  7. Hydrogen pick-up effect on the deformation characteristics of the 20 steel

    International Nuclear Information System (INIS)

    Steklov, O.I.; Perunov, B.Vs.; Krovyakova, V.M.

    1977-01-01

    An experiment aimed at ascertaining the possibility of using plasticity characteristis as a criterion of the resistance of a material to slow failure through hydrogenation is set up in a manner to permit an evaluation of the individual effects of mechanical stresses hydrogenation medium and their combined action upon the plasticity characteristics. It is shown that the variation of the rupturing load for hydrogenated specimens of grade 20 steel, held under load, takes place on the initial holding stage, after which the changes in the plasticity characteritics are immaterial. In consequence, the deformation characteristics allow no judgement to be made on the resistance to slow cracking of grade 20 steel due to hydrogenation

  8. Measurement of the Neutron Slowing-Down Time Distribution at 1.46 eV and its Space Dependence in Water

    International Nuclear Information System (INIS)

    Moeller, E.

    1965-12-01

    The use of the time dependent reaction rate method for the measurement of neutron slowing-down time distributions in hydrogen has been analyzed and applied to the case of sloping down in water. Neutrons with energies of about 1 MeV were slowed down, and the time-dependent neutron density at 1.46 eV and its space dependence was measured with a time resolution of 0.042 μs. The results confirm the well known theory for time-dependent slowing down in hydrogen. The space dependence of the distributions is well described by the P 1 -calculations by Claesson

  9. Measurement of the Neutron Slowing-Down Time Distribution at 1.46 eV and its Space Dependence in Water

    Energy Technology Data Exchange (ETDEWEB)

    Moeller, E

    1965-12-15

    The use of the time dependent reaction rate method for the measurement of neutron slowing-down time distributions in hydrogen has been analyzed and applied to the case of sloping down in water. Neutrons with energies of about 1 MeV were slowed down, and the time-dependent neutron density at 1.46 eV and its space dependence was measured with a time resolution of 0.042 {mu}s. The results confirm the well known theory for time-dependent slowing down in hydrogen. The space dependence of the distributions is well described by the P{sub 1}-calculations by Claesson.

  10. Slow oscillation amplitudes and up-state lengths relate to memory improvement.

    Directory of Open Access Journals (Sweden)

    Dominik P J Heib

    Full Text Available There is growing evidence of the active involvement of sleep in memory consolidation. Besides hippocampal sharp wave-ripple complexes and sleep spindles, slow oscillations appear to play a key role in the process of sleep-associated memory consolidation. Furthermore, slow oscillation amplitude and spectral power increase during the night after learning declarative and procedural memory tasks. However, it is unresolved whether learning-induced changes specifically alter characteristics of individual slow oscillations, such as the slow oscillation up-state length and amplitude, which are believed to be important for neuronal replay. 24 subjects (12 men aged between 20 and 30 years participated in a randomized, within-subject, multicenter study. Subjects slept on three occasions for a whole night in the sleep laboratory with full polysomnography. Whereas the first night only served for adaptation purposes, the two remaining nights were preceded by a declarative word-pair task or by a non-learning control task. Slow oscillations were detected in non-rapid eye movement sleep over electrode Fz. Results indicate positive correlations between the length of the up-state as well as the amplitude of both slow oscillation phases and changes in memory performance from pre to post sleep. We speculate that the prolonged slow oscillation up-state length might extend the timeframe for the transfer of initial hippocampal to long-term cortical memory representations, whereas the increase in slow oscillation amplitudes possibly reflects changes in the net synaptic strength of cortical networks.

  11. Response of electret dosemeter to slow neutrons

    International Nuclear Information System (INIS)

    Ghilardi, A.J.P.; Pela, C.A.; Zimmerman, R.L.

    1987-01-01

    The response of electret dosemeter to slow neutrons exposure is cited, mentioning the preparation and the irradiation of dosemeter with Am-Be source. Some theory considerations about the response of electret dosemeter to slow and fast neutrons are also presented. (C.G.C.) [pt

  12. Tandem queue with server slow-down

    NARCIS (Netherlands)

    Miretskiy, D.I.; Scheinhardt, W.R.W.; Mandjes, M.R.H.

    2007-01-01

    We study how rare events happen in the standard two-node tandem Jackson queue and in a generalization, the socalled slow-down network, see [2]. In the latter model the service rate of the first server depends on the number of jobs in the second queue: the first server slows down if the amount of

  13. Slow-light pulses in moving media

    International Nuclear Information System (INIS)

    Fiurasek, J.; Leonhardt, U.; Parentani, R.

    2002-01-01

    Slow light in moving media reaches a counterintuitive regime when the flow speed of the medium approaches the group velocity of light. Pulses can penetrate a region where a counterpropagating flow exceeds the group velocity. When the counterflow slows down, pulses are reflected

  14. Can fast and slow intelligence be differentiated?

    NARCIS (Netherlands)

    Partchev, I.; de Boeck, P.

    2012-01-01

    Responses to items from an intelligence test may be fast or slow. The research issue dealt with in this paper is whether the intelligence involved in fast correct responses differs in nature from the intelligence involved in slow correct responses. There are two questions related to this issue: 1.

  15. Slow Movement/Slow University: Critical Engagements. Introduction to the Thematic Section

    Directory of Open Access Journals (Sweden)

    Maggie O'Neill

    2014-09-01

    Full Text Available This thematic section emerged from two seminars that took place at Durham University in England in November 2013 and March 2014 on the possibilities for thinking through what a change movement towards slow might mean for the University. Slow movements have emerged in relation to a number of topics: Slow food, Citta slow and more recently, slow science. What motivated us in the seminars was to explore how far these movements could help us address the acceleration and intensification of work within our own and other universities, and indeed, what new learning, research, philosophies, practices, structures and governance might emerge. This editorial introduction presents the concept of the "slow university" and introduces our critical engagements with slow. The articles presented here interrogate the potentialities, challenges, problems and pitfalls of the slow university in an era of corporate culture and management rationality. URN: http://nbn-resolving.de/urn:nbn:de:0114-fqs1403166

  16. Pad B Liquid Hydrogen Storage Tank

    Science.gov (United States)

    Hall, Felicia

    2007-01-01

    Kennedy Space Center is home to two liquid hydrogen storage tanks, one at each launch pad of Launch Complex 39. The liquid hydrogen storage tank at Launch Pad B has a significantly higher boil off rate that the liquid hydrogen storage tank at Launch Pad A. This research looks at various calculations concerning the at Launch Pad B in an attempt to develop a solution to the excess boil off rate. We will look at Perlite levels inside the tank, Boil off rates, conductive heat transfer, and radiant heat transfer through the tank. As a conclusion to the research, we will model the effects of placing an external insulation to the tank in order to reduce the boil off rate and increase the economic efficiency of the liquid hydrogen storage tanks.

  17. Electron transfer to sulfides:

    International Nuclear Information System (INIS)

    Meneses, Ana Belen; Antonello, Sabrina; Arevalo, Maria Carmen; Maran, Flavio

    2005-01-01

    The problem of characterizing the steps associated with the dissociative reduction of sulfides has been addressed. The electrochemical reduction of diphenylmethyl para-methoxyphenyl sulfide in N,N-dimethylformamide, on both glassy carbon and mercury electrodes, was chosen as a test system. The electrode process involves the slow heterogeneous outer-sphere electron transfer to the sulfide, the fast cleavage of the C-S bond, the reduction of the ensuing carbon radical, and the self-protonation triggered by the generation of the strong base Ph 2 CH - . The latter reaction is rather slow, in agreement with the large intrinsic barriers characterizing proton transfers between CH-acids and carbon bases. The dissociative reduction was studied in the presence of an exogenous acid. The results, obtained by convolution analysis, point to a stepwise DET mechanism in which the ET step is accompanied by rather large reorganization energy. Similar results were obtained on both electrode materials. Analysis of the heterogeneous electron transfer and associated C-S bond cleavage indicate that the reduction of this and other sulfides lies between the stepwise dissociative electron transfers leading to the formation of stiff π* radical anions and those going through the intermediacy of loose σ* radical anions

  18. Anomalously deep penetration of hydrogen into niobium under action of pulse high temperature hydrogen plasma

    International Nuclear Information System (INIS)

    Didyk, A.Yu.

    2011-01-01

    The method of elastic recoil detection (ERD) has been used for the study of storage and redistribution processes of hydrogen atoms under the influence of pulse high temperature hydrogen plasma obtained using the 'Plasma Focus' PF-4 set-up in three high purity niobium foils. It was established that with an increase of number of PF-4 set-up pulses there occur spreading and transfer of implanted hydrogen atoms to large depths in three Nb-foils which are significantly larger than the projected range of hydrogen ions (with the velocity ∼ 10 8 cm/s). The maximum hydrogen concentration up to 60 at. % is reached in the nearest to Ph-4 surface of the third Nb-foil at 20 impulses of the Ph-4 set-up. The observed phenomenon can be described by transfer of implanted hydrogen atoms under the action of powerful shock waves, created by pulse hydrogen plasma and (or) by accelerating hydrogen atom diffusion under the influence of compression straining wave at the front of the shock wave at redistribution of hydrogen atoms at large depths. Similar behavior was discovered and described also in series of nickel, vanadium, niobium and tantalum foils (two or three foils and more in a series) including series of foils from heterogeneous (different) materials, which were studied, too

  19. Nickel brittling by hydrogen. Temperature effect

    International Nuclear Information System (INIS)

    Lapitz, P.A; Fernandez, S; Alvarez, M.G

    2006-01-01

    The results of a study on the effect of different variables on the susceptibility to brittling by hydrogen and the velocity of propagation of fissures in nickel wire (99.7% purity) are described. The hydrogen load was carried out by cathodic polarization in H 2 SO 4 0.5m solution. The susceptibility to brittling by hydrogen was determined with traction tests at slow deformation speed and constant cathodic potential, and the later observation of the fracture surface by scanning electron microscopy. The variables studied were: applied cathodic overpower, speed of initial deformation and temperature. The results showed that the speed of fissure propagation in the nickel by brittleness from hydrogen is a function of the applied potential and the speed of deformation used. Without tension, the hydrogen load by cathodic polarization at room temperature leads to the formation of cavities similar to those observed when the hydrogenation is performed in the presence of gaseous hydrogen at high pressure and temperature (CW)

  20. Hydrogen alternatives for a regional upgrader

    International Nuclear Information System (INIS)

    Bailey, R.T.; Padamsey, R.

    1991-01-01

    For a proposed regional upgrader in Alberta, hydrogen will be needed to upgrade the bitumen and heavy oil to be processed by that facility. The upgrader will rely on high conversion hydrocracking which consumes 3.4 wt % hydrogen to produce a 106% volume yield of high quality synthetic crude. The costs of producing hydrogen via steam reforming of methane, partial oxidation of coal or upgrading residues, and electrolysis are compared, showing that steam reforming is the cheapest. However, an even cheaper source of hydrogen is available in the Edmonton and Fort Saskatchewan area as byproducts from petrochemical plants. An economic analysis is presented of a proposed scheme to capture, purify, compress, and transfer hydrogen from one or two such plants to a nearby regional upgrader. The two plants could supply a total of 126.6 million ft 3 /d of hydrogen at a total installed capital cost of about half of that of a steam reforming plant of equivalent size. When operating costs are added (including the cost of replacing the hydrogen, currently used as fuel at the two plants, with natural gas), the total cost of hydrogen is substantially less than the costs for a hydrogen plant within the upgrader. 3 refs., 5 figs., 4 tabs

  1. Thermal neutron diffusion parameters dependent on the flux energy distribution in finite hydrogenous media

    International Nuclear Information System (INIS)

    Drozdowicz, K.

    1999-01-01

    Macroscopic parameters for a description of the thermal neutron transport in finite volumes are considered. A very good correspondence between the theoretical and experimental parameters of hydrogenous media is attained. Thermal neutrons in the medium possess an energy distribution, which is dependent on the size (characterized by the geometric buckling) and on the neutron transport properties of the medium. In a hydrogenous material the thermal neutron transport is dominated by the scattering cross section which is strongly dependent on energy. A monoenergetic treatment of the thermal neutron group (admissible for other materials) leads in this case to a discrepancy between theoretical and experimental results. In the present paper the theoretical definitions of the pulsed thermal neutron parameters (the absorption rate, the diffusion coefficient, and the diffusion cooling coefficient) are based on Nelkin's analysis of the decay of a neutron pulse. Problems of the experimental determination of these parameters for a hydrogenous medium are discussed. A theoretical calculation of the pulsed parameters requires knowledge of the scattering kernel. For thermal neutrons it is individual for each hydrogenous material because neutron scattering on hydrogen nuclei bound in a molecule is affected by the molecular dynamics (characterized with internal energy modes which are comparable to the incident neutron energy). Granada's synthetic model for slow-neutron scattering is used. The complete up-dated formalism of calculation of the energy transfer scattering kernel after this model is presented in the paper. An influence of some minor variants within the model on the calculated differential and integral neutron parameters is shown. The theoretical energy-dependent scattering cross section (of Plexiglas) is compared to experimental results. A particular attention is paid to the calculation of the diffusion cooling coefficient. A solution of an equation, which determines the

  2. Destructive hydrogenation

    Energy Technology Data Exchange (ETDEWEB)

    Terrisse, H; Dufour, L

    1929-01-21

    Oils of high boiling point, e.g. gas oil, lamp oil, schist oil, brown coal tar etc., are converted into motor benzine by heating them at 200 to 500/sup 0/C under pressure of 5 to 40 kilograms/cm/sup 2/ in the presence of ferrous chloride and gases such as hydrogen, or water gas, the desulfurization of the oils proceeding simultaneously. One kilogram of lamp oil and 100 g. ferrous chloride are heated in an autoclave in the presence of water gas under a pressure of 18 kg/cm/sup 2/ to 380 to 400/sup 0/C. The gaseous products are allowed to escape intermittently and are replaced by fresh water gas. A product distilling between 35 and 270/sup 0/C is obtained.

  3. 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)

  4. Anelastic mechanical loss spectrometry of hydrogen in austenitic stainless steels

    International Nuclear Information System (INIS)

    Yagodzinskyy, Y.; Andronova, E.; Ivanchenko, M.; Haenninen, H.

    2009-01-01

    Atomic distribution of hydrogen, its elemental diffusion jumps and its interaction with dislocations in a number of austenitic stainless steels are studied with anelastic mechanical loss (AML) spectrometry in combination with the hydrogen thermal desorption method. Austenitic stainless steels of different chemical composition, namely, AISI 310, AISI 201, and AISI 301LN, as well as LDX 2101 duplex stainless steel are studied to clarify the role of different alloying elements on the hydrogen behavior. Activation analyses of the hydrogen Snoek-like peaks are performed with their decomposition to sets of Gaussian components. Fine structure of the composite hydrogen peaks is analyzed under the assumption that each component corresponds to diffusion transfer of hydrogen between octahedral positions with certain atomic compositions of the nearest neighbouring lattice sites. An additional component originating from hydrogen-dislocation interaction is considered. Binding energies for hydrogen-dislocation interaction are also estimated for the studied austenitic stainless steels.

  5. Negative meson capture in hydrogen

    International Nuclear Information System (INIS)

    Baird, T.J.

    1977-01-01

    The processes of deexcitation and capture of negative mesons and hadrons in atomic hydrogen are investigated. Only slow collisions in which the projectile-atom relative velocity is less than one atomic unit are considered, and the motion of the incident particle is treated classically. For each classical trajectory the probability of ionizing the hydrogen atom is determined, together with the energy spectrum of the emitted electron. Ionization probabilities are calculated using the time-dependent formulation of the perturbed stationary state method. Exact two-center electronic wave functions are used for both bound and continuum states. The total ionization cross section and electron energy spectrum have been calculated for negative muons, kaons and antiprotons at incident relative velocities between 0.04 and 1.0 atomic units. The electron energy spectrum has a sharp peak for electron kinetic energies on the order of 10 -3 Rydbergs. The ionization process thus favors the emission of very slow electrons. The cross section for ionization with capture of the incident particle was calculated for relative kinetic energies greater than 1.0 Rydberg. Since ionization was found to occur with the emission of electrons of nearly zero kinetic energy, the fraction of ionizing collisions which result in capture decreases very rapidly with projectile kinetic energy. The energy distributions of slowed down muons and hadrons were also computed. These distributions were used together with the capture cross section to determine the distribution of kinetic energies at which capture takes place. It was found that most captures occur for kinetic energies slightly less than 1.0 Rydbergs with relatively little capture at thermal energies. The captured particles therefore tend to go into very large and loosely found orbits with binding energies less than 0.1 Rydbergs

  6. Basic tuning of hydrogen powered car and artificial intelligent prediction of hydrogen engine characteristics

    Energy Technology Data Exchange (ETDEWEB)

    Ho, Tien [School of Engineering, University of Tasmania, GPO Box 252-65, Hobart, Tasmania, 7001 (Australia); Karri, Vishy [Australian College of Kuwait, P.O. Box 1411, Safat 13015 (Kuwait)

    2010-09-15

    Many studies of renewable energy have shown hydrogen is one of the major green energy in the future. This has lead to the development of many automotive application of using hydrogen as a fuel especially in internal combustion engine. Nonetheless, there has been a slow growth and less knowledge details in building up the prototype and control methodology of the hydrogen internal combustion engine. In this paper, The Toyota Corolla 4 cylinder, 1.8l engine running on petrol was systematically modified in such a way that it could be operated on either gasoline or hydrogen at the choice of the driver. Within the scope of this project, several ancillary instruments such as a new inlet manifold, hydrogen fuel injection, storage system and leak detection safety system were implemented. Attention is directed towards special characteristics related to the basic tuning of hydrogen engine such as: air to fuel ratio operating conditions, ignition timing and injection timing in terms of different engine speed and throttle position. Based on the experimental data, a suite of neural network models were tested to accurately predict the effect of different engine operating conditions (speed and throttle position) on the hydrogen powered car engine characteristics. Predictions were found to be {+-}3% to the experimental values for all of case studies. This work provided better understanding of the effect of hydrogen engine characteristic parameters on different engine operating conditions. (author)

  7. The cryogenic source of slow monochromatic positrons

    International Nuclear Information System (INIS)

    Meshkov, I.N.; Pavlov, V.N.; Sidorin, A.O.; Yakovenko, S.L.

    2008-01-01

    The cryogenic source of slow monochromatic positrons based on the 22 Na isotope has been designed and constructed at JINR. Positrons emitted from radioactive source 22 Na have a very broad energy spectrum up to 0.5 MeV. To generate monochromatic beam of slow positrons the solid neon is used as a moderator. The solid neon allows forming slow positron beam of the energy of 1.2 eV at the spectrum width of 1 eV. The efficiency of moderation is 1 % of total positron flux

  8. Dystonia Associated with Idiopathic Slow Orthostatic Tremor

    Directory of Open Access Journals (Sweden)

    Christopher Kobylecki

    2016-02-01

    Full Text Available Background: We aimed to characterize the clinical and electrophysiological features of patients with slow orthostatic tremor.Case Report: The clinical and neurophysiological data of patients referred for lower limb tremor on standing were reviewed. Patients with symptomatic or primary orthostatic tremor were excluded. Eight patients were identified with idiopathic slow 4–8 Hz orthostatic tremor, which was associated with tremor and dystonia in cervical and upper limb musculature. Coherence analysis in two patients showed findings different to those seen in primary orthostatic tremor.Discussion: Slow orthostatic tremor may be associated with dystonia and dystonic tremor.

  9. Revealing the cluster of slow transients behind a large slow slip event.

    Science.gov (United States)

    Frank, William B; Rousset, Baptiste; Lasserre, Cécile; Campillo, Michel

    2018-05-01

    Capable of reaching similar magnitudes to large megathrust earthquakes [ M w (moment magnitude) > 7], slow slip events play a major role in accommodating tectonic motion on plate boundaries through predominantly aseismic rupture. We demonstrate here that large slow slip events are a cluster of short-duration slow transients. Using a dense catalog of low-frequency earthquakes as a guide, we investigate the M w 7.5 slow slip event that occurred in 2006 along the subduction interface 40 km beneath Guerrero, Mexico. We show that while the long-period surface displacement, as recorded by Global Positioning System, suggests a 6-month duration, the motion in the direction of tectonic release only sporadically occurs over 55 days, and its surface signature is attenuated by rapid relocking of the plate interface. Our proposed description of slow slip as a cluster of slow transients forces us to re-evaluate our understanding of the physics and scaling of slow earthquakes.

  10. The Solution of a Velocity-Dependent Slowing-Down Problem Using Case's Eigenfunction Expansion

    Energy Technology Data Exchange (ETDEWEB)

    Claesson, A

    1964-11-15

    The slowing-down of neutrons in a hydrogenous moderator is calculated assuming a plane source of monoenergetic neutrons. The scattering is regarded as spherically symmetric, but it is shown that a generalization to anisotropy is possible. The cross-section is assumed to be constant. The virgin neutrons are separated out, and it follows that the distribution of the remaining neutrons can be obtained by using an expansion in the eigenfunctions given by Case for the velocity-independent problem.

  11. Experimental study of combustion behavior during continuous hydrogen injection with an operating igniter

    Energy Technology Data Exchange (ETDEWEB)

    Liang, Zhe, E-mail: zhe.liang@cnl.ca; Clouthier, Tony; Thomas, Bryan

    2016-03-15

    Highlights: • Combustion during continuous hydrogen release. • Periodical slow burning with a low release rate or weak turbulence. • Fast global burning with stratified hydrogen or strong turbulence. • Initiation of standing flame. - Abstract: Deliberate hydrogen ignition systems have been widely installed in many water cooled nuclear power plants to mitigate hydrogen risk in a loss-of-coolant accident. Experimental studies were performed at a large scale facility to simulate a post-accident containment scenario, where hydrogen is released into a volume (not closed) with an energized igniter. The test chamber had a volume of 60 m{sup 3}. The test parameters included hydrogen injection mass flow rate, injection elevation, igniter elevation, and level of turbulence in the chamber. Several dynamic combustion behaviors were observed. Under certain conditions, slow burning occurred periodically or locally without significant pressurization, and the hydrogen concentration could be maintained near the lean hydrogen flammability limit or a steady hydrogen distribution profile could be formed with a maximum hydrogen concentration less than 9 vol.%. Under other conditions, a global fast burn or a burn moving along the hydrogen dispersion pathway was observed and was followed by an immediate initiation of a standing flame. The study provided a better understanding of the dynamic combustion behavior induced by a deliberate igniter during a continuous hydrogen release. The data can be used for validation of combustion models used for hydrogen safety analysis.

  12. Hydrogen storage in complex hydrides

    International Nuclear Information System (INIS)

    Lupu, D.; Biris, A. R.; Misan, I.

    2005-01-01

    Full text: Hydrogen storage is a key enabling technology for the advancement of hydrogen and fuel cell power technologies in mobile and stationary applications. A relevant role of the fuel cell powered vehicles on the market of the transportation systems will be achieved only if the research and development of on-board vehicular hydrogen storage are able to allow a driving range of at least 500 km. The on-board hydrogen storage systems are more challenging due to the space, weight and cost limitations. This range of autonomy between refueling requires materials able to store at least 6.5% weight hydrogen, available at moderate pressures, at the working temperature of the fuel cells and with acceptable cycling stability. The intensive research on the hydrogen storage in alloys and intermetallic of the LaNi 5 , FeTi or Laves phase type compounds, which started more than three decades ago did not resulted in materials of more than about 3% H storage capacities. The 7.5% H content of the Mg hydride is still of attracting interest but though the absorption has been achieved at lower temperatures by ball milling magnesium with various amounts of nickel, the desorption can not be attained at 1 bar H 2 below 280 deg. C and the kinetics of the process is too slow. In the last decade, the attention is focused on another class of compounds, the complex hydrides of aluminum with alkali metals (alanates), due to their high hydrogen content. It was found that doping with Ti-based catalysts improve the hydrogenation/dehydrogenation conditions of NaAlH 4 . Later on, it was shown that ball milling with solid state catalysts greatly improve the hydrogen desorption kinetics of NaAlH 4 , and this also helps to the rehydriding process. The hydrogen desorption from NaAlH 4 occurs in three steps, it shows a reversible storage capacity of 5.5% H and this led to further research work for a better knowledge of its application relating properties. In this work, ball milling experiments on Na

  13. VERY SLOW SPEED AXIAL MOTION RELUCTANCE MOTOR

    African Journals Online (AJOL)

    Dr Obe

    1984-09-01

    Sep 1, 1984 ... VERY SLOW SPEED AXIAL MOTION RELUCTANCE MOTOR by. L. A. Agu ... order as that of the screw-thread motor can be obtained. LIST OF .... The n stator have equal non- magnetic spacers .... induction motor. An.

  14. Slow and Fast Light, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — In response to the NASA Small Business Innovation Research (SBIR) Program 2015 Phase I Solicitation S3.08: Slow and Fast Light, Torch Technologies in partnership...

  15. Experimental demonstration of spinor slow light

    Science.gov (United States)

    Lee, Meng-Jung; Ruseckas, Julius; Lee, Chin-Yuan; Kudriašov, Viačeslav; Chang, Kao-Fang; Cho, Hung-Wen; JuzeliÅ«nas, Gediminas; Yu, Ite A.

    2016-03-01

    Over the last decade there has been a continuing interest in slow and stored light based on the electromagnetically induced transparency (EIT) effect, because of their potential applications in quantum information manipulation. However, previous experimental works all dealt with the single-component slow light which cannot be employed as a qubit. In this work, we report the first experimental demonstration of two-component or spinor slow light (SSL) using a double tripod (DT) atom-light coupling scheme. The oscillations between the two components, similar to the Rabi oscillation of a two-level system or a qubit, were observed. Single-photon SSL can be considered as two-color qubits. We experimentally demonstrated a possible application of the DT scheme as quantum memory and quantum rotator for the two-color qubits. This work opens up a new direction in the slow light research.

  16. Elastic scattering of slow positrons by helium

    International Nuclear Information System (INIS)

    Amusia, M.Ya.; Cherepkov, N.A.; Chernysheva, L.V.; Shapiro, S.G.

    1976-01-01

    The s-, p-, d- and f-wave phaseshifts for elastic scattering of slow positrons by He are calculated using a simplified version of the random phase approximation with exchange, with virtual positronium formation effect taken into account. (author)

  17. A tilted transversely isotropic slowness surface approximation

    KAUST Repository

    Stovas, A.; Alkhalifah, Tariq Ali

    2012-01-01

    for the vertical slowness that is highly accurate for all practical purposes. It also reveals some insights into the anisotropy parameter dependency of the dispersion relation including the low impact that the anelliptic parameter has on the vertical placement

  18. Comparison of the efficacy of conventional slow freezing and rapid cryopreservation methods for bovine embryos

    NARCIS (Netherlands)

    Wagtendonk-de Leeuw, van A.M.; Daas, den J.H.; Kruip, T.A.; Rail, W.F.

    1995-01-01

    Day 7 bovine morulae and early blastocysts were randomly assigned to one of four cryopreservation methods: (i) a modified conventional controlled slow freezing and stepwise dilution after thawing; and three methods which enable direct transfer of the embryo into the recipient upon thawing: (ii)

  19. Analysis of the servo-spill control for slow beam extraction

    International Nuclear Information System (INIS)

    Sato, Hikaru; Toyama, Takeshi; Marutsuka, Katsumi; Shirakata, Masashi.

    1994-01-01

    This report describes an analysis of servo-spill control system for the slow beam extraction from the KEK PS. Transfer function of extraction process is derived from measurement of the closed-loop characteristic using measured frequency response of each equipment. Result indicates the restriction of the present servo-spill control and give a guide line for the improvement. (author)

  20. Slow potentials in a melody recognition task.

    Science.gov (United States)

    Verleger, R; Schellberg, D

    1990-01-01

    In a previous study, slow negative shifts were found in the EEG of subjects listening to well-known melodies. The two experiments reported here were designed to investigate the variables to which these slow potentials are related. In the first experiment, two opposite hypotheses were tested: The slow shifts might express subjects' acquaintance with the melodies or, on the contrary, the effort invested to identify them. To this end, some of the melodies were presented in the rhythms of other melodies to make recognition more difficult. Further, melodies rated as very well-known and as very unknown were analysed separately. However, the slow shifts were not affected by these experimental variations. Therefore in the second experiment, on the one hand the purely physical parameters intensity and duration were varied, but this variation had no impact on the slow shifts either. On the other hand, recognition was made more difficult by monotonously repeating the pitch of the 4th tone for the rest of some melodies. The slow negative shifts were enhanced with these monotonous melodies. This enhancement supports the "effort" hypothesis. Accordingly, the ofter shifts obtained in both experiments might likewise reflect effort. But since the task was not demanding, it is suggested that these constant shifts reflect the effort invested for coping with the entire underarousing situation rather than with the task. Frequently, slow eye movements occurred in the same time range as the slow potentials, resulting in EOG potentials spreading to the EEG recording sites. Yet results did not change substantially when the EEG recordings were corrected for the influence of EOG potentials.

  1. 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)

  2. Separation of rate processes for isotopic exchange between hydrogen and liquid water in packed columns 10

    International Nuclear Information System (INIS)

    Butler, J.P.; Hartog, J. den; Goodale, J.W.; Rolston, J.H.

    1977-01-01

    Wetproofed platinum catalysts in packed columns promote isotopic exchange between counter-current streams of hydrogen saturated with water vapour and liquid water. The net rate of deuterium transfer from isotopically enriched hydrogen has been measured and separated into two rate processes involving the transfer of deuterium from hydrogen to water vapour and from water vapour to liquid. These are compared with independent measurements of the two rate processes to test the two-step successive exchange model for trickle bed reactors. The separated transfer rates are independent of bed height and characterize the deuterium concentrations of each stream along the length of the bed. The dependences of the transfer rates upon hydrogen and liquid flow, hydrogen pressure, platinum loading and the effect of dilution of the hydrophobic catalyst with inert hydrophilic packing are reported. The results indicate a third process may be important in the transfer of deuterium between hydrogen and liquid water. (author)

  3. Hydrogen behavior in ice condenser containments

    Energy Technology Data Exchange (ETDEWEB)

    Lundstroem, P.; Hongisto, O. [Power Plant Lab., Helsinki (Finland); Theofanous, T.G. [Univ. of California, Santa Barbara, CA (United States)] [and others

    1995-09-01

    A new hydrogen management strategy is being developed for the Loviisa ice condenser containment. The strategy relies on containment-wide natural circulations that develop, once the ice condenser doors are forced open, to effectively produce a well-mixed behavior, and a correspondingly slow rise in hydrogen concentration. Levels can then be kept low by a distributed catalytic recombiner system, and (perhaps) an igniter system as a backup, while the associated energy releases can be effectively dissipated in the ice bed. Verification and fine-tuning of the approach is carried out experimentally in the VICTORIA facility and by associated scaling/modelling studies. VICTORIA represents an 1/15th scale model of the Loviisa containment, hydrogen is simulated by helium, and local concentration measurements are obtained by a newly developed instrument specifically for this purpose, called SPARTA. This paper is focused on experimental results from several key experiments that provide a first delineation of key behaviors.

  4. Catalyst support effects on hydrogen spillover

    Science.gov (United States)

    Karim, Waiz; Spreafico, Clelia; Kleibert, Armin; Gobrecht, Jens; Vandevondele, Joost; Ekinci, Yasin; van Bokhoven, Jeroen A.

    2017-01-01

    Hydrogen spillover is the surface migration of activated hydrogen atoms from a metal catalyst particle, on which they are generated, onto the catalyst support. The phenomenon has been much studied and its occurrence on reducible supports such as titanium oxide is established, yet questions remain about whether hydrogen spillover can take place on nonreducible supports such as aluminium oxide. Here we use the enhanced precision of top-down nanofabrication to prepare controlled and precisely tunable model systems that allow us to quantify the efficiency and spatial extent of hydrogen spillover on both reducible and nonreducible supports. We place multiple pairs of iron oxide and platinum nanoparticles on titanium oxide and aluminium oxide supports, varying the distance between the pairs from zero to 45 nanometres with a precision of one nanometre. We then observe the extent of the reduction of the iron oxide particles by hydrogen atoms generated on the platinum using single-particle in situ X-ray absorption spectromicroscopy applied simultaneously to all particle pairs. The data, in conjunction with density functional theory calculations, reveal fast hydrogen spillover on titanium oxide that reduces remote iron oxide nanoparticles via coupled proton-electron transfer. In contrast, spillover on aluminium oxide is mediated by three-coordinated aluminium centres that also interact with water and that give rise to hydrogen mobility competing with hydrogen desorption; this results in hydrogen spillover about ten orders of magnitude slower than on titanium oxide and restricted to very short distances from the platinum particle. We anticipate that these observations will improve our understanding of hydrogen storage and catalytic reactions involving hydrogen, and that our approach to creating and probing model catalyst systems will provide opportunities for studying the origin of synergistic effects in supported catalysts that combine multiple functionalities.

  5. Containment air circulation for optimal hydrogen recombination

    International Nuclear Information System (INIS)

    Spinks, N.; Krause, M.

    1997-01-01

    An accepted first-line defense for hydrogen mitigation is to design for the hydrogen to be rapidly mixed with the containment atmosphere and diluted to below flammability concentrations. Then, as hydrogen continues to be produced in the longer term, recombiners can be used to remove hydrogen: recombiners can be located in forced-air ducts or passive recombiners can be distributed within containment and the heat of recombination used to promote local air circulation. However, this principle does not eliminate the possibility of high hydrogen concentrations at locations removed from the recombiners. An improvement on this strategy is to arrange for a specific, buoyancy-driven, overall circulation of the containment atmosphere such that the recombiners can be located within the recirculation flow, immediately downstream of the hydrogen source. This would make the mixing process more predictable and solve the mass-transfer problem associated with distributed recombiners. Ideally, the recombiners would be located just above the hydrogen source so that the heat of recombination would assist the overall circulation. In this way, the hydrogen would be removed as close as possible to the source, thereby minimizing the amount of hydrogen immediately downstream of the source and reducing the hydrogen concentration to acceptable levels at other locations. Such a strategy requires the containment volume to be divided into an upflow path, past the hydrogen source and the recombiner, and a downflow path to complete the circuit. The flow could be generated actively using fans or passively using buoyancy forces arising from the difference in density of gases in the upfiow and downflow paths; the gases in the downflow path being cooled at an elevated heat sink. (author)

  6. Hydrogen Plasma Processing of Iron Ore

    Science.gov (United States)

    Sabat, Kali Charan; Murphy, Anthony B.

    2017-06-01

    Iron is currently produced by carbothermic reduction of oxide ores. This is a multiple-stage process that requires large-scale equipment and high capital investment, and produces large amounts of CO2. An alternative to carbothermic reduction is reduction using a hydrogen plasma, which comprises vibrationally excited molecular, atomic, and ionic states of hydrogen, all of which can reduce iron oxides, even at low temperatures. Besides the thermodynamic and kinetic advantages of a hydrogen plasma, the byproduct of the reaction is water, which does not pose any environmental problems. A review of the theory and practice of iron ore reduction using a hydrogen plasma is presented. The thermodynamic and kinetic aspects are considered, with molecular, atomic and ionic hydrogen considered separately. The importance of vibrationally excited hydrogen molecules in overcoming the activation energy barriers, and in transferring energy to the iron oxide, is emphasized. Both thermal and nonthermal plasmas are considered. The thermophysical properties of hydrogen and argon-hydrogen plasmas are discussed, and their influence on the constriction and flow in the of arc plasmas is considered. The published R&D on hydrogen plasma reduction of iron oxide is reviewed, with both the reduction of molten iron ore and in-flight reduction of iron ore particles being considered. Finally, the technical and economic feasibility of the process are discussed. It is shown that hydrogen plasma processing requires less energy than carbothermic reduction, mainly because pelletization, sintering, and cokemaking are not required. Moreover, the formation of the greenhouse gas CO2 as a byproduct is avoided. In-flight reduction has the potential for a throughput at least equivalent to the blast furnace process. It is concluded that hydrogen plasma reduction of iron ore is a potentially attractive alternative to standard methods.

  7. Spectroscopic studies of hydrogen atom and molecule collisions: Performance report

    International Nuclear Information System (INIS)

    Kielkopf, J.

    1986-01-01

    This research is concerned with spectroscopic measurements of collisions in atomic and molecular hydrogen in order to clarify the basic physical processes that take place during radiative collisions and to provide experimental values for systems where the theoretical analysis is tractable. To this end, we proposed to measure from the cores to the far wings the profiles of the spectral lines of atomic hydrogen broadened by molecular hydrogen and noble gases, and to study energy transfer in the atom and molecule

  8. Heat Analysis of Liquid piston Compressor for Hydrogen Applications

    DEFF Research Database (Denmark)

    Kermani, Nasrin Arjomand; Rokni, Masoud

    2014-01-01

    A new hydrogen compression technology using liquid as the compression piston is investigated from heat transfer point of view. A thermodynamic model, simulating a single compression stroke, is developed to investigate the heat transfer phenomena inside the compression chamber. The model is develo......A new hydrogen compression technology using liquid as the compression piston is investigated from heat transfer point of view. A thermodynamic model, simulating a single compression stroke, is developed to investigate the heat transfer phenomena inside the compression chamber. The model...

  9. Intermolecular hydrogen bonds: From temperature-driven proton ...

    Indian Academy of Sciences (India)

    Abstract. We have combined neutron scattering and a range of numerical simulations to study hydrogen bonds in condensed matter. Two examples from a recent thesis will be presented. The first concerns proton transfer with increasing temperature in short inter- molecular hydrogen bonds [1,2]. These bonds have unique ...

  10. Slow brushing reduces heat pain in humans.

    Science.gov (United States)

    Liljencrantz, J; Strigo, I; Ellingsen, D M; Krämer, H H; Lundblad, L C; Nagi, S S; Leknes, S; Olausson, H

    2017-08-01

    C-tactile (CT) afferents are unmyelinated low-threshold mechanoreceptors optimized for signalling affective, gentle touch. In three separate psychophysical experiments, we examined the contribution of CT afferents to pain modulation. In total, 44 healthy volunteers experienced heat pain and CT optimal (slow brushing) and CT sub-optimal (fast brushing or vibration) stimuli. Three different experimental paradigms were used: Concurrent application of heat pain and tactile (slow brushing or vibration) stimulation; Slow brushing, applied for variable duration and intervals, preceding heat pain; Slow versus fast brushing preceding heat pain. Slow brushing was effective in reducing pain, whereas fast brushing or vibration was not. The reduction in pain was significant not only when the CT optimal touch was applied simultaneously with the painful stimulus but also when the two stimuli were separated in time. For subsequent stimulation, the pain reduction was more pronounced for a shorter time interval between brushing and pain. Likewise, the effect was more robust when pain was preceded by a longer duration of brush stimulation. Strong CT-related pain reduction was associated with low anxiety and high calmness scores obtained by a state anxiety questionnaire. Slow brushing - optimal for CT activation - is effective in reducing pain from cutaneous heating. The precise mechanisms for the pain relief are as yet unknown but possible mechanisms include inhibition of nociceptive projection neurons at the level of the dorsal horn as well as analgesia through cortical mechanisms. Slow brushing stimuli - optimal for activation of C-tactile fibres - can reduce pain from cutaneous heating. No such effect was seen with fast brushing or vibration. These observations indicate the role of C-tactile fibres in pain modulation. © 2017 European Pain Federation - EFIC®.

  11. Tunable hydrogen storage in magnesium-transition metal compounds: first-principles calculations

    NARCIS (Netherlands)

    Er, S.; Tiwari, Dhirendra; Tiwari, D.; de Wijs, Gilles A.; Brocks, G.

    2009-01-01

    Magnesium dihydride (MgH2) stores 7.7 wt % hydrogen but it suffers from a high thermodynamic stability and slow (de)hydrogenation kinetics. Alloying Mg with lightweight transition metals (TM) (=Sc,Ti,V,Cr) aims at improving the thermodynamic and kinetic properties. We study the structure and

  12. Analysis of a Hydrogen Isotope separation process based on a continuous hydrogen-water exchange on column Transitions of Hydrogen

    International Nuclear Information System (INIS)

    Hodor, I.

    1988-01-01

    The analysed system consists of two plane-parallel walls, a water film flows down a wall, a catalyst layer is disposed on the other, a water vapour-hydrogen mixture moves up between the walls. A mathematical treatment is presented which permits to calculate the overall transfer coefficients and other parameters of practical interest from the local differential equations. (author)

  13. Separation of hydrogen isotope by hydrogen-water exchange

    International Nuclear Information System (INIS)

    Isomura, Shohei; Kaetsu, Hayato; Nakane, Ryohei

    1979-01-01

    The deuterium exchange reaction between gaseous hydrogen and liquid water is studied by use of three kinds of trickle bed exchange columns packed with hydrophobic catalysts supporting platinum. All columns have the effective lengths of 30 cm. They are 17 mm, 30 mm, and 95 mm in diameters, respectively. The separation experiments are carried out by the once-through methods. The separation efficiencies of the columns are evaluated by the parameters such as the height equivalent to a theoretical plate (H. E. T. P.) and the mass transfer co-efficient. It is found that the operating condition of the exchange column is optimum when the superficial hydrogen flow velocity is 0.3 m/sec. (author)

  14. On novel mechanisms of slow ion induced electron emission

    International Nuclear Information System (INIS)

    Eder, H.

    2000-09-01

    The present work has contributed in new ways to the field of slow ion induced electron emission. First, measurements of the total electron yield γ for impact of slow singly and multiply charged ions on atomically clean polycrystalline gold and graphite have been made. The respective yields were determined by current measurements and measurements of the electron number statistics. A new mechanism for kinetic emission (KE) below the so called 'classical threshold' was found and discussed. For a given ion species and impact velocity a slight decrease of the yields was found for ion charge state q = 1 toward 3, but no significant differences in KE yields for higher q values. Comparison of the results from gold and graphite showed overall similar behavior, but for C+ a relatively strong difference was observed and ascribed to more effective electron promotion in the C-C- than in the C-Au system. Secondly, for the very specific system H0 on LiF we investigated single electron excitation processes under grazing incidence conditions. In this way long-range interactions of hydrogen atoms with the ionic crystal surface could be probed. Position- and velocity-dependent electron production rates were found which indicate that an electron promotion mechanism is responsible for the observed electron emission. Thirdly, in order to investigate the importance of plasmon excitation and -decay in slow ion induced electron emission, measurements of electron energy distributions from impact of singly and doubly charged ions on poly- and monocrystalline aluminum surfaces were performed. From the results we conclude that direct plasmon excitation by slow ions occurs due to the potential energy of the projectile in a quasi-resonant fashion. The highest relative plasmon intensities were found for impact of 5 keV Ne+ on Al(111) with 5 % of the total yield. For impact of H + and H 2 + characteristical differences were observed for Al(111) and polycrystalline aluminum. We show that

  15. 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)

  16. Slow electron contribution to inelastic reflection anisotropy

    International Nuclear Information System (INIS)

    Podsvirov, O.A.; Kuznetsov, Yu.A.

    1980-01-01

    Investigated is electron contribution with low energy (up to 1 keV) to the anisotropy of electron inelastic reflection (IRE) from silicon monocrystal (111) within 12-50 keV energy range of primary electrons. Experimental data on IRE anisotropy are presented: delay curves for silicon monocrystal, permitting to separate electrons with the energy up to 1 keV, dependences of IRE anisotropy on the energy of primary electrons for the systems - monocrystalline silicon-amorphous silicon film and delay curves for such systems (film thickness varies from 20 to 2000 A). Suggested is a phenomenologic model, permitting to take into account the contribution of slow electrons to IRE anisotropy: it is supposed, that three groups of electrons take part in the formation of the latter: elastic and inelastic reflected electrons, slow electrons, excited by primary electrons and slow electrons, generated by the reverse flow of the scattered electrons. Contribution of electrons, different by origin, to IRE anisotropy is evaluated in accordance with the experimental data on the basis of this model. It is stated, that slow electrons constitute approximately one half of the IRE anisotropy value, the contribution of both groups of slow electrons being approximately equal

  17. Human gamma oscillations during slow wave sleep.

    Directory of Open Access Journals (Sweden)

    Mario Valderrama

    Full Text Available Neocortical local field potentials have shown that gamma oscillations occur spontaneously during slow-wave sleep (SWS. At the macroscopic EEG level in the human brain, no evidences were reported so far. In this study, by using simultaneous scalp and intracranial EEG recordings in 20 epileptic subjects, we examined gamma oscillations in cerebral cortex during SWS. We report that gamma oscillations in low (30-50 Hz and high (60-120 Hz frequency bands recurrently emerged in all investigated regions and their amplitudes coincided with specific phases of the cortical slow wave. In most of the cases, multiple oscillatory bursts in different frequency bands from 30 to 120 Hz were correlated with positive peaks of scalp slow waves ("IN-phase" pattern, confirming previous animal findings. In addition, we report another gamma pattern that appears preferentially during the negative phase of the slow wave ("ANTI-phase" pattern. This new pattern presented dominant peaks in the high gamma range and was preferentially expressed in the temporal cortex. Finally, we found that the spatial coherence between cortical sites exhibiting gamma activities was local and fell off quickly when computed between distant sites. Overall, these results provide the first human evidences that gamma oscillations can be observed in macroscopic EEG recordings during sleep. They support the concept that these high-frequency activities might be associated with phasic increases of neural activity during slow oscillations. Such patterned activity in the sleeping brain could play a role in off-line processing of cortical networks.

  18. Magnon inflation: slow roll with steep potentials

    Energy Technology Data Exchange (ETDEWEB)

    Adshead, Peter [Department of Physics, University of Illinois at Urbana-Champaign,Urbana, IL 61801 (United States); Blas, Diego [Theoretical Physics Department, CERN,CH-1211 Geneva 23 (Switzerland); Burgess, C.P.; Hayman, Peter [Physics & Astronomy, McMaster University,Hamilton, ON, L8S 4M1 (Canada); Perimeter Institute for Theoretical Physics, Waterloo, Ontario N2L 2Y5 (Canada); Patil, Subodh P. [Department of Theoretical Physics, University of Geneva,24 Quai Ansermet, Geneva, CH-1211 (Switzerland)

    2016-11-04

    We find multi-scalar effective field theories (EFTs) that can achieve a slow inflationary roll despite having a scalar potential that does not satisfy G{sup ab}∂{sub a}V∂{sub b}V≪V{sup 2}/M{sub p}{sup 2} (where G{sub ab} is the target-space metric). They evade the usual slow-roll conditions on V because their kinetic energies are dominated by single-derivative terms rather than the usual two-derivative terms. Single derivatives dominate during slow roll and so do not require a breakdown of the usual derivative expansion that underpins calculational control in much of cosmology. The presence of such terms requires some sort of UV Lorentz-symmetry breaking during inflation (besides the usual cosmological breaking). Chromo-natural inflation provides one particular example of a UV theory that can generate the multi-field single-derivative terms we consider, and we argue that the EFT we find indeed captures the slow-roll conditions for its background evolution. We also show that our EFT can be understood as a multi-field generalization of the single-field Cuscuton models. The multi-field case introduces a new feature, however: the scalar kinetic terms define a target-space 2-form, F{sub ab}, whose antisymmetry gives new ways for slow roll to be achieved.

  19. Magnon Inflation: Slow Roll with Steep Potentials

    CERN Document Server

    Adshead, Peter; Burgess, C P; Hayman, Peter; Patil, Subodh P

    2016-01-01

    We find multi-scalar effective field theories (EFTs) that can achieve a slow inflationary roll despite having a scalar potential that does not satisfy the usual slow-roll condition (d V)^2 << V^2/Mp^2. They evade the usual slow-roll conditions on $V$ because their kinetic energies are dominated by single-derivative terms rather than the usual two-derivative terms. Single derivatives dominate during slow roll and so do not require a breakdown of the usual derivative expansion that underpins calculational control in much of cosmology. The presence of such terms requires some sort of UV Lorentz-symmetry breaking during inflation (besides the usual cosmological breaking). Chromo-natural inflation provides an example of a UV theory that can generate the multi-field single-derivative terms we consider, and we argue that the EFT we find indeed captures the slow-roll conditions for the background evolution for Chromo-natural inflation. We also show that our EFT can be understood as a multi-field generalization ...

  20. Comprehensive Understanding of Ductility Loss Mechanisms in Various Steels with External and Internal Hydrogen

    Science.gov (United States)

    Takakuwa, Osamu; Yamabe, Junichiro; Matsunaga, Hisao; Furuya, Yoshiyuki; Matsuoka, Saburo

    2017-11-01

    Hydrogen-induced ductility loss and related fracture morphologies are comprehensively discussed in consideration of the hydrogen distribution in a specimen with external and internal hydrogen by using 300-series austenitic stainless steels (Types 304, 316, 316L), high-strength austenitic stainless steels (HP160, XM-19), precipitation-hardened iron-based super alloy (A286), low-alloy Cr-Mo steel (JIS-SCM435), and low-carbon steel (JIS-SM490B). External hydrogen is realized by a non-charged specimen tested in high-pressure gaseous hydrogen, and internal hydrogen is realized by a hydrogen-charged specimen tested in air or inert gas. Fracture morphologies obtained by slow-strain-rate tensile tests (SSRT) of the materials with external or internal hydrogen could be comprehensively categorized into five types: hydrogen-induced successive crack growth, ordinary void formation, small-sized void formation related to the void sheet, large-sized void formation, and facet formation. The mechanisms of hydrogen embrittlement are broadly classified into hydrogen-enhanced decohesion (HEDE) and hydrogen-enhanced localized plasticity (HELP). In the HEDE model, hydrogen weakens interatomic bonds, whereas in the HELP model, hydrogen enhances localized slip deformations. Although various fracture morphologies are produced by external or internal hydrogen, these morphologies can be explained by the HELP model rather than by the HEDE model.

  1. Radial Matrix Elements of Hydrogen Atom and the Correspondence ...

    Indian Academy of Sciences (India)

    R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

    Hydrogen excited states—radial matrix element—corres- ... atoms, its availability, production, its spectras, and importance in astrophysics (Dupree ... far away revolving lazily around in a slow orbit like a distant planet in the solar system. As the electron orbit diameter grows rapidly, its energy also decreases rapidly. Currently ...

  2. 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

    Hydrogen is a promising energy source for the future economy due to its environmental friendliness. One of the important obstacles for the utilization of hydrogen as a fuel source for applications such as fuel cells is the storage of hydrogen. In the infrastructure of the expected hydrogen economy, hydrogen storage is one of the key enabling technologies. Although hydrogen possesses the highest gravimetric energy content (142 KJ/g) of all fuels, its volumetric energy density (8 MJ/L) is very low. It is desired to increase the volumetric energy density of hydrogen in a system to satisfy various applications. Research on hydrogen storage has been pursed for many years. Various storage technologies, including liquefaction, compression, metal hydride, chemical hydride, and adsorption, have been examined. Liquefaction and high pressure compression are not desired due to concerns related to complicated devices, high energy cost and safety. Metal hydrides and chemical hydrides have high gravimetric and volumetric energy densities but encounter issues because high temperature is required for the release of hydrogen, due to the strong bonding of hydrogen in the compounds. Reversibility of hydrogen loading and unloading is another concern. Adsorption of hydrogen on high surface area sorbents such as activated carbon and organic metal frameworks does not have the reversibility problem. But on the other hand, the weak force (primarily the van der Waals force) between hydrogen and the sorbent yields a very small amount of adsorption capacity at ambient temperature. Significant storage capacity can only be achieved at low temperatures such as 77K. The use of liquid nitrogen in a hydrogen storage system is not practical. Perhydrides are proposed as novel hydrogen storage materials that may overcome barriers slowing advances to a hydrogen fuel economy. In conventional hydrides, e.g. metal hydrides, the number of hydrogen atoms equals the total valence of the metal ions. One Li

  3. Neutron slowing-down time in matter

    Energy Technology Data Exchange (ETDEWEB)

    Chabod, Sebastien P., E-mail: sebastien.chabod@lpsc.in2p3.fr [LPSC, Universite Joseph Fourier Grenoble 1, CNRS/IN2P3, Institut Polytechnique de Grenoble, 38000 Grenoble (France)

    2012-03-21

    We formulate the neutron slowing-down time through elastic collisions in a homogeneous, non-absorbing, infinite medium. Our approach allows taking into account for the first time the energy dependence of the scattering cross-section as well as the energy and temporal distribution of the source neutron population in the results. Starting from this development, we investigate the specific case of the propagation in matter of a mono-energetic neutron pulse. We then quantify the perturbation on the neutron slowing-down time induced by resonances in the scattering cross-section. We show that a resonance can induce a permanent reduction of the slowing-down time, preceded by two discontinuities: a first one at the resonance peak position and an echo one, appearing later. From this study, we suggest that a temperature increase of the propagating medium in presence of large resonances could modestly accelerate the neutron moderation.

  4. Kinetic slow mode-type solitons

    Directory of Open Access Journals (Sweden)

    K. Baumgärtel

    2005-01-01

    Full Text Available One-dimensional hybrid code simulations are presented, carried out in order both to study solitary waves of the slow mode branch in an isotropic, collisionless, medium-β plasma (βi=0.25 and to test the fluid based soliton interpretation of Cluster observed strong magnetic depressions (Stasiewicz et al., 2003; Stasiewicz, 2004 against kinetic theory. In the simulations, a variety of strongly oblique, large amplitude, solitons are seen, including solitons with Alfvenic polarization, similar to those predicted by the Hall-MHD theory, and robust, almost non-propagating, solitary structures of slow magnetosonic type with strong magnetic field depressions and perpendicular ion heating, which have no counterpart in fluid theory. The results support the soliton-based interpretation of the Cluster observations, but reveal substantial deficiencies of Hall-MHD theory in describing slow mode-type solitons in a plasma of moderate beta.

  5. 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.)

  6. On the late-type components of slow novae and symbiotic stars

    International Nuclear Information System (INIS)

    Allen, D.A.

    1980-01-01

    It is argued that the various types of symbiotic stars and the slow novae are the same phenomena exhibiting a range of associated time-scales, the slow novae being of intermediate speed. Evidence is summarized showing that both types of object contain normal M giants or mira variables. This fact is at odds with currently fashionable single-star models for slow novae, according to which the M star is totally disrupted before the outburst. Spectral types of the late-type components are presented for nearly 80 symbiotic stars and slow novae, derived from 2 μm spectroscopy. It is found that both the intensity of the emission spectrum and the electron density of the gas are functions of the spectral type of the late-type star. Explanations for these correlations are given. On the assumption that the late-type components are normal giants, spectroscopic parallaxes are determined; credible distances are derived which indicate that the known symbiotic stars have been sampled as far afield as the Galactic Centre. Hydrogen shell flashes on a white dwarf accreting gas from the late-type components offer an attractive explanation of the phenomena of slow novae and symbiotic stars, and such models are discussed in the concluding section. (author)

  7. GAT 4 production and storage of hydrogen. Report July 2004; GAT 4 procduction et stockage de l'hydrogene. Rapport juillet 2004

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2004-07-01

    This paper concerns two aspects of the hydrogen: the production and the storage. For both parts the challenges and a state of the art are presented. It discusses also the hydrogen production by renewable energies, by solar energy, the hydrogen of hydrocarbons reforming purification, active phases development, thermal transfer simulation. Concerning the hydrogen storage the hydrogen adsorption by large surface solid, the storage by metallic hydrides, the alanates and light hydrides, the adsorption on carbon nano-tubes, the storage in nano-structures, the thermal and mechanical simulation of the hydrogen are presented. (A.L.B.)

  8. 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.)

  9. Nanoengineered Carbon Scaffolds for Hydrogen Storage

    Energy Technology Data Exchange (ETDEWEB)

    Leonard, A. D.; Hudson, J. L.; Fan, H.; Booker, R.; Simpson, L. J.; O' Neill, K. J.; Parilla, P. A.; Heben, M. J.; Pasquali, M.; Kittrell, C.; Tour, J. M.

    2009-01-01

    Single-walled carbon nanotube (SWCNT) fibers were engineered to become a scaffold for the storage of hydrogen. Carbon nanotube fibers were swollen in oleum (fuming sulfuric acid), and organic spacer groups were covalently linked between the nanotubes using diazonium functionalization chemistry to provide 3-dimensional (3-D) frameworks for the adsorption of hydrogen molecules. These 3-D nanoengineered fibers physisorb twice as much hydrogen per unit surface area as do typical macroporous carbon materials. These fiber-based systems can have high density, and combined with the outstanding thermal conductivity of carbon nanotubes, this points a way toward solving the volumetric and heat-transfer constraints that limit some other hydrogen-storage supports.

  10. Photochemical hydrogen abstractions as radiationless transitions

    International Nuclear Information System (INIS)

    Burrows, H.D.; Formosinho, S.J.

    1977-01-01

    The tunnel-effect theory of radiationless transitions is applied to the quenching of the uranyl ion excited state by aliphatic compounds. The most important mechanism kinetically is suggested to involve chemical quenching via hydrogen abstraction, and rates for these reactions are analysed theoretically. Good agreement between theory and experiment is observed for a number of alcohols and ethers, and the reactions are suggested to possess considerable charge-transfer character. With t-butanol it is suggested that abstraction occurs preferentially from the hydroxylic hydrogen. Theoretical analysis of the rates of hydrogen abstraction from carboxylic acids suggests that the reaction geometry in this case may be different from the reaction with alcohols or ethers. The possibility that excited uranyl ion can abstract a hydrogen atom from water is examined, and theoretical evidence is presented to suggest that this is the main route for deactivation of uranyl ion lowest excited state in water at room temperature. (author)

  11. Generalized slow roll for noncanonical kinetic terms

    International Nuclear Information System (INIS)

    Hu, Wayne

    2011-01-01

    We show that the generalized slow roll approach for calculating the power spectrum where the inflationary slow roll parameters are neither small nor slowly varying can be readily extended to models with noncanonical kinetic terms in the inflaton action. For example, rapid sound speed variations can arise in Dirac-Born-Infeld models with features in the warp factor leading to features in the power spectrum. Nonetheless there remains a single source function for deviations that is simply related to the power spectrum. Empirical constraints on this source function can be readily interpreted in the context of features in the inflaton potential or sound speed.

  12. Fast and slow spindles during the sleep slow oscillation: disparate coalescence and engagement in memory processing.

    Science.gov (United States)

    Mölle, Matthias; Bergmann, Til O; Marshall, Lisa; Born, Jan

    2011-10-01

    Thalamo-cortical spindles driven by the up-state of neocortical slow (memory consolidation during sleep. We examined interactions between SOs and spindles in human slow wave sleep, focusing on the presumed existence of 2 kinds of spindles, i.e., slow frontocortical and fast centro-parietal spindles. Two experiments were performed in healthy humans (24.5 ± 0.9 y) investigating undisturbed sleep (Experiment I) and the effects of prior learning (word paired associates) vs. non-learning (Experiment II) on multichannel EEG recordings during sleep. Only fast spindles (12-15 Hz) were synchronized to the depolarizing SO up-state. Slow spindles (9-12 Hz) occurred preferentially at the transition into the SO down-state, i.e., during waning depolarization. Slow spindles also revealed a higher probability to follow rather than precede fast spindles. For sequences of individual SOs, fast spindle activity was largest for "initial" SOs, whereas SO amplitude and slow spindle activity were largest for succeeding SOs. Prior learning enhanced this pattern. The finding that fast and slow spindles occur at different times of the SO cycle points to disparate generating mechanisms for the 2 kinds of spindles. The reported temporal relationships during SO sequences suggest that fast spindles, driven by the SO up-state feed back to enhance the likelihood of succeeding SOs together with slow spindles. By enforcing such SO-spindle cycles, particularly after prior learning, fast spindles possibly play a key role in sleep-dependent memory processing.

  13. Hydrogen energy systems studies

    Energy Technology Data Exchange (ETDEWEB)

    Ogden, J.M.; Kreutz, T.G.; Steinbugler, M. [Princeton Univ., NJ (United States)] [and others

    1996-10-01

    In this report the authors describe results from technical and economic assessments carried out during the past year with support from the USDOE Hydrogen R&D Program. (1) Assessment of technologies for small scale production of hydrogen from natural gas. Because of the cost and logistics of transporting and storing hydrogen, it may be preferable to produce hydrogen at the point of use from more readily available energy carriers such as natural gas or electricity. In this task the authors assess near term technologies for producing hydrogen from natural gas at small scale including steam reforming, partial oxidation and autothermal reforming. (2) Case study of developing a hydrogen vehicle refueling infrastructure in Southern California. Many analysts suggest that the first widespread use of hydrogen energy is likely to be in zero emission vehicles in Southern California. Several hundred thousand zero emission automobiles are projected for the Los Angeles Basin alone by 2010, if mandated levels are implemented. Assuming that hydrogen vehicles capture a significant fraction of this market, a large demand for hydrogen fuel could evolve over the next few decades. Refueling a large number of hydrogen vehicles poses significant challenges. In this task the authors assess near term options for producing and delivering gaseous hydrogen transportation fuel to users in Southern California including: (1) hydrogen produced from natural gas in a large, centralized steam reforming plant, and delivered to refueling stations via liquid hydrogen truck or small scale hydrogen gas pipeline, (2) hydrogen produced at the refueling station via small scale steam reforming of natural gas, (3) hydrogen produced via small scale electrolysis at the refueling station, and (4) hydrogen from low cost chemical industry sources (e.g. excess capacity in refineries which have recently upgraded their hydrogen production capacity, etc.).

  14. Hydrogen and fuel cell research: Institute for Integrated Energy Systems (IESVic)

    International Nuclear Information System (INIS)

    Pitt, L.

    2006-01-01

    Vision: IESVic's mission is to chart feasible paths to sustainable energy. Current research areas of investigation: 1. Energy system analysis 2. Computational fuel cell engineering; Fuel cell parameter measurement; Microscale fuel cells 3. Hydrogen dispersion studies for safety codes 4. Active magnetic refrigeration for hydrogen liquifaction and heat transfer in metal hydrides 5. Hydrogen and fuel cell system integration (author)

  15. Heat transfer

    Indian Academy of Sciences (India)

    First page Back Continue Last page Overview Graphics. Heat transfer. Heat conduction in solid slab. Convective heat transfer. Non-linear temperature. variation due to flow. HEAT FLUX AT SURFACE. conduction/diffusion.

  16. Heat transfer

    International Nuclear Information System (INIS)

    Saad, M.A.

    1985-01-01

    Heat transfer takes place between material systems as a result of a temperature difference. The transmission process involves energy conversions governed by the first and second laws of thermodynamics. The heat transfer proceeds from a high-temperature region to a low-temperature region, and because of the finite thermal potential, there is an increase in entropy. Thermodynamics, however, is concerned with equilibrium states, which includes thermal equilibrium, irrespective of the time necessary to attain these equilibrium states. But heat transfer is a result of thermal nonequilibrium conditions, therefore, the laws of thermodynamics alone cannot describe completely the heat transfer process. In practice, most engineering problems are concerned with the rate of heat transfer rather than the quantity of heat being transferred. Resort then is directed to the particular laws governing the transfer of heat. There are three distinct modes of heat transfer: conduction, convection, and radiation. Although these modes are discussed separately, all three types may occur simultaneously

  17. Light storage via slow-light four-wave mixing

    International Nuclear Information System (INIS)

    Fan, Yun-Fei; Wang, Hai-Hua; Wei, Xiao-Gang; Li, Ai-Jun; Kang, Zhi-Hui; Wu, Jin-Hui; Zhang, Han-Zhuang; Xu, Huai-Liang; Gao, Jin-Yue

    2012-01-01

    We experimentally demonstrate a light storage via slow-light four-wave mixing in a solid-state medium with a four-level double lambda scheme. Using slow light based on electromagnetically induced transparency, we obtain a slowed four-wave mixing signal pulse together with the slowed probe pulse. During the propagation of light pulses, the storage and retrieval of both the slowed four-wave mixing pulse and the slowed probe pulse are studied by manipulating the intensities of the control fields. -- Highlights: ► A light storage via slow-light four-wave mixing is observed in a solid. ► The probe pulse is slowed under electromagnetically induced transparency. ► A slowed four-wave mixing pulse is obtained by slow light. ► The storage of slowed double pulses is studied.

  18. Measurement of the scattering cross section of slow neutrons on liquid parahydrogen from neutron transmission

    Science.gov (United States)

    Grammer, K. B.; Alarcon, R.; Barrón-Palos, L.; Blyth, D.; Bowman, J. D.; Calarco, J.; Crawford, C.; Craycraft, K.; Evans, D.; Fomin, N.; Fry, J.; Gericke, M.; Gillis, R. C.; Greene, G. L.; Hamblen, J.; Hayes, C.; Kucuker, S.; Mahurin, R.; Maldonado-Velázquez, M.; Martin, E.; McCrea, M.; Mueller, P. E.; Musgrave, M.; Nann, H.; Penttilä, S. I.; Snow, W. M.; Tang, Z.; Wilburn, W. S.

    2015-05-01

    Liquid hydrogen is a dense Bose fluid whose equilibrium properties are both calculable from first principles using various theoretical approaches and of interest for the understanding of a wide range of questions in many-body physics. Unfortunately, the pair correlation function g (r ) inferred from neutron scattering measurements of the differential cross section d/σ d Ω from different measurements reported in the literature are inconsistent. We have measured the energy dependence of the total cross section and the scattering cross section for slow neutrons with energies between 0.43 and 16.1 meV on liquid hydrogen at 15.6 K (which is dominated by the parahydrogen component) using neutron transmission measurements on the hydrogen target of the NPDGamma collaboration at the Spallation Neutron Source at Oak Ridge National Laboratory. The relationship between the neutron transmission measurement we perform and the total cross section is unambiguous, and the energy range accesses length scales where the pair correlation function is rapidly varying. At 1 meV our measurement is a factor of 3 below the data from previous work. We present evidence that these previous measurements of the hydrogen cross section, which assumed that the equilibrium value for the ratio of orthohydrogen and parahydrogen has been reached in the target liquid, were in fact contaminated with an extra nonequilibrium component of orthohydrogen. Liquid parahydrogen is also a widely used neutron moderator medium, and an accurate knowledge of its slow neutron cross section is essential for the design and optimization of intense slow neutron sources. We describe our measurements and compare them with previous work.

  19. Hydrogen in metals

    CSIR Research Space (South Africa)

    Carter, TJ

    2001-04-01

    Full Text Available .J. Cartera,*, L.A. Cornishb aAdvanced Engineering & Testing Services, MATTEK, CSIR, Private Bag X28, Auckland Park 2006, South Africa bSchool of Process and Materials Engineering, University of the Witwatersrand, Private Bag 3, P.O. WITS 2050, South Africa... are contrasted, and an unusual case study of hydrogen embrittlement of an alloy steel is presented. 7 2001 Published by Elsevier Science Ltd. Keywords: Hydrogen; Hydrogen-assisted cracking; Hydrogen damage; Hydrogen embrittlement 1. Introduction Hydrogen suC128...

  20. Transfer Pricing

    DEFF Research Database (Denmark)

    Nielsen, Søren Bo

    2014-01-01

    Against a background of rather mixed evidence about transfer pricing practices in multinational enterprises (MNEs) and varying attitudes on the part of tax authorities, this paper explores how multiple aims in transfer pricing can be pursued across four different transfer pricing regimes. A MNE h...