Sample records for hydrogen bond network

  1. Ideally Glassy Hydrogen Bonded Networks

    E-Print Network [OSTI]

    J. C. Phillips

    2005-08-05T23:59:59.000Z

    The axiomatic theory of ideally glassy networks, which has proved effective in describing phase diagrams and properties of chalcogenide and oxide glasses and their foreign interfaces, is broadened here to include intermolecular interactions in hydrogen-bonded polyalcohols such as glycerol, monosaccharides (glucose), and the optimal bioprotective hydrogen-bonded disaccharide networks formed from trehalose. The methods of Lagrangian mechanics and Maxwellian scaffolds are useful at the molecular level when bonding hierarchies are characterized by constraint counting similar to the chemical methods used by Huckel and Pauling. Whereas Newtonian molecular dynamical methods are useful for simulating large-scale interactions for times of order 10 ps, constraint counting describes network properties on glassy (almost equilibrated) time scales, which may be of cosmological order for oxide glasses, or years for trehalose. The ideally glassy network of trehalose may consist of extensible tandem sandwich arrays.

  2. A Preorganized Hydrogen Bond Network and Its Effect on Anion...

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    Preorganized Hydrogen Bond Network and Its Effect on Anion Stability. A Preorganized Hydrogen Bond Network and Its Effect on Anion Stability. Abstract: Rigid tricyclic locked in...

  3. Hydrogen Bond Networks: Structure and Evolution after Hydrogen Bond Breaking John B. Asbury, Tobias Steinel, and M. D. Fayer*

    E-Print Network [OSTI]

    Fayer, Michael D.

    Hydrogen Bond Networks: Structure and Evolution after Hydrogen Bond Breaking John B. Asbury, TobiasVed: September 1, 2003; In Final Form: December 18, 2003 The nature of hydrogen bonding networks following hydrogen bond breaking is investigated using vibrational echo correlation spectroscopy of the hydroxyl

  4. Energetics of Hydrogen Bond Network Rearrangements in Liquid...

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    Energetics of Hydrogen Bond Network Rearrangements in Liquid Water Print The unique chemical and physical properties of liquid water are thought to result from the highly...

  5. Ultrafast structural fluctuations and rearrangements of water's hydrogen bonded network

    E-Print Network [OSTI]

    Loparo, Joseph J. (Joseph John)

    2007-01-01T23:59:59.000Z

    Aqueous chemistry is strongly influenced by water's ability to form an extended network of hydrogen bonds. It is the fluctuations and rearrangements of this network that stabilize reaction products and drive the transport ...

  6. Hydrogen-Bond Networks: Strengths of Different Types of Hydrogen...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    energetic driving force for enzyme catalysis and conformational changes such as in protein folding due to multiple hydrogen bonds in a HBN. Citation: Shokri A, Y Wang, GA...

  7. Algorithm for anisotropic diffusion in hydrogen-bonded networks

    E-Print Network [OSTI]

    Edoardo Milotti

    2007-04-04T23:59:59.000Z

    In this paper I describe a specialized algorithm for anisotropic diffusion determined by a field of transition rates. The algorithm can be used to describe some interesting forms of diffusion that occur in the study of proton motion in a network of hydrogen bonds. The algorithm produces data that require a nonstandard method of spectral analysis which is also developed here. Finally, I apply the algorithm to a simple specific example.

  8. Hydrogen-Bond Networks: Strengths of Different Types of Hydrogen Bonds and An Alternative to the Low Barrier Hydrogen-Bond Proposal

    SciTech Connect (OSTI)

    Shokri, Alireza; Wang, Yanping; O'Doherty, George A.; Wang, Xue B.; Kass, Steven R.

    2013-11-27T23:59:59.000Z

    We report quantifying the strengths of different types of hydrogen bonds in hydrogen bond networks (HBNs) via measurement of the adiabatic electron detachment energy of the conjugate base of a small covalent polyol model compound (i.e., (HOCH2CH2CH(OH)CH2)2CHOH) in the gas phase and the pKa of the corresponding acid in DMSO. The latter result reveals that the hydrogen bonds to the charged center and those that are one solvation shell further away (i.e., primary and secondary) provide 5.3 and 2.5 pKa units of stabilization per hydrogen bond in DMSO. Computations indicate that these energies increase to 8.4 and 3.9 pKa units in benzene and that the total stabilizations are 16 (DMSO) and 25 (benzene) pKa units. Calculations on a larger linear heptaol (i.e., (HOCH2CH2CH(OH)CH2CH(OH)CH2)2CHOH) reveal that the terminal hydroxyl groups each contribute 0.6 pKa units of stabilization in DMSO and 1.1 pKa units in benzene. All of these results taken together indicate that the presence of a charged center can provide a powerful energetic driving force for enzyme catalysis and conformational changes such as in protein folding due to multiple hydrogen bonds in a HBN.

  9. Plasticity of hydrogen bond networks regulates mechanochemistry of cell adhesion complexes

    E-Print Network [OSTI]

    Shaon Chakrabarti; Michael Hinczewski; D. Thirumalai

    2014-06-12T23:59:59.000Z

    Mechanical forces acting on cell adhesion receptor proteins regulate a range of cellular functions by formation and rupture of non-covalent interactions with ligands. Typically, force decreases the lifetimes of intact complexes (slip-bonds), making the discovery that these lifetimes can also be prolonged ("catch-bonds"), a surprise. We created a microscopic analytic theory by incorporating the structures of selectin and integrin receptors into a conceptual framework based on the theory of stochastic equations, which quantitatively explains a wide range of experimental data (including catch-bonds at low forces and slip-bonds at high forces). Catch-bonds arise due to force-induced remodeling of hydrogen bond networks, a finding that also accounts for unbinding in structurally unrelated integrin-fibronectin and actomyosin complexes. For the selectin family, remodeling of hydrogen bond networks drives an allosteric transition resulting in the formation of maximum number of hydrogen bonds determined only by the structure of the receptor and is independent of the ligand. A similar transition allows us to predict the increase in number of hydrogen bonds in a particular allosteric state of $\\alpha_5 \\beta_1$ integrin-fibronectin complex, a conformation which is yet to be crystallized. We also make a testable prediction that a single point mutation (Tyr51Phe) in the ligand associated with selectin should dramatically alter the nature of the catch-bond compared to the wild type. Our work suggests that nature utilizes a ductile network of hydrogen bonds to engineer function over a broad range of forces.

  10. Long time fluctuation of liquid water: l/f spectrum of energy fluctuation in hydrogen bond network rearrangement dynamics

    E-Print Network [OSTI]

    Ramaswamy, Ram

    Long time fluctuation of liquid water: l/f spectrum of energy fluctuation in hydrogen bond network of the potential energy fluctuation of liquid water is examined and found to yield so-called l/f frequency of hydrogen bond network relaxations in liquid water. A simple model of cellular dynamics is proposed

  11. Computational Design of a New Hydrogen Bond Network and at Least a 300-fold Specificity

    E-Print Network [OSTI]

    Baker, David

    Computational Design of a New Hydrogen Bond Network and at Least a 300-fold Specificity Switch, conformational strain, and packing defects yielded new binding partners that exhibited specificities of at least of similar structure and sequence. Simple rules to identify protein recognition sites and predict energetic

  12. Tyrosine B10 triggers a heme propionate hydrogen bonding network loop with glutamine E7 moiety

    SciTech Connect (OSTI)

    Ramos-Santana, Brenda J., E-mail: brenda.ramos@upr.edu [Department of Chemistry, University of Puerto Rico, Mayagueez Campus, P.O. Box 9019, Mayagueez 00681-9019 (Puerto Rico); Lopez-Garriga, Juan, E-mail: juan.lopez16@upr.edu [Department of Chemistry, University of Puerto Rico, Mayagueez Campus, P.O. Box 9019, Mayagueez 00681-9019 (Puerto Rico)] [Department of Chemistry, University of Puerto Rico, Mayagueez Campus, P.O. Box 9019, Mayagueez 00681-9019 (Puerto Rico)

    2012-08-10T23:59:59.000Z

    Highlights: Black-Right-Pointing-Pointer H-bonding network loop by PheB10Tyr mutation is proposed. Black-Right-Pointing-Pointer The propionate group H-bonding network restricted the flexibility of the heme. Black-Right-Pointing-Pointer The hydrogen bonding interaction modulates the electron density of the iron. Black-Right-Pointing-Pointer Propionate H-bonding network loop explains the heme-ligand stabilization. -- Abstract: Propionates, as peripheral groups of the heme active center in hemeproteins have been described to contribute in the modulation of heme reactivity and ligand selection. These electronic characteristics prompted the question of whether the presence of hydrogen bonding networks between propionates and distal amino acids present in the heme ligand moiety can modulate physiological relevant events, like ligand binding association and dissociation activities. Here, the role of these networks was evaluated by NMR spectroscopy using the hemoglobin I PheB10Tyr mutant from Lucina pectinata as model for TyrB10 and GlnE7 hemeproteins. {sup 1}H-NMR results for the rHbICN PheB10Tyr derivative showed chemical shifts of TyrB10 OH{eta} at 31.00 ppm, GlnE7 N{sub {epsilon}1}H/N{sub {epsilon}2}H at 10.66 ppm/-3.27 ppm, and PheE11 C{sub {delta}}H at 11.75 ppm, indicating the presence of a crowded, collapsed, and constrained distal pocket. Strong dipolar contacts and inter-residues crosspeaks between GlnE7/6-propionate group, GlnE7/TyrB10 and TyrB10/CN suggest that this hydrogen bonding network loop between GlnE7, TyrB10, 6-propionate group, and the heme ligand contribute significantly to the modulation of the heme iron electron density as well as the ligand stabilization mechanism. Therefore, the network loop presented here support the fact that the electron withdrawing character of the hydrogen bonding is controlled by the interaction of the propionates and the nearby electronic environments contributing to the modulation of the heme electron density state. Thus, we hypothesize that in hemeproteins with similar electrostatic environment the flexibility of the heme-6-propionate promotes a hydrogen bonding network loop between the 6-propionate, the heme ligand and nearby amino acids, tailoring in this way the electron density in the heme-ligand moiety.

  13. Energetics of Hydrogen Bond Network Rearrangements in Liquid Water

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  14. Energetics of Hydrogen Bond Network Rearrangements in Liquid Water

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  15. Energetics of Hydrogen Bond Network Rearrangements in Liquid Water

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

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  16. Water's Hydrogen Bond Strength

    E-Print Network [OSTI]

    Martin Chaplin

    2007-06-10T23:59:59.000Z

    Water is necessary both for the evolution of life and its continuance. It possesses particular properties that cannot be found in other materials and that are required for life-giving processes. These properties are brought about by the hydrogen bonded environment particularly evident in liquid water. Each liquid water molecule is involved in about four hydrogen bonds with strengths considerably less than covalent bonds but considerably greater than the natural thermal energy. These hydrogen bonds are roughly tetrahedrally arranged such that when strongly formed the local clustering expands, decreasing the density. Such low density structuring naturally occurs at low and supercooled temperatures and gives rise to many physical and chemical properties that evidence the particular uniqueness of liquid water. If aqueous hydrogen bonds were actually somewhat stronger then water would behave similar to a glass, whereas if they were weaker then water would be a gas and only exist as a liquid at sub-zero temperatures. The overall conclusion of this investigation is that water's hydrogen bond strength is poised centrally within a narrow window of its suitability for life.

  17. altered intramolecular hydrogen-bonding: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    altered intramolecular hydrogen-bonding First Page Previous Page 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 Next Page Last Page Topic Index 1 Dynamic Role of...

  18. anionic hydrogen-bonded complexes: Topics by E-print Network

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    anionic hydrogen-bonded complexes First Page Previous Page 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 Next Page Last Page Topic Index 1 The Effects of...

  19. amine-nitro hydrogen-bond geometry: Topics by E-print Network

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    amine-nitro hydrogen-bond geometry First Page Previous Page 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 Next Page Last Page Topic Index 1 A new...

  20. Hydrogen Bond Dynamics Probed with Ultrafast Infrared Heterodyne-Detected Multidimensional Vibrational Stimulated Echoes

    E-Print Network [OSTI]

    Fayer, Michael D.

    Hydrogen Bond Dynamics Probed with Ultrafast Infrared Heterodyne-Detected Multidimensional, USA (Received 24 February 2003; published 3 December 2003) Hydrogen bond dynamics are explicated hydrogen bonded network are measured with ultrashort (

  1. Quantum Confinement in Hydrogen Bond

    E-Print Network [OSTI]

    Santos, Carlos da Silva dos; Ricotta, Regina Maria

    2015-01-01T23:59:59.000Z

    In this work, the quantum confinement effect is proposed as the cause of the displacement of the vibrational spectrum of molecular groups that involve hydrogen bonds. In this approach the hydrogen bond imposes a space barrier to hydrogen and constrains its oscillatory motion. We studied the vibrational transitions through the Morse potential, for the NH and OH molecular groups inside macromolecules in situation of confinement (when hydrogen bonding is formed) and non-confinement (when there is no hydrogen bonding). The energies were obtained through the variational method with the trial wave functions obtained from Supersymmetric Quantum Mechanics (SQM) formalism. The results indicate that it is possible to distinguish the emission peaks related to the existence of the hydrogen bonds. These analytical results were satisfactorily compared with experimental results obtained from infrared spectroscopy.

  2. Hydrogen Adsorption Induces Interlayer Carbon Bond Formation...

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    Hydrogen Adsorption Induces Interlayer Carbon Bond Formation in Supported Few-Layer Graphene Friday, February 28, 2014 Among the allotropes of carbon, diamond has some of the most...

  3. Hydrogen-bond acidic functionalized carbon nanotubes (CNTs) with...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Hydrogen-bond acidic functionalized carbon nanotubes (CNTs) with covalently-bound hexafluoroisopropanol groups. Hydrogen-bond acidic functionalized carbon nanotubes (CNTs) with...

  4. Three Hydrogen Bond Donor Catalysts: Oxyanion Hole Mimics and...

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    Hydrogen Bond Donor Catalysts: Oxyanion Hole Mimics and Transition State Analogues. Three Hydrogen Bond Donor Catalysts: Oxyanion Hole Mimics and Transition State Analogues....

  5. Probing the hydrogen-bond network of water via time-resolved soft x-ray spectroscopy

    SciTech Connect (OSTI)

    Huse, Nils; Wen, Haidan; Nordlund, Dennis; Szilagyi, Erzsi; Daranciang, Dan; Miller, Timothy A.; Nilsson, Anders; Schoenlein, Robert W.; Lindenberg, Aaron M.

    2009-04-24T23:59:59.000Z

    We report time-resolved studies of hydrogen bonding in liquid H2O, in response to direct excitation of the O-H stretch mode at 3 mu m, probed via soft x-ray absorption spectroscopy at the oxygen K-edge. This approach employs a newly developed nanofluidic cell for transient soft x-ray spectroscopy in liquid phase. Distinct changes in the near-edge spectral region (XANES) are observed, and are indicative of a transient temperature rise of 10K following transient laser excitation and rapid thermalization of vibrational energy. The rapid heating occurs at constant volume and the associated increase in internal pressure, estimated to be 8MPa, is manifest by distinct spectral changes that differ from those induced by temperature alone. We conclude that the near-edge spectral shape of the oxygen K-edge is a sensitive probe of internal pressure, opening new possibilities for testing the validity of water models and providing new insight into the nature of hydrogen bonding in water.

  6. How Hydrogen Bond Redundancy Affects Protein Flexibility

    E-Print Network [OSTI]

    Naomi Fox; Filip Jagodzinski; Jeanne Hardy; Ileana Streinu

    Modeling a Protein as a BodyBarHinge and Associated Graph Main Question: Stability in proteins is the resistance to denaturation, or unfolding. A protein that is highly stable has a high tolerance to bonds breaking before unfolding; an unstable protein has less tolerance. In this study, we focus on the question, how many hydrogen bonds

  7. Does fluoride disrupt hydrogen bond network in cationic lipid bilayer? Time-dependent fluorescence shift of Laurdan and molecular dynamics simulations

    SciTech Connect (OSTI)

    Pokorna, Sarka; Jurkiewicz, Piotr; Hof, Martin, E-mail: martin.hof@jh-inst.cas.cz [J. Heyrovský Institute of Physical Chemistry of the Academy of Sciences of the Czech Republic v.v.i., Dolejskova 3, 18223 Prague 8 (Czech Republic); Vazdar, Mario [Division of Organic Chemistry and Biochemistry, Rudjer Boškovi? Institute, P.O.B. 180, HR-10002 Zagreb (Croatia); Cwiklik, Lukasz [J. Heyrovský Institute of Physical Chemistry of the Academy of Sciences of the Czech Republic v.v.i., Dolejskova 3, 18223 Prague 8 (Czech Republic); Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Flemingovo nám. 2, 16610 Prague 6 (Czech Republic); Jungwirth, Pavel [Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Flemingovo nám. 2, 16610 Prague 6 (Czech Republic); Department of Physics, Tampere University of Technology, P.O. Box 692, FI-33101 Tampere (Finland)

    2014-12-14T23:59:59.000Z

    Time-dependent fluorescence shift (TDFS) of Laurdan embedded in phospholipid bilayers reports on hydration and mobility of the phospholipid acylgroups. Exchange of H{sub 2}O with D{sub 2}O prolongs the lifetime of lipid-water and lipid-water-lipid interactions, which is reflected in a significantly slower TDFS kinetics. Combining TDFS measurements in H{sub 2}O and D{sub 2}O hydrated bilayers with atomistic molecular dynamics (MD) simulations provides a unique tool for characterization of the hydrogen bonding at the acylgroup level of lipid bilayers. In this work, we use this approach to study the influence of fluoride anions on the properties of cationic bilayers composed of trimethylammonium-propane (DOTAP). The results obtained for DOTAP are confronted with those for neutral phosphatidylcholine (DOPC) bilayers. Both in DOTAP and DOPC H{sub 2}O/D{sub 2}O exchange prolongs hydrogen-bonding lifetime and does not disturb bilayer structure. These results are confirmed by MD simulations. TDFS experiments show, however, that for DOTAP this effect is cancelled in the presence of fluoride ions. We interpret these results as evidence that strongly hydrated fluoride is able to steal water molecules that bridge lipid carbonyls. Consequently, when attracted to DOTAP bilayer, fluoride disrupts the local hydrogen-bonding network, and the differences in TDFS kinetics between H{sub 2}O and D{sub 2}O hydrated bilayers are no longer observed. A distinct behavior of fluoride is also evidenced by MD simulations, which show different lipid-ion binding for Cl{sup ?} and F{sup ?}.

  8. Hydrogen Bond Switching among Flavin and Amino Acid Side Chains in the BLUF Photoreceptor Observed by Ultrafast Infrared Spectroscopy

    E-Print Network [OSTI]

    van Stokkum, Ivo

    Hydrogen Bond Switching among Flavin and Amino Acid Side Chains in the BLUF Photoreceptor Observed hydrogen-bond network with nearby amino acid side chains, including a highly conserved tyrosine and glutamine. The participation of particular amino acid side chains in the ultrafast hydrogen-bond switching

  9. Hydrogen Bond Switching among Flavin and Amino Acids Determines the Nature of Proton-Coupled Electron Transfer in BLUF

    E-Print Network [OSTI]

    van Stokkum, Ivo

    Hydrogen Bond Switching among Flavin and Amino Acids Determines the Nature of Proton results from a hydrogen bond switch between the flavin and its surrounding amino acids that preconfigures a rearrangement of the hydrogen bond network around the flavin takes place leading to a 10-15 nm red shift

  10. Watching Hydrogen Bonds Break: A Transient Absorption Study of Water Tobias Steinel, John B. Asbury, Junrong Zheng, and M. D. Fayer*

    E-Print Network [OSTI]

    Fayer, Michael D.

    Watching Hydrogen Bonds Break: A Transient Absorption Study of Water Tobias Steinel, John B. Asbury of picoseconds, observe hydrogen bond breaking and monitor the equilibration of the hydrogen bond network in water. In addition, the vibrational lifetime, the time constant for hydrogen bond breaking, and the rate

  11. Hydrogen Bonded Arrays: The Power of Multiple Hydrogen Bonds. | EMSL

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    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation ProposedUsingFun withconfinement plasmasSandy-Nor'easterStatisticalwithRhodiumFew-LayerBonded

  12. Analysis of C H...O hydrogen bonds

    E-Print Network [OSTI]

    Babu, M. Madan

    1 Analysis of C H...O hydrogen bonds in high resolution protein crystal structures from the PDB 1.4 Identification of C-H...O hydrogen bonds............................................. 1.4.1 The definition of a C-H...O hydrogen bond.................................... 1.4.2 Fixing the hydrogen and measuring the parameters

  13. Water Dynamics in Nafion Fuel Cell Membranes: The Effects of Confinement and Structural Changes on the Hydrogen Bond Network

    E-Print Network [OSTI]

    Fayer, Michael D.

    emissions energy source is hydrogen. Hydrogen powered vehicles using polymer electrolyte membrane fuel cells and hydrophilic aggregates.1-4 Hydrogen fuel cells operate through the oxidation of hydrogen gas at the anodeWater Dynamics in Nafion Fuel Cell Membranes: The Effects of Confinement and Structural Changes

  14. Hydrogen Bonding DOI: 10.1002/anie.200501349

    E-Print Network [OSTI]

    Simons, Jack

    systems[5­13] and crystal engineering.[14­18] Most C�H···O hydrogen bonds have been observed for the soHydrogen Bonding DOI: 10.1002/anie.200501349 Observation of Weak C�H···O Hydrogen Bonding to Unactivated Alkanes** Xue-Bin Wang, Hin-Koon Woo, Boggavarapu Kiran, and Lai-Sheng Wang* The hydrogen bond

  15. Energetics of hydrogen bonds in peptides Sheh-Yi Sheu*

    E-Print Network [OSTI]

    Sheu, Sheh-Yi

    for water. We find that the activation energy for the rupture of the hydrogen bond in a -sheet under calculation can be useful for the prediction of hydrogen bond strengths in various environments of interest extensively to calculate free energy changes caused by hydrogen bond rupture. Here the water environment

  16. Hydrogen Bonding Penalty upon Ligand Binding Hongtao Zhao, Danzhi Huang*

    E-Print Network [OSTI]

    Caflisch, Amedeo

    Hydrogen Bonding Penalty upon Ligand Binding Hongtao Zhao, Danzhi Huang* Department of Biochemistry, University of Zurich, Zurich, Switzerland Abstract Ligand binding involves breakage of hydrogen bonds with water molecules and formation of new hydrogen bonds between protein and ligand. In this work, the change

  17. Collective Hydrogen Bond Reorganization in Water Studied with Temperature-Dependent Ultrafast Infrared Spectroscopy

    E-Print Network [OSTI]

    Nicodemus, Rebecca A.

    We use temperature-dependent ultrafast infrared spectroscopy of dilute HOD in H2O to study the picosecond reorganization of the hydrogen bond network of liquid water. Temperature-dependent two-dimensional infrared (2D IR), ...

  18. Hydrogen bond reorganization and vibrational relaxation in water studied with ultrafast infrared spectroscopy

    E-Print Network [OSTI]

    Nicodemus, Rebecca Anne

    2011-01-01T23:59:59.000Z

    Water consists of an extended hydrogen bond network that is constantly evolving. More than just a description of the time averaged structure is necessary to understand any process that occurs in water. In this thesis we ...

  19. Hydrogen Bond Breaking and Reformation in Alcohol Oligomers Following Vibrational Relaxation of a Non-Hydrogen-Bond Donating Hydroxyl Stretch

    E-Print Network [OSTI]

    Fayer, Michael D.

    Hydrogen Bond Breaking and Reformation in Alcohol Oligomers Following Vibrational Relaxation of a Non-Hydrogen-Bond Donating Hydroxyl Stretch K. J. Gaffney, I. R. Piletic, and M. D. Fayer* Department measured with ultrafast infrared pump-probe experiments. Non-hydrogen-bond donating OD stretches (2690 cm-1

  20. Anesthesia cutoff phenomenon: Interfacial hydrogen bonding

    SciTech Connect (OSTI)

    Chiou, J.S.; Ma, S.M.; Kamaya, H.; Ueda, I. (Univ. of Utah School of Medicine, Salt Lake City (USA))

    1990-05-04T23:59:59.000Z

    Anesthesia cutoff refers to the phenomenon of loss of anesthetic potency in a homologous series of alkanes and their derivatives when their sizes become too large. In this study, hydrogen bonding of 1-alkanol series (ethanol to eicosanol) to dipalmitoyl-L-alpha-phosphatidylcholine (DPPC) was studied by Fourier transform infrared spectroscopy (FTIR) in DPPC-D2O-in-CCl4 reversed micelles. The alkanols formed hydrogen bonds with the phosphate moiety of DPPC and released the DPPC-bound deuterated water, evidenced by increases in the bound O-H stretching signal of the alkanol-DPPC complex and also in the free O-D stretching band of unbound D2O. These effects increased according to the elongation of the carbon chain of 1-alkanols from ethanol (C2) to 1-decanol (C10), but suddenly almost disappeared at 1-tetradecanol (C14). Anesthetic potencies of these alkanols, estimated by the activity of brine shrimps, were linearly related to hydrogen bond-breaking activities below C10 and agreed with the FTIR data in the cutoff at C10.

  1. Hydrogen bond rearrangements and the motion of charge defects in water viewed using multidimensional ultrafast infrared spectroscopy

    E-Print Network [OSTI]

    Roberts, Sean T. (Sean Thomas)

    2010-01-01T23:59:59.000Z

    Compared with other molecular liquids, water is highly structured due to its ability to form up to four hydrogen bonds to its nearest neighbors, resulting in a tetrahedral network of molecules. However, this network is ...

  2. Ion Hydration and Associated Defects in Hydrogen Bond Network of Water: Observation of Reorientationally Slow Water Molecules Beyond First Hydration Shell in Aqueous Solutions of MgCl$_2$

    E-Print Network [OSTI]

    Upayan Baul; Satyavani Vemparala

    2014-12-18T23:59:59.000Z

    Effects of presence of ions, at moderate to high concentrations, on dynamical properties of water molecules are investigated through classical molecular dynamics simulations using two well known non-polarizable water models. Simulations reveal that the presence of magnesium chloride (MgCl$_2$) induces perturbations in the hydrogen bond network of water leading to the formation of bulk-like domains with \\textquoteleft defect sites\\textquoteright~on boundaries of such domains: water molecules at such defect sites have less number of hydrogen bonds than those in bulk water. Reorientational autocorrelation functions for dipole vectors of such defect water molecules are computed at different concentrations of ions and compared with system of pure water. Earlier experimental and simulation studies indicate significant differences in reorientational dynamics for water molecules in the first hydration shell of many dissolved ions. Results of this study suggest that defect water molecules, which are beyond the first hydration shells of ions, also experience significant slowing down of reorientation times as a function of concentration in the case of MgCl$_2$. However, addition of cesium chloride(CsCl) to water does not perturb the hydrogen bond network of water significantly even at higher concentrations. This difference in behavior between MgCl$_2$ and CsCl is consistent with the well-known Hofmeister series.

  3. Hydrogen incorporation in stishovite at high pressure and symmetric hydrogen bonding in N-AlOOH

    E-Print Network [OSTI]

    Stixrude, Lars

    Hydrogen incorporation in stishovite at high pressure and symmetric hydrogen bonding in N significant amounts of hydrogen in stishovite under lower-mantle conditions. The enthalpy of solution pressure and temperature. We predict asymmetric hydrogen bonding in the stishovite^N-AlOOH solid solution

  4. Semi-flexible hydrogen-bonded and non-hydrogen bonded lattice polymers

    E-Print Network [OSTI]

    J Krawczyk; AL Owczarek; T Prellberg

    2008-07-06T23:59:59.000Z

    We investigate the addition of stiffness to the lattice model of hydrogen-bonded polymers in two and three dimensions. We find that, in contrast to polymers that interact via a homogeneous short-range interaction, the collapse transition is unchanged by any amount of stiffness: this supports the physical argument that hydrogen bonding already introduces an effective stiffness. Contrary to possible physical arguments, favouring bends in the polymer does not return the model's behaviour to that comparable to the semi-flexible homogeneous interaction model, where the canonical $\\theta$-point occurs for a range of parameter values. In fact, for sufficiently large bending energies the crystal phase disappears altogether, and no phase transition of any type occurs. We also compare the order-disorder transition from the globule phase to crystalline phase in the semi-flexible homogeneous interaction model to that for the fully-flexible hybrid model with both hydrogen and non-hydrogen like interactions. We show that these phase transitions are of the same type and are a novel polymer critical phenomena in two dimensions. That is, it is confirmed that in two dimensions this transition is second-order, unlike in three dimensions where it is known to be first order. We also estimate the crossover exponent and show that there is a divergent specific heat, finding $\\phi=0.7(1)$ or equivalently $\\alpha=0.6(2)$. This is therefore different from the $\\theta$ transition, for which $\\alpha=-1/3$.

  5. Hydrogen Bonding Increases Packing Density in the Protein Interior

    E-Print Network [OSTI]

    Hydrogen Bonding Increases Packing Density in the Protein Interior David Schell,1,2 Jerry Tsai,1 J System Health Science Center, College Station, Texas 77843-1114 ABSTRACT The contribution of hydrogen to the stability, but experimental studies show that bury- ing polar groups, especially those that are hydrogen

  6. A new hydrogen-bonding potential for the design of proteinRNA interactions predicts specific

    E-Print Network [OSTI]

    Baker, David

    A new hydrogen-bonding potential for the design of protein­RNA interactions predicts specific-dependent hydrogen-bonding potential based on the statistical analysis of hydrogen-bonding geometries of hydrogen-bonding atom pairs at protein­ nucleic acid interfaces. A scoring function based on the hydrogen

  7. Spectroscopic investigations of hydrogen bond dynamics in liquid water

    E-Print Network [OSTI]

    Fecko, Christopher J., 1975-

    2004-01-01T23:59:59.000Z

    Many of the remarkable physical and chemical properties of liquid water are due to the strong influence hydrogen bonds have on its microscopic dynamics. However, because of the fast timescales involved, there are relatively ...

  8. Mpemba paradox: Hydrogen bond memory and water-skin supersolidity

    E-Print Network [OSTI]

    Chang Q Sun

    2015-01-05T23:59:59.000Z

    Numerical reproduction of measurements, experimental evidence for skin super-solidity and hydrogen-bond memory clarified that Mpemba paradox integrates the heat emission-conduction-dissipation dynamics in the source-path-drain cycle system.

  9. Vibrational Signature of Water Molecules in Asymmetric Hydrogen Bonding Environments

    E-Print Network [OSTI]

    Guidoni, Leonardo

    Vibrational Signature of Water Molecules in Asymmetric Hydrogen Bonding Environments Chao Zhang contributions of each of the two hydrogen atoms to the vibrational modes 1 and 3 of water molecules the early works on the molecular structure of water, it has been accepted that a water molecule

  10. Hydrogen Bond Migration between Molecular Sites Observed with Ultrafast 2D IR Chemical Exchange Spectroscopy

    E-Print Network [OSTI]

    Fayer, Michael D.

    Hydrogen Bond Migration between Molecular Sites Observed with Ultrafast 2D IR Chemical ExchangeVed: January 12, 2010 Hydrogen-bonded complexes between phenol and phenylacetylene are studied using ultrafast hydrogen bonding acceptor sites (phenyl or acetylene) that compete for hydrogen bond donors in solution

  11. Geometry of hydrogen bonds formed by lipid bilayer nitroxide probes : A high frequency pulsed ENDOR/EPR study.

    SciTech Connect (OSTI)

    Smirnova, T. I.; Smirnov, A. I.; Pachtchenko, S.; Poluektov, O. G.; Chemistry; North Carolina State Univ.

    2007-01-01T23:59:59.000Z

    Solvent effects on magnetic parameters of nitroxide spin labels in combination with side-directed spin-labeling EPR methods provide very useful means for elucidating polarity profiles in lipid bilayers and mapping local electrostatic effects in complex biomolecular systems. One major contributor to these solvent effects is the hydrogen bonds that could be formed between the nitroxide moiety and water and/or the available hydroxyl groups. Here, formation of hydrogen bonds between a lipid bilayer spin probe 5-doxyl stearic acid, 5DSA and hydrogen-bond donors has been studied using high-frequency (HF) pulsed ENDOR and EPR. A hydrogen-bonded deuteron was directly detected in HF ENDOR (130 GHz) spectra of 5DSA dissolved in several deuterated alcohols, while the characteristic signal was absent in nonpolar toluene-d{sub 8}. The length of the hydrogen bond, 1.74 {+-} 0.06 {angstrom}, and its geometry were found to be essentially the same for all four alcohols studied, indicating that nearly identical hydrogen bonds have been formed regardless of the solvent dielectric constant. This strengthens a hypothesis that HF EPR spectra are exclusively sensitive to formation of hydrogen bonds and could be used for probing the hydrogen-bond network in complex biomolecular assemblies and lipid bilayers with site-directed spin-labeling methods.

  12. Intramolecular Hydrogen Bonding in Disubstituted Ethanes. A Comparison of NH,,,O-and OH,,,O-Hydrogen Bonding through Conformational Analysis of 4-Amino-4-oxobutanoate

    E-Print Network [OSTI]

    Goddard III, William A.

    Intramolecular Hydrogen Bonding in Disubstituted Ethanes. A Comparison of NH,,,O- and OH,,,O- Hydrogen Bonding through Conformational Analysis of 4-Amino-4-oxobutanoate (succinamate) and Monohydrogen 1 of amide NH,,,O- and carboxyl OH,,,O- hydrogen bonds were investigated via conformational analysis

  13. The Hydrogen Bonding of Cytosinewith Guanine:Calorimetric and`H-NMR Analysis

    E-Print Network [OSTI]

    Williams, Loren

    The Hydrogen Bonding of Cytosinewith Guanine:Calorimetric and`H-NMR Analysis of the Molecular of hydrogen-bondformation between guanine (G) and cytusine (C) in o-dichloro- benzene and in chloroformat 25°C forming hydrogen bonds. Consequently, hydrogen-bond formation in our system is primarily between the bases

  14. Quantum Confinement in Hydrogen Bond of DNA and RNA

    E-Print Network [OSTI]

    da Silva dos Santos; Elso Drigo Filho; Regina Maria Ricotta

    2015-02-09T23:59:59.000Z

    The hydrogen bond is a fundamental ingredient to stabilize the DNA and RNA macromolecules. The main contribution of this work is to describe quantitatively this interaction as a consequence of the quantum confinement of the hydrogen. The results for the free and confined system are compared with experimental data. The formalism to compute the energy gap of the vibration motion used to identify the spectrum lines is the Variational Method allied to Supersymmetric Quantum Mechanics.

  15. Quantum Confinement in Hydrogen Bond of DNA and RNA

    E-Print Network [OSTI]

    Santos, da Silva dos; Ricotta, Regina Maria

    2015-01-01T23:59:59.000Z

    The hydrogen bond is a fundamental ingredient to stabilize the DNA and RNA macromolecules. The main contribution of this work is to describe quantitatively this interaction as a consequence of the quantum confinement of the hydrogen. The results for the free and confined system are compared with experimental data. The formalism to compute the energy gap of the vibration motion used to identify the spectrum lines is the Variational Method allied to Supersymmetric Quantum Mechanics.

  16. Subangstrom Crystallography Reveals that Short Ionic Hydrogen Bonds, and Not a His-Asp Low-Barrier Hydrogen

    E-Print Network [OSTI]

    Agard, David

    Subangstrom Crystallography Reveals that Short Ionic Hydrogen Bonds, and Not a His-Asp Low-Barrier Hydrogen Bond, Stabilize the Transition State in Serine Protease Catalysis Cynthia N. Fuhrmann, Matthew D that destabilizes the His57-Ser195 hydrogen bond, preventing the back-reaction. In both structures the His57-Asp102

  17. Water inertial reorientation: Hydrogen bond strength and the angular potential

    E-Print Network [OSTI]

    Fayer, Michael D.

    Water inertial reorientation: Hydrogen bond strength and the angular potential David E. Moilanen) The short-time orientational relaxation of water is studied by ultrafast infrared pump-probe spectroscopy with recent molecular dynamics simulations employing the simple point charge-extended water model at room

  18. alteredintramolecular hydrogen-bonding pattern: Topics by E-print...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    alteredintramolecular hydrogen-bonding pattern First Page Previous Page 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 Next Page Last Page Topic Index 1...

  19. Effect of quantum nuclear motion on hydrogen bonding

    SciTech Connect (OSTI)

    McKenzie, Ross H., E-mail: r.mckenzie@uq.edu.au; Bekker, Christiaan [School of Mathematics and Physics, University of Queensland, Brisbane 4072 (Australia)] [School of Mathematics and Physics, University of Queensland, Brisbane 4072 (Australia); Athokpam, Bijyalaxmi; Ramesh, Sai G. [Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560 012 (India)] [Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560 012 (India)

    2014-05-07T23:59:59.000Z

    This work considers how the properties of hydrogen bonded complexes, X–H?Y, are modified by the quantum motion of the shared proton. Using a simple two-diabatic state model Hamiltonian, the analysis of the symmetric case, where the donor (X) and acceptor (Y) have the same proton affinity, is carried out. For quantitative comparisons, a parametrization specific to the O–H?O complexes is used. The vibrational energy levels of the one-dimensional ground state adiabatic potential of the model are used to make quantitative comparisons with a vast body of condensed phase data, spanning a donor-acceptor separation (R) range of about 2.4 ? 3.0 Ĺ, i.e., from strong to weak hydrogen bonds. The position of the proton (which determines the X–H bond length) and its longitudinal vibrational frequency, along with the isotope effects in both are described quantitatively. An analysis of the secondary geometric isotope effect, using a simple extension of the two-state model, yields an improved agreement of the predicted variation with R of frequency isotope effects. The role of bending modes is also considered: their quantum effects compete with those of the stretching mode for weak to moderate H-bond strengths. In spite of the economy in the parametrization of the model used, it offers key insights into the defining features of H-bonds, and semi-quantitatively captures several trends.

  20. Ionwater hydrogen-bond switching observed with 2D IR vibrational echo chemical

    E-Print Network [OSTI]

    Fayer, Michael D.

    Ion­water hydrogen-bond switching observed with 2D IR vibrational echo chemical exchange for review November 8, 2008) The exchange of water hydroxyl hydrogen bonds between anions and water oxygens of anion­ water hydroxyl hydrogen bond switching under thermal equilib- rium conditions as Taw 7 1 ps. Pump

  1. Extent of Hydrogen-Bond Protection in Folded Proteins: A Constraint on Packing Architectures

    E-Print Network [OSTI]

    Berry, R. Stephen

    Extent of Hydrogen-Bond Protection in Folded Proteins: A Constraint on Packing Architectures Ariel structuring and ultimately exclusion of water by hydrophobes surrounding backbone hydrogen bonds turn hydrophobes yields an optimal hydrogen-bond stabilization. This motif is shown to be nearly ubiquitous

  2. Ligand Binding to the Pregnane X Receptor by Geometric Matching of Hydrogen Bonds

    E-Print Network [OSTI]

    North Carolina at Chapel Hill, University of

    space. Hydrogen bonds have been used in FlexX [3] as part of a more complete energy function. Our conformations to PXR based on hydrogen bond geometry and use them as a starting point for ranking ligands aspect of the energy function, the hydrogen bonds, in order to identify the discriminating factor

  3. Hydrogen bond dynamics in the active site of photoactive yellow protein

    E-Print Network [OSTI]

    Herschlag, Dan

    Hydrogen bond dynamics in the active site of photoactive yellow protein Paul A. Sigala, Mark A for review February 5, 2009) Hydrogen bonds play major roles in biological structure and function. Nonetheless, hydrogen-bonded protons are not typically observed by X-ray crystallography, and most structural

  4. Hydrogen bond dynamics in membrane protein function Ana-Nicoleta Bondar a,

    E-Print Network [OSTI]

    White, Stephen

    Review Hydrogen bond dynamics in membrane protein function Ana-Nicoleta Bondar a, , Stephen H 30 November 2011 Available online 8 December 2011 Keywords: Membrane protein structure Hydrogen bond Membrane protein dynamics Lipid­protein interactions Changes in inter-helical hydrogen bonding

  5. Hydrogen Bond Dissociation and Reformation in Methanol Oligomers Following Hydroxyl Stretch Relaxation

    E-Print Network [OSTI]

    Fayer, Michael D.

    Hydrogen Bond Dissociation and Reformation in Methanol Oligomers Following Hydroxyl Stretch, 2002 Vibrational relaxation and hydrogen bond dynamics in methanol-d dissolved in CCl4 have been-d molecules both accepting and donating hydrogen bonds at 2500 cm-1 . Following vibrational relaxation

  6. Hydrogen bond breaking probed with multidimensional stimulated vibrational echo correlation spectroscopy

    E-Print Network [OSTI]

    Fayer, Michael D.

    Hydrogen bond breaking probed with multidimensional stimulated vibrational echo correlation September 2003 Hydrogen bond population dynamics are extricated with exceptional detail using ultrafast ( 50 of methanol­OD oligomers in CCl4 . Hydrogen bond breaking makes it possible to acquire data for times much

  7. Native Hydrogen Bonds in a Molten Globule: The Apoflavodoxin Thermal Intermediate

    E-Print Network [OSTI]

    Sancho, Javier

    Native Hydrogen Bonds in a Molten Globule: The Apoflavodoxin Thermal Intermediate Marõ�a P. Iru�n1 in surface- exposed hydrogen bonds connecting secondary-structure elements in the native protein. All hydrogen bonds analysed are formed in the molten globule intermediate, either with native strength

  8. Effect of hydrogen bond cooperativity on the behavior of water

    E-Print Network [OSTI]

    Kevin Stokely; Marco G. Mazza; H. Eugene Stanley; Giancarlo Franzese

    2009-08-27T23:59:59.000Z

    Four scenarios have been proposed for the low--temperature phase behavior of liquid water, each predicting different thermodynamics. The physical mechanism which leads to each is debated. Moreover, it is still unclear which of the scenarios best describes water, as there is no definitive experimental test. Here we address both open issues within the framework of a microscopic cell model by performing a study combining mean field calculations and Monte Carlo simulations. We show that a common physical mechanism underlies each of the four scenarios, and that two key physical quantities determine which of the four scenarios describes water: (i) the strength of the directional component of the hydrogen bond and (ii) the strength of the cooperative component of the hydrogen bond. The four scenarios may be mapped in the space of these two quantities. We argue that our conclusions are model-independent. Using estimates from experimental data for H bond properties the model predicts that the low-temperature phase diagram of water exhibits a liquid--liquid critical point at positive pressure.

  9. Molecular surface electrostatic potentials in the analysis of non-hydrogen-bonding noncovalent interactions

    SciTech Connect (OSTI)

    Murray, J.S.; Paulsen, K.; Politzer, P.

    1993-12-27T23:59:59.000Z

    Electrostatic potentials computed on molecular surfaces are used to analyze some noncovalent interactions that are not in the category of hydrogen bonding, e.g. halogen bonding. The systems examined include halogenated methanes, substituted benzenes, s-tetrazine and 1,3-bisphenylurea. The data were obtained by ab initio SCF calculations. Electrostatic potentials, Non-hydrogen-bonding noncovalent interactions, Molecular surfaces.

  10. Formation and Dissociation of Intra-Intermolecular Hydrogen-Bonded Solute-Solvent Complexes: Chemical

    E-Print Network [OSTI]

    Fayer, Michael D.

    architectures in supramolecular chemistry, molecular recognition, and self-assembly. The strength of hydrogen, such as the properties of water4 and biological recognition.3 Hydrogen bonding has been studied extensively in many contexts since the birth of the concept in the early 1900s.2,3,5 Hydrogen bonds can be separated into two

  11. Chemical bond and entanglement of electrons in the hydrogen molecule

    E-Print Network [OSTI]

    Nikos Iliopoulos; Andreas F. Terzis

    2014-08-01T23:59:59.000Z

    We theoretically investigate the quantum correlations (in terms of concurrence of indistinguishable electrons) in a prototype molecular system (hydrogen molecule). With the assistance of the standard approximations of the linear combination of atomic orbitals and the con?guration interaction methods we describe the electronic wavefunction of the ground state of the H2 molecule. Moreover, we managed to ?find a rather simple analytic expression for the concurrence (the most used measure of quantum entanglement) of the two electrons when the molecule is in its lowest energy. We have found that concurrence does not really show any relation to the construction of the chemical bond.

  12. The C OH O hydrogen bond: A determinant of stability and specificity

    E-Print Network [OSTI]

    Senes, Alessandro

    recovered by hydro- gen bond formation, so hydrogen bonds provide a small or even unfavorable net energy hydro- gen bond has been unclear and its interaction energy has been believed to be small. Recently that apparent carbon hydro- gen bonds cluster frequently at glycine-, serine-, and threonine-rich packing

  13. Hydrogen Bonding, H-D Exchange, and Molecular Mobility in Thin...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Bonding, H-D Exchange, and Molecular Mobility in Thin Water Films on TiO2(110). Hydrogen Bonding, H-D Exchange, and Molecular Mobility in Thin Water Films on TiO2(110). Abstract:...

  14. Three Hydrogen Bond Donor Catalysts: Oxyanion Hole Mimics and Transition State Analogues

    SciTech Connect (OSTI)

    Beletskiy, Evgeny V.; Schmidt, Jacob C.; Wang, Xue B.; Kass, Steven R.

    2012-11-14T23:59:59.000Z

    Enzymes and their mimics use hydrogen bonds to catalyze chemical transformations. Small molecule transition state analogs of oxyanion holes are characterized by gas phase IR and photoelectron spectroscopy and their binding constants in acetonitrile. As a result, a new class of hydrogen bond catalysts is proposed (OH donors that can contribute three hydrogen bonds to a single functional group) and demonstrated in a Friedel-Crafts reaction.

  15. A CH O Hydrogen Bond Stabilized Polypeptide Chain Reversal Motif at the C Terminus of Helices

    E-Print Network [OSTI]

    Babu, M. Madan

    A C­H· · ·O Hydrogen Bond Stabilized Polypeptide Chain Reversal Motif at the C Terminus of Helices of Science Bangalore 560012, India The serendipitous observation of a C­H· · ·O hydrogen bond mediated­N hydrogen bond involving the side- chain of residue T 2 4 and the N­H group of residue T þ 3. In as many

  16. Hydrogen Bond Lifetimes and Energetics for Solute/Solvent Complexes Studied with 2D-IR Vibrational Echo Spectroscopy

    E-Print Network [OSTI]

    Fayer, Michael D.

    Hydrogen Bond Lifetimes and Energetics for Solute/Solvent Complexes Studied with 2D-IR Vibrational@stanford.edu Abstract: Weak hydrogen-bonded solute/solvent complexes are studied with ultrafast two the dissociation and formation rates of the hydrogen-bonded complexes. The dissociation rates of the weak hydrogen

  17. DOI: 10.1002/adma.200602099 Competitive Hydrogen Bonding in p-Stacked Oligomers**

    E-Print Network [OSTI]

    Rochefort, Alain

    DOI: 10.1002/adma.200602099 Competitive Hydrogen Bonding in p-Stacked Oligomers** By Alain, such as light-emitting diodes, field- effect transistors, and photovoltaic cells.[1] Although such mate- rials by multiple amide functional groups with the ability to form hydrogen bonds.[5] Thus, one can sig- nificantly

  18. Testing Geometrical Discrimination within an Enzyme Active Site: Constrained Hydrogen Bonding in the Ketosteroid

    E-Print Network [OSTI]

    Herschlag, Dan

    Testing Geometrical Discrimination within an Enzyme Active Site: Constrained Hydrogen Bonding, Stanford UniVersity, Stanford, California 94305, and Departments of Biochemistry and Chemistry-chain reorientation and prevent hydrogen bond shortening by 0.1 Ă? or less. Further, this constraint has substantial

  19. MOLECULAR PHYSICS, 1999, VOL. 97, NO. 7, 897 905 Dynamics and hydrogen bonding in liquid ethanol

    E-Print Network [OSTI]

    Saiz, Leonor

    MOLECULAR PHYSICS, 1999, VOL. 97, NO. 7, 897± 905 Dynamics and hydrogen bonding in liquid ethanol L of liquid ethanol at three temperatures have been carried out. The hydrogen bonding states of ethanol measurements of the frequency-dependent dielectric permittivity of liquid ethanol. 1. Introduction A detailed

  20. Structure and function of circadian clock proteins and deuterium isotope effects in nucleic acid hydrogen bonds

    E-Print Network [OSTI]

    Vakonakis, Ioannis

    2005-08-29T23:59:59.000Z

    -terminal domain. Hydrogen bonds are of paramount importance in nucleic acid structure and function. Here we show that changes in the width and anharmonicity of vibrational potential energy wells of hydrogen bonded groups can be measured in nucleic acids and can...

  1. A C-H...O Hydrogen Bond Stabilized Polypeptide Chain Reversal Motif

    E-Print Network [OSTI]

    Babu, M. Madan

    A C-H...O Hydrogen Bond Stabilized Polypeptide Chain Reversal Motif at the C-terminus of Helices between the C atom of residue Ala 4 (T-4) and the backbone oxygen atom of DLeu 9. The C-H...O hydrogen Nitrogenase MoFe protein (PDB: 1qh8). The N-H...O hydrogen bond parameters are: O...N = 3.19Ă?; O...H = 2.48 Ă?

  2. C-H..O Hydrogen Bonds in Minor Groove of A-tracts in DNA Double Helices

    E-Print Network [OSTI]

    Bansal, Manju

    C-H..O Hydrogen Bonds in Minor Groove of A-tracts in DNA Double Helices Anirban Ghosh and Manju-pair as well as cross-strand C-H..O hydrogen bonds in the minor groove. The C2-H2..O2 hydrogen bonds within leads to a narrow minor groove in these regions. # 1999 Academic Press Keywords: C-H..O hydrogen bonds

  3. Ultrafast conversions between hydrogen bonded structures in liquid water observed by femtosecond x-ray spectroscopy

    SciTech Connect (OSTI)

    Wen, Haidan; Huse, Nils; Schoenlein, Robert W.; Lindenberg, Aaron M.

    2010-05-01T23:59:59.000Z

    We present the first femtosecond soft x-ray spectroscopy in liquids, enabling the observation of changes in hydrogen bond structures in water via core-hole excitation. The oxygen K-edge of vibrationally excited water is probed with femtosecond soft x-ray pulses, exploiting the relation between different water structures and distinct x-ray spectral features. After excitation of the intramolecular OH stretching vibration, characteristic x-ray absorption changes monitor the conversion of strongly hydrogen-bonded water structures to more disordered structures with weaker hydrogen-bonding described by a single subpicosecond time constant. The latter describes the thermalization time of vibrational excitations and defines the characteristic maximum rate with which nonequilibrium populations of more strongly hydrogen-bonded water structures convert to less-bonded ones. On short time scales, the relaxation of vibrational excitations leads to a transient high-pressure state and a transient absorption spectrum different from that of statically heated water.

  4. Hydrogen Bonds Involved in Binding the Qi-site Semiquinone in the bc1 Complex, Identified through Deuterium Exchange

    E-Print Network [OSTI]

    Crofts, Antony R.

    Hydrogen Bonds Involved in Binding the Qi-site Semiquinone in the bc1 Complex, Identified through them. The strength of interactions indicates that the protons are involved in hydrogen bonds with SQ. The hyperfine cou- plings differ from values typical for in-plane hydrogen bonds previously observed in model

  5. Hydrogen bonding preference of equatorial versus axial hydroxyl groups in pyran and cyclohexane rings in organic crystals

    E-Print Network [OSTI]

    de Gispert, AdriĂ 

    Paper Hydrogen bonding preference of equatorial versus axial hydroxyl groups in pyran of the hydrogen bonding counts in crystalline pyranose monosaccharides, we noticed that equatorial hydroxyls formed more hydrogen bonds, on average, than axial groups. A survey of the Cambridge Structural Database

  6. Hydrogen-Bonding Interaction in Molecular Complexes and Clusters of Aerosol Nucleation Alexei Khalizov, and Renyi Zhang*

    E-Print Network [OSTI]

    Hydrogen-Bonding Interaction in Molecular Complexes and Clusters of Aerosol Nucleation Precursors, water, and ammonia. A central feature of the complexes is the presence of two hydrogen bonds. Organic acid-sulfuric acid complexes show one strong and one medium-strength hydrogen bond whereas

  7. Hydrogen-bond equilibria and life times in a supercooled monohydroxy alcohol

    E-Print Network [OSTI]

    C. Gainaru; S. Kastner; F. Mayr; P. Lunkenheimer; S. Schildmann; H. J. Weber; W. Hiller; A. Loidl; R. Böhmer

    2011-06-29T23:59:59.000Z

    Dielectric loss spectra covering 13 decades in frequency were collected for 2-ethyl-1-hexanol, a monohydroxy alcohol that exhibits a prominent Debye-like relaxation, typical for several classes of hydrogen-bonded liquids. The thermal variation of the dielectric absorption amplitude agrees well with that of the hydrogen-bond equilibrium population, experimentally mapped out using near infrared (NIR) and nuclear magnetic resonance (NMR) measurements. Despite this agreement, temperature-jump NIR spectroscopy reveals that the hydrogen-bond switching rate does not define the frequency position of the prominent absorption peak. This contrasts with widespread notions and models based thereon, but is consistent with a recent approach.

  8. E-Print Network 3.0 - amide bonds stabilize Sample Search Results

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Amide-Amide and Amide-Water Hydrogen Bonds Summary: Bonds: Implicationsfor Protein Folding and Stability Eric S.Eberhardt and Ronald T. Rained Department... folds, many of...

  9. Hydrogen Bond Rearrangements in Water Probed with Temperature-Dependent 2D IR

    E-Print Network [OSTI]

    Nicodemus, Rebecca A.

    We use temperature-dependent two-dimensional infrared spectroscopy (2D IR) of dilute HOD in H2O to investigate hydrogen bond rearrangements in water. The OD stretching frequency is sensitive to its environment, and loss ...

  10. A Computational Study of Hydrogen-bonded Molecular Crystals 

    E-Print Network [OSTI]

    Walker, Martin

    precision and often missing hydrogen atom location data. Traditionally the solution has been sought in neutron diffraction where hydrogen (deuterium) atoms scatter more intensely and so contribute more to the scattering pattern. This introduces another set...

  11. E-Print Network 3.0 - amide bond formation Sample Search Results

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Irvine Collection: Chemistry 3 J. Am. Chem. SOC.1994,116,2149-2150 Amide-Amide and Amide-Water Hydrogen Bonds Summary: of hydrogen bonds observed here therefore suggests that...

  12. Blending Hydrogen into Natural Gas Pipeline Networks: A Review...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Blending Hydrogen into Natural Gas Pipeline Networks: A Review of Key Issues Blending Hydrogen into Natural Gas Pipeline Networks: A Review of Key Issues The United States has 11...

  13. Simultaneous photon absorption as a probe of molecular interaction and hydrogen-bond correlation in liquids

    E-Print Network [OSTI]

    Sander Woutersen

    2007-03-06T23:59:59.000Z

    We have investigated the simultaneous absorption of near-infrared photons by pairs of neighboring molecules in liquid methanol. Simultaneous absorption by two OH-stretching modes is found to occur at an energy higher than the sum of the two absorbing modes. This frequency shift arises from interaction between the modes, and its value has been used to determine the average coupling between neighboring methanol molecules. We find a rms coupling strength of 46+/-1 cm-1, much larger than can be explained from transition-dipole coupling, suggesting that hydrogen-bond mediated interactions between neighboring molecules play an important role in liquid methanol. The most important aspect of simultaneous vibrational absorption is that it allows for a quantitative investigation of hydrogen-bond cooperativity. We derive the extent to which the hydrogen-bond strengths of neighboring molecules are correlated by comparing the line shape of the absorption band caused by simultaneous absorption with that of the fundamental transition. Surprisingly, neighboring hydrogen bonds in methanol are found to be strongly correlated, and from the data we obtain a hydrogen-bond correlation coefficient of 0.69+/-0.12.

  14. Dynamics of Weak, Bifurcated and Strong Hydrogen Bonds in Lithium Nitrate Trihydrate

    SciTech Connect (OSTI)

    Werhahn, Jasper C.; Pandelov, S.; Xantheas, Sotiris S.; Iglev, H.

    2011-07-07T23:59:59.000Z

    The properties of three distinct types of hydrogen bonds, namely a weak, a bifurcated and a strong one, all present in/the LiNO3 (HDO)(D2O)2 hydrate lattice unit cell are studied using steady-state and time-resolved spectroscopy. The lifetimes of the OH stretching vibrations for the three individual bonds are 2.2 ps (weak), 1.7 ps (bifurcated), and 1.2 ps (strong), respectively. For the first time the properties of bifurcated H bonds can thus be unambiguously directly compared to those of weak and strong H bonds in the same system. The values of their OH stretching vibration lifetime, anharmonicity, red shift and bond strength lie between those for the strong and weak H bonds. The experimentally observed inhomogeneous broadening of their spectral signature is attributed to the coupling with a low frequency intermolecular wagging vibration/

  15. Self-Assembly Using Hydrogen Bonds to Direct the Assembly of

    E-Print Network [OSTI]

    Hone, James

    Self-Assembly Using Hydrogen Bonds to Direct the Assembly of Crowded Aromatics Mark L. Bushey, Thuc · molecular recognition · nanotechnology · self-assembly 1. Introduction Self-assembly is a powerful tool such self-assembled system.[2] This relatively new class of liquid crystalline compounds, discovered in 1977

  16. Hydrogen Bonding between Phenol and Acetonitrile Eugene S. Kryachko and Minh Tho Nguyen*

    E-Print Network [OSTI]

    Nguyen, Minh Tho

    Hydrogen Bonding between Phenol and Acetonitrile Eugene S. Kryachko and Minh Tho Nguyen* Department of phenol, complexed with acetonitrile, as the latter concentration increases, via performing a thorough search of the potential energy surface of the interaction of phenol with acetonitrile at the modest MP2

  17. Water dimer hydrogen bond stretch, donor torsion overtone, and ``in-plane bend'' vibrations

    E-Print Network [OSTI]

    Cohen, Ronald C.

    Water dimer hydrogen bond stretch, donor torsion overtone, and ``in-plane bend'' vibrations Frank N. Brown Los Alamos National Laboratory, Los Alamos, New Mexico 87545 Heather A. Harker and Poul B. © 2003 American Institute of Physics. DOI: 10.1063/1.1614774 I. INTRODUCTION Water clusters have been

  18. Supporting Information Hydrogen Bonding in the Active Site of Ketosteroid Isomerase

    E-Print Network [OSTI]

    Herschlag, Dan

    Inductive Effects and Hydrogen Bond Coupling Philip Hanoian, Paul A. Sigala,§ Daniel Herschlag,§ and Sharon for pKSI D40N are shown above in Fig. S1. The spectrum for apo tKSI D40N (Fig. S3, below) was previously

  19. Hydrogen-bond driven loop-closure kinetics in unfolded polypeptide chains

    SciTech Connect (OSTI)

    Daidone, Isabella [University of Heidelberg; Neuweiler, H [University of Heidelberg; Doose, S [University of Heidelberg; Sauer, M [University of Heidelberg; Smith, Jeremy C [ORNL

    2010-12-01T23:59:59.000Z

    Characterization of the length dependence of end-to-end loop-closure kinetics in unfolded polypeptide chains provides an understanding of early steps in protein folding. Here, loop-closure in poly-glycine-serine peptides is investigated by combining single-molecule fluorescence spectroscopy with molecular dynamics simulation. For chains containing more than 10 peptide bonds loop-closing rate constants on the 20-100 nanosecond time range exhibit a power-law length dependence. However, this scaling breaks down for shorter peptides, which exhibit slower kinetics arising from a perturbation induced by the dye reporter system used in the experimental setup. The loop-closure kinetics in the longer peptides is found to be determined by the formation of intra-peptide hydrogen bonds and transient beta-sheet structure, that accelerate the search for contacts among residues distant in sequence relative to the case of a polypeptide chain in which hydrogen bonds cannot form. Hydrogen-bond-driven polypeptide-chain collapse in unfolded peptides under physiological conditions found here is not only consistent with hierarchical models of protein folding, that highlights the importance of secondary structure formation early in the folding process, but is also shown to speed up the search for productive folding events.

  20. Hydrogen Bonds, Water Rotation and Proton Mobility Liaisons Hydrog`ene, Rotation de l'eau et Mobilit'e du

    E-Print Network [OSTI]

    Agmon, Noam

    Hydrogen Bonds, Water Rotation and Proton Mobility Liaisons Hydrog`ene, Rotation de l'eau et H 3 O + est presque immo­ bilis'e par des liaisons hydrog`ene extrâ??emement fortes. Ces derni liaisons hydrog`ene de l'eau pure. Dans l'eau en dessous de 20 0 C, la rotation des mol'ecules est plus

  1. Factors determining the pKa values of the ionizable groups in proteins: their intrinsic pKas and the effects of hydrogen bonding on buried carboxyl groups

    E-Print Network [OSTI]

    Thurlkill, Richard Lee

    2007-04-25T23:59:59.000Z

    that is not well understood is the effect of hydrogen bonds. The side chain carboxyl of Asp33 in RNase Sa is buried, forms 3 intramolecular hydrogen bonds, and has a pKa of 2.4 in the folded protein. One of these hydrogen bonds is to the side chain hydroxyl of Thr...

  2. CH O Hydrogen Bonds at Protein-Protein Interfaces*S Received for publication, May 8, 2002, and in revised form, July 8, 2002

    E-Print Network [OSTI]

    Luhua, Lai

    CH O Hydrogen Bonds at Protein-Protein Interfaces*S Received for publication, May 8, 2002, a statistical potential has been de- veloped to quantitatively describe the CH O hydrogen bonding interaction-protein interaction studies. The conventional hydrogen bonds of the type X­H Y (where X and Y N or O) have been widely

  3. Panel 2, Hydrogen Delivery in the Natural Gas Pipeline Network

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    in the Natural Gas Pipeline Network DOE'S HYDROGEN ENERGY STORAGE FOR GRID AND TRANSPORTATION SERVICES WORKSHOP Sacramento, CA May 14, 2014 Brian Weeks Gas Technology Institute 2 2...

  4. Note: Charge transfer in a hydrated peptide group is determined mainly by its intrinsic hydrogen-bond energetics

    SciTech Connect (OSTI)

    Mirkin, Noemi G.; Krimm, Samuel [LSA Biophysics, University of Michigan, 930 N. University Ave., Ann Arbor, Michigan 48109-1055 (United States)] [LSA Biophysics, University of Michigan, 930 N. University Ave., Ann Arbor, Michigan 48109-1055 (United States)

    2014-01-28T23:59:59.000Z

    Charge transfer in a hydrogen-bonded N-methylacetamide(H{sub 2}O){sub 3} system is obtained from ?B97X-D/6-31++G** and CHelpG atomic charge calculations of individual peptide-water interactions as well as that of the entire complex. In the latter, the electron transfer to water is 0.19 e, influenced primarily by the hydrogen bonds to the C=O group. The values of such charge transfer are paralleled by the corresponding intrinsic hydrogen-bond energies. These results support the desirability of incorporating charge transfer in molecular mechanics energy functions.

  5. Hydrogen-Bond Networks: Strengths of Different Types of Hydrogen Bonds and

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation ProposedUsingFun withconfinementEtching. | EMSL Bubbles andof theCoal toAn Alternative to

  6. Comparative PCET Study of a Donor?Acceptor Pair Linked by Ionized and Nonionized Asymmetric Hydrogen-Bonded Interfaces

    E-Print Network [OSTI]

    Young, Elizabeth R.

    A Zn(II) amidinium porphyrin is the excited-state electron donor (D) to a naphthalene diimide acceptor (A) appended with either a carboxylate or sulfonate functionality. The two-point hydrogen bond (···[H[superscript +

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

    E-Print Network [OSTI]

    Iyengar, Srinivasan S.

    Isotope dependent, temperature regulated, energy repartitioning in a low-barrier, short-strong hydrogen bonded cluster Xiaohu Li,1 Jos Oomens,2 John R. Eyler,3 David T. Moore,4,a and Srinivasan S; published online 22 June 2010 We investigate and analyze the vibrational properties, including hydrogen

  8. Observation of Fractional Stokes-Einstein Behavior in the Simplest Hydrogen-bonded Liquid

    SciTech Connect (OSTI)

    Herwig, Kenneth W [ORNL; Molaison, Jamie J [ORNL; Fernandez-Alonso, F. [ISIS Facility, Rutherford Appleton Laboratory; Bermejo, F. J. [CSIC - Inst. Estructura de la Materia & Dept. of Electricity and Electronics; Turner, John F. C. [University of Tennessee, Knoxville (UTK); McLain, Sylvia E. [ISIS Facility, Rutherford Appleton Laboratory

    2007-01-01T23:59:59.000Z

    Quasielastic neutron scattering has been used to investigate the single-particle dynamics of hydrogen fluoride across its entire liquid range at ambient pressure. For T > 230 K, translational diffusion obeys the celebrated Stokes-Einstein relation, in agreement with nuclear magnetic resonance studies. At lower temperatures, we find significant deviations from the above behavior in the form of a power law with exponent xi = -0.71+/-0.05. More striking than the above is a complete breakdown of the Debye-Stokes-Einstein relation for rotational diffusion. Our findings provide the first experimental verification of fractional Stokes-Einstein behavior in a hydrogen-bonded liquid, in agreement with recent computer simulations.

  9. Soluble Hydrogen-bonding Interpolymer Complexes in Water: A Small-Angle Neutron Scattering Study

    E-Print Network [OSTI]

    Maria Sotiropoulou; Julian Oberdisse; Georgios Staikos

    2006-04-03T23:59:59.000Z

    The hydrogen-bonding interpolymer complexation between poly(acrylic acid) (PAA) and the poly(N,N-dimethylacrylamide) (PDMAM) side chains of the negatively charged graft copolymer poly(acrylic acid-co-2-acrylamido-2-methyl-1-propane sulfonic acid)-graft-poly(N, N dimethylacrylamide) (P(AA-co-AMPSA)-g-PDMAM), containing 48 wt % of PDMAM, and shortly designated as G48, has been studied by small-angle neutron scattering in aqueous solution. Complexation occurs at low pH (pH < 3.75), resulting in the formation of negatively charged colloidal particles, consisting of PAA/PDMAM hydrogen-bonding interpolymer complexes, whose radius is estimated to be around 165 A. As these particles involve more than five graft copolymer chains, they act as stickers between the anionic chains of the graft copolymer backbone. This can explain the characteristic thickening observed in past rheological measurements with these mixtures in the semidilute solution, with decreasing pH. We have also examined the influence of pH and PAA molecular weight on the formation of these nanoparticles.

  10. The role of hydrogen bonds in protein folding and protein association

    SciTech Connect (OSTI)

    Ben-Naim, A. (National Inst. of Health, Bethesda, MD (USA))

    1991-02-07T23:59:59.000Z

    The contribution of a pair of functional groups that can form either intermolecular or intramolecular hydrogen bonds to the total standard free energy of the process of protein folding or protein association is examined. It is found that this contribution can be quite large, either positive or negative, depending on the particular process and on the solvent density. This is in contrast to the common belief that the hydrogen-bond energies tend to be compensated in these processes. For the binding process, in which the two functional groups are completely removed from the aqueous environment, the contribution of such a pair of functional groups to {Delta}G can be as high as +6.4 kcal/mol. This is the main reason why hydrophobic rather than hydrophilic surfaces tend to attach to each other. In contrast, when the two functional groups are only partially removed from the aqueous environment, as in the case of the formation of {alpha}-helix, their contribution to {Delta}G can be negative and of the order of about 1 kcal/mol.

  11. Energetics of Hydrogen Bond Network Rearrangements in Liquid Water

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation ProposedUsing Zirconia Nanoparticles asSecond stage ofDefects on Graphene

  12. Energetics of Hydrogen Bond Network Rearrangements in Liquid Water

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation ProposedUsing Zirconia Nanoparticles asSecond stage ofDefects on GrapheneEnergetics of

  13. Energetics of Hydrogen Bond Network Rearrangements in Liquid Water

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation ProposedUsing Zirconia Nanoparticles asSecond stage ofDefects on GrapheneEnergetics

  14. Energetics of Hydrogen Bond Network Rearrangements in Liquid Water

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation ProposedUsing Zirconia Nanoparticles asSecond stage ofDefects on Graphene throughEnergetics of

  15. Energetics of Hydrogen Bond Network Rearrangements in Liquid Water

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation ProposedUsing Zirconia Nanoparticles asSecond stage ofDefects on Graphene throughEnergetics

  16. Terahertz radiation by optical rectification in a hydrogen-bonded organic molecular ferroelectric crystal, 2-phenylmalondialdehyde

    E-Print Network [OSTI]

    Guan, W; Sotome, M; Kinoshita, Y; Takeda, R; Inoue, A; Horiuchi, S; Okamoto, H

    2014-01-01T23:59:59.000Z

    Terahertz radiation by optical rectification has been observed at room temperature in a hydrogen-bonded organic molecular ferroelectric crystal, 2-phenyl malondialdehyde (PhMDA). The radiated electromagnetic wave consisted of a single-cycle terahertz pulse with a temporal width of $\\sim$ 0.5 ps. The terahertz radiation amplitude divided by the sample thickness in PhMDA was nearly equivalent to that in a typical terahertz wave emitter ZnTe. This is attributable to a long coherence length in the range of 130 $\\sim$ 800 $\\mu$m for the terahertz radiation from PhMDA. We also discussed the possibility of PhMDA as a terahertz wave emitter in terms of the phase-matching condition.

  17. On the role of interfacial hydrogen bonds in "on-water" catalysis

    E-Print Network [OSTI]

    Kristof Karhan; Rustam Z. Khaliullin; Thomas D. Kühne

    2014-08-21T23:59:59.000Z

    Numerous experiments have demonstrated that many classes of organic reactions exhibit increased reaction rates when performed in heterogeneous water emulsions. Despite enormous practical importance of the observed "on-water" catalytic effect and several mechanistic studies, its microscopic origins remains unclear. In this work, the second generation Car-Parrinello molecular dynamics method is extended to self-consistent charge density-functional based tight-binding in order to study "on-water" catalysis of the Diels-Alder reaction between dimethyl azodicarboxylate and quadricyclane. We find that the stabilization of the transition state by dangling hydrogen bonds exposed at the aqueous interfaces plays a significantly smaller role in "on-water" catalysis than has been suggested previously.

  18. Self-Assembly of Hydrogen-Bonded Polymeric Rods Based on the Cyanuric Acid,Melamine Lattice

    E-Print Network [OSTI]

    Prentiss, Mara

    Self-Assembly of Hydrogen-Bonded Polymeric Rods Based on the Cyanuric Acid,Melamine Lattice Insung Received July 29, 1998. Revised Manuscript Received December 28, 1998 This paper describes the self-assembly) are interpreted as indicating that the self-assembly of a bisisocyanuric acid (bisCA) and a bismelamine (bis

  19. Self-assembly of hydrogen-bonded supramolecular strands from complementary melamine and barbiturate components with chiral

    E-Print Network [OSTI]

    Rusell, K.C.

    Self-assembly of hydrogen-bonded supramolecular strands from complementary melamine and barbiturate barbiturate 7 result in molecular recognition directed self-assembly in solution and in the solid state containing a dierent triazine enantiomer. Self-assembly takes place in biological systems with a high level

  20. Communication: Towards the binding energy and vibrational red shift of the simplest organic hydrogen bond: Harmonic constraints for methanol dimer

    SciTech Connect (OSTI)

    Heger, Matthias; Suhm, Martin A.; Mata, Ricardo A., E-mail: rmata@gwdg.de [Georg-August-Universität Göttingen, Institut für Physikalische Chemie, Tammannstr. 6, 37077 Göttingen (Germany)

    2014-09-14T23:59:59.000Z

    The discrepancy between experimental and harmonically predicted shifts of the OH stretching fundamental of methanol upon hydrogen bonding to a second methanol unit is too large to be blamed mostly on diagonal and off-diagonal anharmonicity corrections. It is shown that a decisive contribution comes from post-MP2 electron correlation effects, which appear not to be captured by any of the popular density functionals. We also identify that the major deficiency is in the description of the donor OH bond. Together with estimates for the electronic and harmonically zero-point corrected dimer binding energies, this work provides essential constraints for a quantitative description of this simple hydrogen bond. The spectroscopic dissociation energy is predicted to be larger than 18 kJ/mol and the harmonic OH-stretching fundamental shifts by about ?121 cm{sup ?1} upon dimerization, somewhat more than in the anharmonic experiment (?111 cm{sup ?1})

  1. Blending Hydrogen into Natural Gas Pipeline Networks: A Review of Key Issues

    Fuel Cell Technologies Publication and Product Library (EERE)

    This study assesses the potential to deliver hydrogen through the existing natural gas pipeline network as a hydrogen and natural gas mixture to defray the cost of building dedicated hydrogen pipeline

  2. adhesively bonded shell: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    various conditions, including the type of surface preparation, pH of the environmental media, (more) Xu, Dingying 2004-01-01 2 Bond Characteristics and Qualifications of...

  3. The effect of large amplitude motions on the transition frequency redshift in hydrogen bonded complexes: A physical picture

    SciTech Connect (OSTI)

    Mackeprang, Kasper; Kjaergaard, Henrik G., E-mail: hgk@chem.ku.dk [Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ř (Denmark); Salmi, Teemu; Hänninen, Vesa; Halonen, Lauri, E-mail: lauri.halonen@helsinki.fi [Laboratory of Physical Chemistry, Department of Chemistry, P.O. Box 55, A.I. Virtasen aukio 1, FI-00014, University of Helsinki, Helsinki (Finland)] [Laboratory of Physical Chemistry, Department of Chemistry, P.O. Box 55, A.I. Virtasen aukio 1, FI-00014, University of Helsinki, Helsinki (Finland)

    2014-05-14T23:59:59.000Z

    We describe the vibrational transitions of the donor unit in water dimer with an approach that is based on a three-dimensional local mode model. We perform a perturbative treatment of the intermolecular vibrational modes to improve the transition wavenumber of the hydrogen bonded OH-stretching transition. The model accurately predicts the transition wavenumbers of the vibrations in water dimer compared to experimental values and provides a physical picture that explains the redshift of the hydrogen bonded OH-oscillator. We find that it is unnecessary to include all six intermolecular modes in the vibrational model and that their effect can, to a good approximation, be computed using a potential energy surface calculated at a lower level electronic structure method than that used for the unperturbed model.

  4. Hydrogen-Bonding Capability of a Templating Difluorotoluene Nucleotide Residue in an RB69 DNA Polymerase Ternary Complex

    SciTech Connect (OSTI)

    Xia, Shuangluo; Konigsberg, William H.; Wang, Jimin (Yale)

    2011-08-29T23:59:59.000Z

    Results obtained using 2,4-difluorotoluene nucleobase (dF) as a nonpolar thymine isostere by Kool and colleagues challenged the Watson-Crick dogma that hydrogen bonds between complementary bases are an absolute requirement for accurate DNA replication. Here, we report crystal structure of an RB69 DNA polymerase L561A/S565G/Y567A triple mutant ternary complex with a templating dF opposite dTTP at 1.8 {angstrom}-resolution. In this structure, direct hydrogen bonds were observed between: (i) dF and the incoming dTTP, (ii) dF and residue G568 of the polymerase, and (iii) dF and ordered water molecules surrounding the nascent base pair. Therefore, this structure provides evidence that a templating dF can form novel hydrogen bonds with the incoming dTTP and with the enzyme that differ from those formed with a templating dT.

  5. aliphatic ch bonds: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    2015-01-01 39 H-atom high-n Rydberg time-of-flight spectroscopy of CH bond fission in acrolein dissociated at 193 nm Chemistry Websites Summary: H-atom high-n Rydberg...

  6. Probing Minor Groove Hydrogen Bonding Interactions between RB69 DNA Polymerase and DNA

    SciTech Connect (OSTI)

    Xia, Shuangluo; Christian, Thomas D.; Wang, Jimin; Konigsberg, William H. (Yale)

    2012-09-17T23:59:59.000Z

    Minor groove hydrogen bonding (HB) interactions between DNA polymerases (pols) and N3 of purines or O2 of pyrimidines have been proposed to be essential for DNA synthesis from results obtained using various nucleoside analogues lacking the N3 or O2 contacts that interfered with primer extension. Because there has been no direct structural evidence to support this proposal, we decided to evaluate the contribution of minor groove HB interactions with family B pols. We have used RB69 DNA pol and 3-deaza-2'-deoxyadenosine (3DA), an analogue of 2-deoxyadenosine, which has the same HB pattern opposite T but with N3 replaced with a carbon atom. We then determined pre-steady-state kinetic parameters for the insertion of dAMP opposite dT using primer/templates (P/T)-containing 3DA. We also determined three structures of ternary complexes with 3DA at various positions in the duplex DNA substrate. We found that the incorporation efficiency of dAMP opposite dT decreased 10{sup 2}-10{sup 3}-fold even when only one minor groove HB interaction was missing. Our structures show that the HB pattern and base pair geometry of 3DA/dT is exactly the same as those of dA/dT, which makes 3DA an optimal analogue for probing minor groove HB interactions between a DNA polymerase and a nucleobase. In addition, our structures provide a rationale for the observed 10{sup 2}-10{sup 3}-fold decrease in the rate of nucleotide incorporation. The minor groove HB interactions between position n-2 of the primer strand and RB69pol fix the rotomer conformations of the K706 and D621 side chains, as well as the position of metal ion A and its coordinating ligands, so that they are in the optinal orientation for DNA synthesis.

  7. amide bond cleavage: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    the reactions of vanadyl ion and found that incubation of DNA with vanadyl ion and hydrogen peroxide (H202) led to intense DNA cleavage. ESR spin trapping demonstrated that...

  8. Polyaniline nanowires-gold nanoparticles hybrid network based chemiresistive hydrogen sulfide sensor

    E-Print Network [OSTI]

    Polyaniline nanowires-gold nanoparticles hybrid network based chemiresistive hydrogen sulfide for hydrogen sulfide detection and quantification using polyaniline nanowires-gold nanoparticles hybrid network.1063/1.3070237 Hydrogen sulfide H2S is a toxic, corrosive, and inflam- mable gas produced in sewage, coal mines, oil

  9. amide hydrogen exchange: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Economics of Hydrogen Technologies Renewable Energy Websites Summary: Internal Combustion Engine Transportation Applications Hydrogen Fuel Cell Vehicles Hydrogen Internal Power...

  10. The day/night switch of the circadian clock of synechococcus elongatus and hydrogen bonds of dna and rna

    E-Print Network [OSTI]

    Kim, Yong-Ick

    2009-05-15T23:59:59.000Z

    THE DAY/NIGHT SWITCH OF THE CIRCADIAN CLOCK OF SYNECHOCOCCUS ELONGATUS AND HYDROGEN BONDS OF DNA AND RNA A Dissertation by YONG-ICK KIM Submitted to the Office of Graduate Studies of Texas A&M University in partial fulfillment... Submitted to the Office of Graduate Studies of Texas A&M University in partial fulfillment of the requirements for the degree of DOCTOR OF PHILOSOPHY Approved by: Co-Chairs of Committee, Pingwei Li Andy C. LiWang Committee Members, Susan S...

  11. Electron spin-lattice relaxation in solid ethanol: the effect of nitroxyl radical hydrogen bonding and matrix disorder

    E-Print Network [OSTI]

    Marina Kveder; Dalibor Merunka; Milan Joki?; Janja Makarevi?; Boris Rakvin

    2010-08-24T23:59:59.000Z

    The electron spin-lattice relaxation of TEMPO and TEMPONE was measured at temperatures between 5 and 80 K in crystalline and glassy ethanol using X-band electron paramagnetic resonance spectroscopy. The experimental data at the lowest temperatures studied were explained in terms of electron-nuclear dipolar interaction between the paramagnetic center and the localized excitations, whereas at higher temperatures low-frequency vibrational modes from the host matrix and Raman processes should be considered. The strong impact of hydrogen bonding between the dopant molecule and ethanol host on the spin relaxation was observed in ethanol glass whereas in crystalline ethanol both paramagnetic guest molecules behaved similarly.

  12. Electron spin-lattice relaxation in solid ethanol: the effect of nitroxyl radical hydrogen bonding and matrix disorder

    E-Print Network [OSTI]

    Kveder, Marina; Joki?, Milan; Makarevi?, Janja; Rakvin, Boris

    2010-01-01T23:59:59.000Z

    The electron spin-lattice relaxation of TEMPO and TEMPONE was measured at temperatures between 5 and 80 K in crystalline and glassy ethanol using X-band electron paramagnetic resonance spectroscopy. The experimental data at the lowest temperatures studied were explained in terms of electron-nuclear dipolar interaction between the paramagnetic center and the localized excitations, whereas at higher temperatures low-frequency vibrational modes from the host matrix and Raman processes should be considered. The strong impact of hydrogen bonding between the dopant molecule and ethanol host on the spin relaxation was observed in ethanol glass whereas in crystalline ethanol both paramagnetic guest molecules behaved similarly.

  13. Distal hydrogen-bonding effects and cofacial bimetallic salen architectures for oxygen activation chemistry

    E-Print Network [OSTI]

    Yang, Jenny Yue-fon

    2007-01-01T23:59:59.000Z

    Two distinct structural scaffolds elaborated from Schiff-base macrocycles were designed to study the proton-coupled electron transfer chemistry of 0-0 bond forming and activation chemistry. The "Hangman" architecture is ...

  14. Bioinspired Molecular Co-Catalysts Bonded to a Silicon Photocathode for Solar Hydrogen Evolution

    SciTech Connect (OSTI)

    Hou, Yidong

    2011-11-08T23:59:59.000Z

    The production of fuels from sunlight represents one of the main challenges in the development of a sustainable energy system. Hydrogen is the simplest fuel to produce and although platinum and other noble metals are efficient catalysts for photoelectrochemical hydrogen evolution earth-abundant alternatives are needed for large-scale use. We show that bioinspired molecular clusters based on molybdenum and sulphur evolve hydrogen at rates comparable to that of platinum. The incomplete cubane-like clusters (Mo{sub 3}S{sub 4}) efficiently catalyse the evolution of hydrogen when coupled to a p-type Si semiconductor that harvests red photons in the solar spectrum. The current densities at the reversible potential match the requirement of a photoelectrochemical hydrogen production system with a solar-to-hydrogen efficiency in excess of 10% (ref. 16). The experimental observations are supported by density functional theory calculations of the Mo{sub 3}S{sub 4} clusters adsorbed on the hydrogen-terminated Si(100) surface, providing insights into the nature of the active site.

  15. anhydrous hydrogen fluoride: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    effect of Hydrogen Booster System on exhaust gases emissions of an internal combustion engine. The hydrogen booster produces hydrogen and oxygen using six water fuel cells and...

  16. Blending Hydrogen into Natural Gas Pipeline Networks: A Review of Key Issues

    SciTech Connect (OSTI)

    Melaina, M. W.; Antonia, O.; Penev, M.

    2013-03-01T23:59:59.000Z

    The United States has 11 distinct natural gas pipeline corridors: five originate in the Southwest, four deliver natural gas from Canada, and two extend from the Rocky Mountain region. This study assesses the potential to deliver hydrogen through the existing natural gas pipeline network as a hydrogen and natural gas mixture to defray the cost of building dedicated hydrogen pipelines.

  17. Molecular Orbital Analysis for the Hydrogen Molecule Ion Bond Frank Rioux

    E-Print Network [OSTI]

    Rioux, Frank

    in atomic units: H 1 2 r r 2 r d d d d 1 ra 1 rb 1 R = The energy integral to be minimized 1 R exp R 1 exp R 1 R 2 R 2 3 1 R Minimization of the energy of the hydrogen energy and error in total ground state energy. .1029 .0865 .1029 15.9378 % E R .6029 .6029 2

  18. Infrared spectra of hydrogen-bonded systems using a computer controlled color center laser

    E-Print Network [OSTI]

    Eue, William Charles

    1981-01-01T23:59:59.000Z

    of CH3CN'''HF Complex 3692 1 2 3 4 5 6 0 O 5- O I/I J3 3692 Figure 12. Spectra of HCN. HF Complex 3742 24 TABLE 3 Frequency Assignments of CH CN. . . HF Frequency Line No. cm-1 3626. 5 3629. 0 3631. 4 3634. 3 3637. 0 3639. 9 3642. 5...-bonded complexes with a resolution of ~0. 05 cm A stepper motor was interfaced to a minicomputer for the purpose of driving the laser grating. Software was developed to dri ve the motor and acqui re data. Infrared spectra were recorded for HCN, NH HCN 'HF...

  19. Two-dimensional protonic diffusion in a hydrogen-bonded compound CsOH . H2O, studied by solid state NMR

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    949 Two-dimensional protonic diffusion in a hydrogen-bonded compound CsOH . H2O, studied by solid césium hydroxide monohydrate CsH3O2 polycristallin révčle une diffusion protonique rapide dans ses phases hautes températures. Par mesure directe, la constante de diffusion est trouvée D = 1.2 10-5 exp(-1700/T

  20. The infrared spectroscopy of hydrogen-bonded bridges: 2-pyridone-,,water...n and 2-hydroxypyridine-,,water...n clusters, n1,2

    E-Print Network [OSTI]

    Zwier, Timothy S.

    The infrared spectroscopy of hydrogen-bonded bridges: 2-pyridone-,,water...n and 2-hydroxypyridine-pyridone 2PYR are studied in the hydride stretch region of the infrared using the techniques of resonant ion-dip infrared spectroscopy RIDIRS and fluorescence-dip infrared spectroscopy FDIRS . The results

  1. X-ray Absorption Spectroscopy and Density Functional Theory Studies of [(H3buea)FeIII-X]n1 (X= S2-, O2-,OH-): Comparison of Bonding and Hydrogen Bonding in Oxo and Sulfido Complexes

    SciTech Connect (OSTI)

    Dey, Abhishek; Hocking, Rosalie K.; /Stanford U., Chem. Dept.; Larsen, Peter; Borovik, Andrew S.; /Kansas U.; Hodgson, Keith O.; Hedman, Britt; Solomon, Edward I.; /SLAC,

    2006-09-27T23:59:59.000Z

    Iron L-edge, iron K-edge, and sulfur K-edge X-ray absorption spectroscopy was performed on a series of compounds [Fe{sup III}H{sub 3}buea(X)]{sup n-} (X = S{sup 2-}, O{sup 2-}, OH{sup -}). The experimentally determined electronic structures were used to correlate to density functional theory calculations. Calculations supported by the data were then used to compare the metal-ligand bonding and to evaluate the effects of H-bonding in Fe{sup III}-O vs Fe{sup III-}S complexes. It was found that the Fe{sup III-}O bond, while less covalent, is stronger than the FeIII-S bond. This dominantly reflects the larger ionic contribution to the Fe{sup III-}O bond. The H-bonding energy (for three H-bonds) was estimated to be -25 kcal/mol for the oxo as compared to -12 kcal/mol for the sulfide ligand. This difference is attributed to the larger charge density on the oxo ligand resulting from the lower covalency of the Fe-O bond. These results were extended to consider an Fe{sup IV-}O complex with the same ligand environment. It was found that hydrogen bonding to Fe{sup IV-}O is less energetically favorable than that to Fe{sup III-}O, which reflects the highly covalent nature of the Fe{sup IV-}O bond.

  2. Hydrogen Storage in Carbon Nanotubes Through Formation of C-H Bonds

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsruc DocumentationP-SeriesFlickr FlickrGuidedCH2MLLC HistoryVeteranstoHuub vanHydrodynamicHydrogen

  3. Hydrogen Storage in Carbon Nanotubes Through Formation of C-H Bonds

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsruc DocumentationP-SeriesFlickr FlickrGuidedCH2MLLC HistoryVeteranstoHuubHydrogen Storage in Carbon

  4. Hydrogen Storage in Carbon Nanotubes Through Formation of C-H Bonds

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation ProposedUsingFun withconfinementEtching. | EMSL Bubbles andof the Trough and(TiH2,Hydrogen

  5. asymmetric transfer hydrogenation: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    hydrogen transfer pipelines Team: Sudarsanam Suresh Babu, Z Pressure Permeation Testing) Hydrogen Pipeline R&D, Project Review Meeting Oak Ridge National Laboratory, Columbus,...

  6. Production of Hydrogen by Electrocatalysis: Making the H-H Bond by Combining Protons and Hydrides

    SciTech Connect (OSTI)

    Bullock, R. Morris; Appel, Aaron M.; Helm, Monte L.

    2014-03-25T23:59:59.000Z

    Generation of hydrogen by reduction of two protons by two electrons can be catalysed by molecular electrocatalysts. Determination of the thermodynamic driving force for elimination of H2 from molecular complexes is important for the rational design of molecular electrocatalysts, and allows the design of metal complexes of abundant, inexpensive metals rather than precious metals (“Cheap Metals for Noble Tasks”). The rate of H2 evolution can be dramatically accelerated by incorporating pendant amines into diphosphine ligands. These pendant amines in the second coordination sphere function as protons relays, accelerating intramolecular and intermolecular proton transfer reactions. The thermodynamics of hydride transfer from metal hydrides and the acidity of protonated pendant amines (pKa of N-H) contribute to the thermodynamics of elimination of H2; both of the hydricity and acidity can be systematically varied by changing the substituents on the ligands. A series of Ni(II) electrocatalysts with pendant amines have been developed. In addition to the thermochemical considerations, the catalytic rate is strongly influenced by the ability to deliver protons to the correct location of the pendant amine. Protonation of the amine endo to the metal leads to the N-H being positioned appropriately to favor rapid heterocoupling with the M-H. Designing ligands that include proton relays that are properly positioned and thermodynamically tuned is a key principle for molecular electrocatalysts for H2 production as well as for other multi-proton, multi-electron reactions important for energy conversions. The research 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. Pacific Northwest National Laboratory is operated by Battelle for DOE.

  7. Supply chain network for hydrogen transportation in Spain

    E-Print Network [OSTI]

    Liang, Li

    2010-01-01T23:59:59.000Z

    Hydrogen fuel is considered one of the major emerging renewable substitutes for fossil fuel. A crucial factor as to whether hydrogen will be successful depends on its cost as a substitute. Recently, there has been a growing ...

  8. E-Print Network 3.0 - adhesively bonded lap Sample Search Results

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    The lap-shear strengths of adhesively bonded polystyrene (PS), high-density polyethylene (HDPE... bonded in a lap-shear geometry. The bonded area of adhesion was nominally...

  9. aortic hydrogen peroxide: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    with diesel. Main focus of this research is to investigate the performance of diesel engine by injecting hydrogen peroxide as blends with diesel at 2%, 5% and 10 %...

  10. attenuate hydrogen peroxide: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    with diesel. Main focus of this research is to investigate the performance of diesel engine by injecting hydrogen peroxide as blends with diesel at 2%, 5% and 10 %...

  11. alkaline hydrogen peroxide: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    with diesel. Main focus of this research is to investigate the performance of diesel engine by injecting hydrogen peroxide as blends with diesel at 2%, 5% and 10 %...

  12. adding hydrogen peroxide: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    with diesel. Main focus of this research is to investigate the performance of diesel engine by injecting hydrogen peroxide as blends with diesel at 2%, 5% and 10 %...

  13. amperometric hydrogen peroxide: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    with diesel. Main focus of this research is to investigate the performance of diesel engine by injecting hydrogen peroxide as blends with diesel at 2%, 5% and 10 %...

  14. aqueous hydrogen peroxide: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    with diesel. Main focus of this research is to investigate the performance of diesel engine by injecting hydrogen peroxide as blends with diesel at 2%, 5% and 10 %...

  15. added hydrogen peroxide: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    with diesel. Main focus of this research is to investigate the performance of diesel engine by injecting hydrogen peroxide as blends with diesel at 2%, 5% and 10 %...

  16. anhydrous hydrogen peroxide: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    with diesel. Main focus of this research is to investigate the performance of diesel engine by injecting hydrogen peroxide as blends with diesel at 2%, 5% and 10 %...

  17. E-Print Network 3.0 - affects durably bonding Sample Search Results

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    adhesive layers are less affected, creep behavior of adhesively bonded joints... ABSTRACT SMITH, GLEN. Bond Characteristics and Qualifications of Adhesives for ... Source:...

  18. E-Print Network 3.0 - adhesive bond strength Sample Search Results

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    The lap-shear strengths of adhesively bonded polystyrene (PS), high-density polyethylene (HDPE... 12;strength of the substrate, or the adhesive strength of the bond 9....

  19. A series of Cd(II) complexes with {pi}-{pi} stacking and hydrogen bonding interactions: Structural diversities by varying the ligands

    SciTech Connect (OSTI)

    Wang Xiuli, E-mail: wangxiuli@bhu.edu.c [Faculty of Chemistry and Chemical Engineering, Bohai University, Jinzhou 121000 (China); Zhang Jinxia; Liu Guocheng; Lin Hongyan [Faculty of Chemistry and Chemical Engineering, Bohai University, Jinzhou 121000 (China)

    2011-02-15T23:59:59.000Z

    Seven new Cd(II) complexes consisting of different phenanthroline derivatives and organic acid ligands, formulated as [Cd(PIP){sub 2}(dnba){sub 2}] (1), [Cd(PIP)(ox)].H{sub 2}O (2), [Cd(PIP)(1,4-bdc)(H{sub 2}O)].4H{sub 2}O (3), [Cd(3-PIP){sub 2}(H{sub 2}O){sub 2}].4H{sub 2}O (4), [Cd{sub 2}(3-PIP){sub 4}(4,4'-bpdc)(H{sub 2}O){sub 2}].5H{sub 2}O (5), [Cd(3-PIP)(nip)(H{sub 2}O)].H{sub 2}O (6), [Cd{sub 2}(TIP){sub 4}(4,4'-bpdc)(H{sub 2}O){sub 2}].3H{sub 2}O (7) (PIP=2-phenylimidazo[4,5-f]1,10-phenanthroline, 3-PIP=2-(3-pyridyl)imidazo[4,5-f]1,10-phenanthroline, TIP=2-(2-thienyl)imidazo[4,5-f]1,10-phenanthroline, Hdnba=3,5-dinitrobenzoic acid, H{sub 2}ox=oxalic acid, 1,4-H{sub 2}bdc=benzene-1,4-dicarboxylic acid, 4,4'-H{sub 2}bpdc=biphenyl-4,4'-dicarboxylic acid, H{sub 2}nip=5-nitroisophthalic acid) have been synthesized under hydrothermal conditions. Complexes 1 and 4 possess mononuclear structures; complexes 5 and 7 are isostructural and have dinuclear structures; complexes 2 and 3 feature 1D chain structures; complex 6 contains 1D double chain, which are further extended to a 3D supramolecular structure by {pi}-{pi} stacking and hydrogen bonding interactions. The N-donor ligands with extended {pi}-system and organic acid ligands play a crucial role in the formation of the final supramolecular frameworks. Moreover, thermal properties and fluorescence of 1-7 are also investigated. -- Graphical abstract: Seven new supramolecular architectures have been successfully isolated under hydrothermal conditions by reactions of different phen derivatives and Cd(II) salts together with organic carboxylate anions auxiliary ligands. Display Omitted Research highlights: {yields} Complexes 1-7 are 0D or 1D polymeric structure, the {pi}-{pi} stacking and H-bonding interactions extend the complexes into 3D supramolecular network. To our knowledge, systematic study on {pi}-{pi} stacking and H-bonding interactions in cadmium(II) complexes are still limited. {yields} The structural differences among the title complexes indicate the importance of N-donor chelating ligands for the creation of molecular architectures. {yields} The thermal and fluorescence properties of title complexes have also been reported.

  20. Measurement of the 3D Born-Oppenheimer Potential of a Proton in a Hydrogen-Bonded System via Deep Inelastic Neutron Scattering: The Superprotonic Conductor Rb{sub 3}H(SO{sub 4}){sub 2}

    SciTech Connect (OSTI)

    Homouz, D.; Reiter, G. [Physics Department, University of Houston, Houston, Texas, 77204 (United States); Eckert, J. [LANSCE, Los Alamos National Laboratory, and University of California, Santa Barbara, California (United States); Mayers, J. [ISIS, Rutherford Appelton Laboratory, Chilton, Didcot, England (United Kingdom); Blinc, R. [Stefan Jozef Institut, Lubljana (Slovenia)

    2007-03-16T23:59:59.000Z

    We report the first direct measurement of the proton 3-D Born-Oppenheimer potential in any material. The proton potential surfaces in the hydrogen-bonded superprotonic conductor Rb{sub 3}H(SO{sub 4}){sub 2} are extracted from the momentum distribution measured using Deep Inelastic Neutron Scattering (DINS). The potential has a single minimum along the bond direction, which accounts for the absence of the antiferroelectric transition seen in the deuterated material. The measured potential is in qualitative agreement with phenomenological double Morse potentials that have been used to describe hydrogen bonds in other systems.

  1. E-Print Network 3.0 - aliphatic c-h bond Sample Search Results

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    during its thermal evolution Summary: ) aliphatic hydrogen concentration (integrated area in the 3000-2700 cm-1 , aliphatic C---H stretching modes... hydrogen concentration...

  2. Binding of the Respiratory Chain Inhibitor Antimycin to theMitochondrial bc1 Complex: A New Crystal Structure Reveals an AlteredIntramolecular Hydrogen-Bonding Pattern

    SciTech Connect (OSTI)

    Huang, Li-shar; Cobessi, David; Tung, Eric Y.; Berry, Edward A.

    2005-05-10T23:59:59.000Z

    Antimycin A (antimycin), one of the first known and most potent inhibitors of the mitochondrial respiratory chain, binds to the quinone reduction site of the cytochrome bc1 complex.Structure-activity-relationship studies have shown that the N-formylamino-salicyl-amide group is responsible for most of the binding specificity, and suggested that a low pKa for the phenolic OH group and an intramolecular H-bond between that OH and the carbonyl O of the salicylamide linkage are important. Two previous X-ray structures of antimycin bound to vertebrate bc1 complex gave conflicting results. A new structure reported here of the bovine mitochondrial bc1 complex at 2.28Angstrom resolution with antimycin bound, allows us for the first time to reliably describe the binding of antimycin and shows that the intramolecular hydrogen bond described in solution and in the small-molecule structure is replaced by one involving the NH rather than carbonyl O of the amide linkage, with rotation of the amide group relative to the aromatic ring. The phenolic OH and formylamino N form H-bonds with conserved Asp228 of cyt b, and the formylamino O H-bonds via a water molecule to Lys227. A strong density the right size and shape for a diatomic molecule is found between the other side of the dilactone ring and the alpha-A helix.

  3. E-Print Network 3.0 - aryl-metal bond chemistry Sample Search...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    metal bond chemistry Search Powered by Explorit Topic List Advanced Search Sample search results for: aryl-metal bond chemistry Page: << < 1 2 3 4 5 > >> 1 Subscriber access...

  4. atomic hydrogen irradiation: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    hydrogen irradiation First Page Previous Page 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 Next Page Last Page Topic Index 1 Synergistic Formation of Radicals...

  5. atomic hydrogen deuterium: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    hydrogen deuterium First Page Previous Page 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 Next Page Last Page Topic Index 1 ATOMIC DEUTERIUMHYDROGEN IN THE...

  6. atomic hydrogen adsorbate: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    atomic hydrogen adsorbate First Page Previous Page 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 Next Page Last Page Topic Index 1 Quantum delocalization and...

  7. aligned hydrogen molecules: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    aligned hydrogen molecules First Page Previous Page 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 Next Page Last Page Topic Index 1 Interference effects in...

  8. Critical percolation phase and thermal Berezinskii-Kosterlitz-Thouless transition in a scale-free network with short-range and long-range random bonds

    E-Print Network [OSTI]

    Berker, A. Nihat

    Percolation in a scale-free hierarchical network is solved exactly by renormalization-group theory in terms of the different probabilities of short-range and long-range bonds. A phase of critical percolation, with algebraic ...

  9. Bioengineering and Coordination of Regulatory Networks and Intracellular Complexes to Maximize Hydrogen Production by Phototrophic Microorganisms

    SciTech Connect (OSTI)

    Tabita, F. Robert [The Ohio State University] [The Ohio State University

    2013-07-30T23:59:59.000Z

    In this study, the Principal Investigator, F.R. Tabita has teemed up with J. C. Liao from UCLA. This project's main goal is to manipulate regulatory networks in phototrophic bacteria to affect and maximize the production of large amounts of hydrogen gas under conditions where wild-type organisms are constrained by inherent regulatory mechanisms from allowing this to occur. Unrestrained production of hydrogen has been achieved and this will allow for the potential utilization of waste materials as a feed stock to support hydrogen production. By further understanding the means by which regulatory networks interact, this study will seek to maximize the ability of currently available “unrestrained” organisms to produce hydrogen. The organisms to be utilized in this study, phototrophic microorganisms, in particular nonsulfur purple (NSP) bacteria, catalyze many significant processes including the assimilation of carbon dioxide into organic carbon, nitrogen fixation, sulfur oxidation, aromatic acid degradation, and hydrogen oxidation/evolution. Moreover, due to their great metabolic versatility, such organisms highly regulate these processes in the cell and since virtually all such capabilities are dispensable, excellent experimental systems to study aspects of molecular control and biochemistry/physiology are available.

  10. A Preorganized Hydrogen Bond Network and Its Effect on Anion Stability. |

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May Jun Jul(Summary)morphinanInformation Desert SouthwestTechnologies |November 2011A First LookMicroscopy for|EMSL Preorganized

  11. E-Print Network 3.0 - adhesively bonded aluminum Sample Search...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Centre de mathmatiques Collection: Mathematics 22 ELASTIC-PLASTIC MODE-II FRACTURE OF ADHESIVE JOINTS Summary: unit width) needed to deform an adhesively-bonded...

  12. E-Print Network 3.0 - anodically bonded glass-based Sample Search...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Science 32 APPLICATION OF MEMS TECHNOLOGY TO MICRO DIRECT METHANOL FUEL CELL Xiaowei Liu* Summary: , and anodic bonding. The starting material were two pieces of 3 in....

  13. alkane c-h bond: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    activation of functionalized hydrocarbons. II. CH and CCN bond activation of acetonitrile and benzonitrile. Open Access Theses and Dissertations Summary: ??Several...

  14. arene c-h bonds: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    activation of functionalized hydrocarbons. II. CH and CCN bond activation of acetonitrile and benzonitrile. Open Access Theses and Dissertations Summary: ??Several...

  15. E-Print Network 3.0 - actinidecarbon triple bonds Sample Search...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Adhesives that bond metals, plastics, FRP and other ... Source: Collection: Engineering 84 The accuracy of ab initio molecular geometries for systems containing second-row...

  16. adhesive bonding high-alumina: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    various conditions, including the type of surface preparation, pH of the environmental media, (more) Xu, Dingying 2004-01-01 2 Bond Characteristics and Qualifications of...

  17. Panel 2, Hydrogen Delivery in the Natural Gas Pipeline Network

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on Delicious RankCombustion | Department ofT ib l L d F SSalesOE0000652 Srivastava,Pacific1of PageHYDROGEN H 2 Gridin the

  18. California Hydrogen Highway Network October 3, 2007 | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on Delicious Rank EERE:YearRound-Up fromDepartmentTie Ltd:June 20154: CategoricalDepartmentFuel Cell Partnership -Hydrogen

  19. Heterolytic Cleavage of Hydrogen by an Iron Hydrogenase Model: An Fe-H - - - H-N Dihydorgen Bond Characterized by Neutron Diffraction

    SciTech Connect (OSTI)

    Liu, Tianbiao L.; Wang, Xiaoping; Hoffmann, Christina; DuBois, Daniel L.; Bullock, R. Morris

    2014-05-19T23:59:59.000Z

    Use of hydrogen as a fuel by [FeFe]-hydrogenase enzymes in nature requires heterolytic cleavage of the H-H bond into a proton (H+) and hydride (H-), a reaction that is also a critical step in homogeneous catalysts for hydrogenation of C=O and C=N bonds. An understanding of the catalytic oxidation of H2 by hydrogenases provides insights into the design of synthetic catalysts that are sought as cost-effective alternatives to the use of the precious metal platinum in fuel cells. Crystallographic studies on the [FeFe]-hydrogenase enzyme were critical to understanding of its reactivity, but the key H-H cleavage step is not readily observed experimentally in natural hydrogenases. Synthetic biomimics have provided evidence for H2 cleavage leading to hydride transfer to the metal and proton transfer to an amine. Limitations on the precise location of hydrogen atoms by x-ray diffraction can be overcome by use of neutron diffraction, though its use is severely limited by the difficulty of obtaining suitable crystals and by the scarcity of neutron sources. Here we show that an iron complex with a pendant amine in the diphosphine ligand cleaves hydrogen heterolytically under mild conditions, leading to [CpC5F4NFeH(PtBu2NtBu2H)]+BArF4-, [PtBu2NtBu2 = 1,5-di(tert-butyl)-3,7-di(tert-butyl)-1,5-diaza-3,7-diphosphacyclooctane; ArF = 3,5-bis(trifluoromethyl)phenyl]. The Fe-H- - - H-N moiety has a strong dihydrogen bond, with a remarkably short H • • • H distance of 1.489(10) Ĺ between the protic N-H?+ and hydridic Fe-H?-. The structural data for [CpC5F4NFeH(PtBu2NtBu2H)]+ provide a glimpse of how the H-H bond is oxidized or generated in hydrogenase enzymes, with the pendant amine playing a key role as a proton relay. The iron complex [CpC5F4NFeH(PtBu2NtBu2H)]+BArF4- is an electrocatalyst for oxidation of H2 (1 atm) at 22 °C, so the structural data are obtained on a complex that is a functional model for catalysis by [FeFe]-hydrogenase enzymes. This research 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. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.

  20. Combined CL/EBIC/DLTS investigation of a regular dislocation network formed by Si wafer direct bonding

    SciTech Connect (OSTI)

    Yu, X. [IHP (Germany); Vyvenko, O. [IHP/BTU Joint Lab (Germany); Kittler, M.; Seifert, W. [IHP (Germany); Mtchedlidze, T. [IHP/BTU Joint Lab (Germany); Arguirov, T. [IHP (Germany); Reiche, M. [MPI fuer Mikrostrukturphysik (Germany)

    2007-04-15T23:59:59.000Z

    Electrical levels of the dislocation network in Si and recombination processes via these levels were studied by means of the combination of grain-boundary deep level transient spectroscopy, grain-boundary electron beam induced current (GB-EBIC) and cathodoluminescence (CL). It was found two deep level traps and one shallow trap existed at the interface of the bonded interface; these supply the recombination centers for carriers. The total recombination probability based on GB-EBIC data increased with the excitation level monotonically; however, the radiative recombination based on D1-D2 CL data exhibited a maximum at a certain excitation level. By applying an external bias across the bonded interface, the CL signal of D-lines was enhanced dramatically. These results are consistent with our models about two channels of recombination via the trap levels.

  1. E-Print Network 3.0 - ag au bonded Sample Search Results

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Ag, Au, and Pb were deposited onto the 7 7 surface at low temperature 95 K .5... of a silicide within 12 ML with bonding characteristics of p-d hybridization.29-33 The Si-Au...

  2. E-Print Network 3.0 - azo covalent bond Sample Search Results

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Collection: Materials Science ; Chemistry 76 1,4-Dimethyl-l,4,5,6-hexahydro-l,2,3,4-tetrazine. A Cyclic cis-2-Tetrazene Summary: the N2-C bond in position for a large interaction...

  3. Quantitative Tools for Dissection of Hydrogen-Producing Metabolic Networks-Final Report

    SciTech Connect (OSTI)

    Rabinowitz, Joshua D.; Dismukes, G.Charles.; Rabitz, Herschel A.; Amador-Noguez, Daniel

    2012-10-19T23:59:59.000Z

    During this project we have pioneered the development of integrated experimental-computational technologies for the quantitative dissection of metabolism in hydrogen and biofuel producing microorganisms (i.e. C. acetobutylicum and various cyanobacteria species). The application of these new methodologies resulted in many significant advances in the understanding of the metabolic networks and metabolism of these organisms, and has provided new strategies to enhance their hydrogen or biofuel producing capabilities. As an example, using mass spectrometry, isotope tracers, and quantitative flux-modeling we mapped the metabolic network structure in C. acetobutylicum. This resulted in a comprehensive and quantitative understanding of central carbon metabolism that could not have been obtained using genomic data alone. We discovered that biofuel production in this bacterium, which only occurs during stationary phase, requires a global remodeling of central metabolism (involving large changes in metabolite concentrations and fluxes) that has the effect of redirecting resources (carbon and reducing power) from biomass production into solvent production. This new holistic, quantitative understanding of metabolism is now being used as the basis for metabolic engineering strategies to improve solvent production in this bacterium. In another example, making use of newly developed technologies for monitoring hydrogen and NAD(P)H levels in vivo, we dissected the metabolic pathways for photobiological hydrogen production by cyanobacteria Cyanothece sp. This investigation led to the identification of multiple targets for improving hydrogen production. Importantly, the quantitative tools and approaches that we have developed are broadly applicable and we are now using them to investigate other important biofuel producers, such as cellulolytic bacteria.

  4. Tight Bounds for Influence in Diffusion Networks and Application to Bond Percolation and Epidemiology

    E-Print Network [OSTI]

    Lemonnier, Remi; Vayatis, Nicolas

    2014-01-01T23:59:59.000Z

    In this paper, we derive theoretical bounds for the long-term influence of a node in an Independent Cascade Model (ICM). We relate these bounds to the spectral radius of a particular matrix and show that the behavior is sub-critical when this spectral radius is lower than $1$. More specifically, we point out that, in general networks, the sub-critical regime behaves in $O(\\sqrt{n})$ where $n$ is the size of the network, and that this upper bound is met for star-shaped networks. We apply our results to epidemiology and percolation on arbitrary networks, and derive a bound for the critical value beyond which a giant connected component arises. Finally, we show empirically the tightness of our bounds for a large family of networks.

  5. argon-seeded hydrogen sheet: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    effect of Hydrogen Booster System on exhaust gases emissions of an internal combustion engine. The hydrogen booster produces hydrogen and oxygen using six water fuel cells and...

  6. attenuates hydrogen peroxide-induced: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    effect of Hydrogen Booster System on exhaust gases emissions of an internal combustion engine. The hydrogen booster produces hydrogen and oxygen using six water fuel cells and...

  7. Hydrogen-based electrochemical energy storage

    DOE Patents [OSTI]

    Simpson, Lin Jay

    2013-08-06T23:59:59.000Z

    An energy storage device (100) providing high storage densities via hydrogen storage. The device (100) includes a counter electrode (110), a storage electrode (130), and an ion conducting membrane (120) positioned between the counter electrode (110) and the storage electrode (130). The counter electrode (110) is formed of one or more materials with an affinity for hydrogen and includes an exchange matrix for elements/materials selected from the non-noble materials that have an affinity for hydrogen. The storage electrode (130) is loaded with hydrogen such as atomic or mono-hydrogen that is adsorbed by a hydrogen storage material such that the hydrogen (132, 134) may be stored with low chemical bonding. The hydrogen storage material is typically formed of a lightweight material such as carbon or boron with a network of passage-ways or intercalants for storing and conducting mono-hydrogen, protons, or the like. The hydrogen storage material may store at least ten percent by weight hydrogen (132, 134) at ambient temperature and pressure.

  8. E-Print Network 3.0 - apocynin decreases hydrogen Sample Search...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    & Compression Summary: Hydrogen Delivery Liquefaction & Compression Raymond Drnevich Praxair - Tonawanda, NY Strategic... Initiatives for Hydrogen Delivery Workshop - May 7, 2003...

  9. E-Print Network 3.0 - activity recycles hydrogen Sample Search...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    & Compression Summary: Hydrogen Delivery Liquefaction & Compression Raymond Drnevich Praxair - Tonawanda, NY Strategic... Initiatives for Hydrogen Delivery Workshop - May 7, 2003...

  10. E-Print Network 3.0 - acoustic wave hydrogen Sample Search Results

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    & Compression Summary: Hydrogen Delivery Liquefaction & Compression Raymond Drnevich Praxair - Tonawanda, NY Strategic... Initiatives for Hydrogen Delivery Workshop - May 7, 2003...

  11. E-Print Network 3.0 - absolute standard hydrogen Sample Search...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Embrittlement... Hydrogen Delivery Liquefaction & Compression Raymond Drnevich Praxair - Tonawanda, NY Strategic... Initiatives for Hydrogen Delivery Workshop - May 7, 2003...

  12. Engineering and Coordination of Regulatory Networks and Intracellular Complexes to Maximize Hydrogen Production by Phototrophic Microorganisms

    SciTech Connect (OSTI)

    James C. Liao

    2012-05-22T23:59:59.000Z

    This project is a collaboration with F. R. Tabita of Ohio State. Our major goal is to understand the factors and regulatory mechanisms that influence hydrogen production. The organisms to be utilized in this study, phototrophic microorganisms, in particular nonsulfur purple (NSP) bacteria, catalyze many significant processes including the assimilation of carbon dioxide into organic carbon, nitrogen fixation, sulfur oxidation, aromatic acid degradation, and hydrogen oxidation/evolution. Our part of the project was to develop a modeling technique to investigate the metabolic network in connection to hydrogen production and regulation. Organisms must balance the pathways that generate and consume reducing power in order to maintain redox homeostasis to achieve growth. Maintaining this homeostasis in the nonsulfur purple photosynthetic bacteria is a complex feat with many avenues that can lead to balance, as these organisms possess versatile metabolic capabilities including anoxygenic photosynthesis, aerobic or anaerobic respiration, and fermentation. Growth is achieved by using H{sub 2} as an electron donor and CO{sub 2} as a carbon source during photoautotrophic and chemoautotrophic growth, where CO{sub 2} is fixed via the Calvin-Benson-Bassham (CBB) cycle. Photoheterotrophic growth can also occur when alternative organic carbon compounds are utilized as both the carbon source and electron donor. Regardless of the growth mode, excess reducing equivalents generated as a result of oxidative processes, must be transferred to terminal electron acceptors, thus insuring that redox homeostasis is maintained in the cell. Possible terminal acceptors include O{sub 2}, CO{sub 2}, organic carbon, or various oxyanions. Cells possess regulatory mechanisms to balance the activity of the pathways which supply energy, such as photosynthesis, and those that consume energy, such as CO{sub 2} assimilation or N{sub 2} fixation. The major route for CO{sub 2} assimilation is the CBB reductive pentose phosphate pathway, whose key enzyme is ribulose 1,5-biphosphate carboxylase/oxygenase (RubisCO). In addition to providing virtually all cellular carbon during autotrophic metabolism, RubisCO-mediated CO{sub 2} assimilation is also very important for nonsulfur purple photosynthetic bacteria under photoheterotrophic growth conditions since CO{sub 2} becomes the major electron sink under these conditions. In this work, Ensemble Modeling (EM) was developed to examine the behavior of CBB-compromised RubisCO knockout mutant strains of the nonsulfur purple photosynthetic bacterium Rhodobacter sphaeroides. Mathematical models of metabolism can be a great aid in studying the effects of large perturbations to the system, such as the inactivation of RubisCO. Due to the complex and highly-interconnected nature of these networks, it is not a trivial process to understand what the effect of perturbations to the metabolic network will be, or vice versa, what enzymatic perturbations are necessary to yield a desired effect. Flux distribution is controlled by multiple enzymes in the network, often indirectly linked to the pathways of interest. Further, depending on the state of the cell and the environmental conditions, the effect of a perturbation may center around how it effects the carbon flow in the network, the balancing of cofactors, or both. Thus, it is desirable to develop mathematical models to describe, understand, and predict network behavior. Through the development of such models, one may gain the ability to generate a set of testable hypotheses for system behavior.

  13. E-Print Network 3.0 - advancing bio-hydrogen presentation Sample...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    producing bio-hydrogen 27 2.3.3 Photo-fermentation producing bio-hydrogen 28 2.3.4 Biogas production 28 2... Dark fermentation producing bio-hydrogen Photo-fermentation...

  14. E-Print Network 3.0 - aspect ratio hydrogen Sample Search Results

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Summary: of fuel cells is an extremely important aspect in the production of hydrogen. Fuel cells function... HYDROGEN There is a good chance that hydrogen will be the shining...

  15. E-Print Network 3.0 - advanced nuclear-electrolytic hydrogen...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    of H2 from Hydrocarbon Fuels Novel Catalytic... ) Fossil-Based Hydrogen Production Praxair Praxair ... Source: DOE Office of Energy Efficiency and Renewable Energy, Hydrogen,...

  16. E-Print Network 3.0 - atomic hydrogen density Sample Search Results

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    > >> 1 Theoretical study on interaction of hydrogen with single-walled boron nitride nanotubes. II. Collision, storage, and adsorption Summary: two hydrogen atoms, but only one of...

  17. E-Print Network 3.0 - atomic hydrogen gas Sample Search Results

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    and Fuel Summary: : Physical storage of compressed hydrogen gas in high pressure tanks (up to 700 bar); Physical storage... of a material either as hydrogen molecules (H2...

  18. E-Print Network 3.0 - atomic hydrogen passivation Sample Search...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Technology Ventures July 13, 2005 12;2 Chevron 2005 CTV Hydrogen Strategy... Develop organizational capability to be a market leader should hydrogen be adopted in the ......

  19. E-Print Network 3.0 - automotive hydrogen supply Sample Search...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    market. The cost goal is to supply hydrogen at 8MMBtu... - Seymour, IN Figure 2. Praxair HGS On-Site Supply System 3 Proceedings of the 2002 U.S. DOE Hydrogen... Low Cost...

  20. E-Print Network 3.0 - alternative fuel hydrogen Sample Search...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    hydrogen Search Powered by Explorit Topic List Advanced Search Sample search results for: alternative fuel hydrogen Page: << < 1 2 3 4 5 > >> 1 A U.S. Department of Energy...

  1. E-Print Network 3.0 - alternative hydrogen production Sample...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    a number of countries have quite a substantial production of hydrogen, among these are Germany and the USA... . In the Nordic countries most of the production of hydrogen is...

  2. E-Print Network 3.0 - applications hydrogen vehicle Sample Search...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Page: << < 1 2 3 4 5 > >> 1 Vision for Rollout of Fuel Cell Vehicles and Hydrogen Fuel Stations Summary: Vision for Rollout of Fuel Cell Vehicles and Hydrogen Fuel Stations...

  3. E-Print Network 3.0 - array-based electrochemical hydrogen Sample...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ... Source: DOE Office of Energy Efficiency and Renewable Energy, Hydrogen, Fuel Cells and Infrastructure Technologies Program Collection: Energy Storage, Conversion...

  4. E-Print Network 3.0 - agency hydrogen-powered transit Sample...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ... Source: DOE Office of Energy Efficiency and Renewable Energy, Hydrogen, Fuel Cells and Infrastructure Technologies Program Collection: Energy Storage, Conversion...

  5. Prospects for the hydrogen transition based on the network economic approach

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    : Portugal (2007)" #12;2 Introduction Hydrogen produced from renewable sources and used in fuel cells, without the infrastructure it is not likely that hydrogen and fuel cell technology can be diffused. Even though hydrogen production is still more costly than for other fuels--particularly gasoline

  6. Gaseous Hydrogen Delivery Breakout

    E-Print Network [OSTI]

    Gaseous Hydrogen Delivery Breakout Strategic Directions for Hydrogen Delivery Workshop May 7 detection Pipeline Safety: odorants, flame visibility Compression: cost, reliability #12;Breakout Session goal of a realistic, multi-energy distribution network model Pipeline Technology Improved field

  7. Comparison of Idealized and Real-World City Station Citing Models for Hydrogen Distribution

    E-Print Network [OSTI]

    Yang, Christopher; Nicholas, Michael A; Ogden, Joan M

    2006-01-01T23:59:59.000Z

    the hydrogen delivery networks (trucks and pipelines) thattruck and pipeline network paths from hydrogen depot forlength of pipeline and truck-based hydrogen delivery modes,

  8. E-Print Network 3.0 - atomic hydrogen generated Sample Search...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    to greenhouse gas emissions: 1... generation or the transportation sector 18-20. 3. Hydrogen costs by electrolysis A case study... is needed, due to longer periods without...

  9. E-Print Network 3.0 - ab5-type hydrogen storage Sample Search...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    understanding of storage mechanisms... are the premier laboratory in carbon aerogels and have explored their use for hydrogen storage and gas separation... . Preliminary...

  10. E-Print Network 3.0 - alternative hydrogen energy Sample Search...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    energy Search Powered by Explorit Topic List Advanced Search Sample search results for: alternative hydrogen energy Page: << < 1 2 3 4 5 > >> 1 EERE Information Center...

  11. E-Print Network 3.0 - anaerobic hydrogen producing Sample Search...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    a small percentage of hydrogen sulfide, water vapor, carbon... Technology Biomethane (biogas) is an alternative and renewable energy source produced through the anaerobic... are...

  12. E-Print Network 3.0 - aerobic hydrogen accumulation Sample Search...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    accumulation in the system (9). If high concentrations... to be measured as total biogas pro- duction. Hydrogen gas does not ordinarily ... Source: Logan, Bruce E.- Department...

  13. E-Print Network 3.0 - atomic hydrogen cleaning Sample Search...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    is ... Source: DOE Office of Energy Efficiency and Renewable Energy, Hydrogen, Fuel Cells and Infrastructure Technologies Program Collection: Energy Storage, Conversion...

  14. E-Print Network 3.0 - autonomous solar hydrogen Sample Search...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    VALIDATION ... Source: DOE Office of Energy Efficiency and Renewable Energy, Hydrogen, Fuel Cells and Infrastructure Technologies Program Collection: Energy Storage, Conversion...

  15. E-Print Network 3.0 - agency hydrogen implementing Sample Search...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    if ... Source: DOE Office of Energy Efficiency and Renewable Energy, Hydrogen, Fuel Cells and Infrastructure Technologies Program Collection: Energy Storage, Conversion...

  16. E-Print Network 3.0 - automotive hydrogen storage Sample Search...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    An ... Source: DOE Office of Energy Efficiency and Renewable Energy, Hydrogen, Fuel Cells and Infrastructure Technologies Program Collection: Energy Storage, Conversion...

  17. E-Print Network 3.0 - adsorbed hydrogen technical Sample Search...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    tech- ... Source: DOE Office of Energy Efficiency and Renewable Energy, Hydrogen, Fuel Cells and Infrastructure Technologies Program Collection: Energy Storage, Conversion...

  18. E-Print Network 3.0 - added hydrogeneous moderator Sample Search...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Gaseous ... Source: DOE Office of Energy Efficiency and Renewable Energy, Hydrogen, Fuel Cells and Infrastructure Technologies Program Collection: Energy Storage, Conversion...

  19. E-Print Network 3.0 - atomic hydrogen review Sample Search Results

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    20 I-NERI ... Source: DOE Office of Energy Efficiency and Renewable Energy, Hydrogen, Fuel Cells and Infrastructure Technologies Program Collection: Energy Storage, Conversion...

  20. Doped Carbon Nanotubes for Hydrogen Storage

    E-Print Network [OSTI]

    Doped Carbon Nanotubes for Hydrogen Storage U. S. DOE Hydrogen Program Annual Review May, 2003 structure carbon nanotube systems ·Not restricted to physisorption or chemisorption (weak covalent bond structures of doped carbon nanotubes APPROACH Based on C-H bond Dihydrogen bond H H M = + charge = - charge

  1. Bonding Structure of Phenylacetylene on Hydrogen-Terminated Si(111) and Si(100): Surface Photoelectron Spectroscopy Analysis and Ab Initio Calculations

    SciTech Connect (OSTI)

    M Kondo; T Mates; D Fischer; F Wudl; E Kramer

    2011-12-31T23:59:59.000Z

    Interfaces between phenylacetylene (PA) monolayers and two silicon surfaces, Si(111) and Si(100), are probed by X-ray photoelectron spectroscopy (XPS), ultraviolet photoelectron spectroscopy (UPS), and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy, and the results are analyzed using ab initio molecular orbital calculations. The monolayer systems are prepared via the surface hydrosilylation reaction between PA and hydrogen-terminated silicon surfaces. The following spectral features are obtained for both of the PA-Si(111) and PA-Si(100) systems: a broad {pi}-{pi}* shakeup peak at 292 eV (XPS), a broad first ionization peak at 3.8 eV (UPS), and a low-energy C 1s {yields} {pi}* resonance peak at 284.3 eV (NEXAFS). These findings are ascribed to a styrene-like {pi}-conjugated molecular structure at the PA-Si interface by comparing the experimental data with theoretical analysis results. A conclusion is drawn that the vinyl group can keep its {pi}-conjugation character on the hydrogen-terminated Si(100) [H:Si(100)] surface composed of the dihydride (SiH{sub 2}) groups as well as on hydrogen-terminated Si(111) having the monohydride (SiH) group. The formation mechanism of the PA-Si(100) interface is investigated within cluster ab initio calculations, and the possible structure of the H:Si(100) surface is discussed based on available data.

  2. ORNL: Low-Cost Direct Bonded Aluminum (DBA) Substrates (Agreement...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Direct Bonded Aluminum (DBA) Substrates (Agreement ID:23278) 2013 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Program Annual Merit Review and Peer...

  3. E-Print Network 3.0 - agency hydrogen powered Sample Search Results

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Laboratory Summary: ICC model codes do not include hydrogen as an energy source or fuel cells as either a power... . The participating members of the HCSCC to date include the...

  4. J. Mol. Biol. (1988) 201, 751-754 Aromatic Rings Act as Hydrogen

    E-Print Network [OSTI]

    Levitt, Michael

    J. Mol. Biol. (1988) 201, 751-754 Aromatic Rings Act as Hydrogen Bond Acceptors Michael Levitt that there is a significant interaction between a hydrogen bond donor (like the > NH group) and the centre of a benzene ring, which acts as a hydrogen bond acceptor. This interaction, hvdrogen bond, which is about half as strong

  5. Integrating large-scale functional genomics data to dissect metabolic networks for hydrogen production

    SciTech Connect (OSTI)

    Harwood, Caroline S

    2012-12-17T23:59:59.000Z

    The goal of this project is to identify gene networks that are critical for efficient biohydrogen production by leveraging variation in gene content and gene expression in independently isolated Rhodopseudomonas palustris strains. Coexpression methods were applied to large data sets that we have collected to define probabilistic causal gene networks. To our knowledge this a first systems level approach that takes advantage of strain-to strain variability to computationally define networks critical for a particular bacterial phenotypic trait.

  6. Hybrid Two-Dimensional Electronic Systems and Other Applications of sp-2 Bonded Light Elements

    E-Print Network [OSTI]

    Kessler, Brian Maxwell

    2010-01-01T23:59:59.000Z

    A.4 A.5 vii List of Tables DOE Hydrogen Storage Targets forsp-2 Bonded Materials 5 Hydrogen Storage 5.1 Motivation andJeffrey R. Long. Hydrogen storage in a microporous metal-

  7. Hydrogenation of single-walled carbon nanotubes

    E-Print Network [OSTI]

    Anton Nikitin; Hirohito Ogasawara; David Mann; Reinhard Denecke; Zhiyong Zhang; Hongjie Dai; KJ Cho; Anders Nilsson

    2005-10-14T23:59:59.000Z

    Towards the development of a useful mechanism for hydrogen storage, we have studied the hydrogenation of single-walled carbon nanotubes with atomic hydrogen using core-level photoelectron spectroscopy and x-ray absorption spectroscopy. We find that atomic hydrogen creates C-H bonds with the carbon atoms in the nanotube walls and such C-H bonds can be com-pletely broken by heating to 600 oC. We demonstrate approximately 65+/-15 at % hydrogenation of carbon atoms in the single-walled carbon nanotubes which is equivalent to 5.1+/-1.2 weight % hydrogen capacity. We also show that the hydrogenation is a reversible process.

  8. From Waste to Hydrogen: An Optimal Design of Energy Production and Distribution Network

    E-Print Network [OSTI]

    Fan, Yueyue

    at costs similar to producing hydrogen from natural gas, a non-renewable energy source. We also provide: (530)7546408 #12;2 1. Introduction Transportation and energy industries are closely dependent on each States. The number is still growing despite increases in energy efficiency. For example, over last twenty

  9. aerobic hydrogen-consuming bacteria: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    aerobic hydrogen-consuming bacteria First Page Previous Page 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 Next Page Last Page Topic Index 1 Diversity of...

  10. Observation of a remarkable temperature effect in the hydrogen bonding structure and dynamics of the CN-(H2O) cluster

    SciTech Connect (OSTI)

    Wang, Xue B.; Werhahn, Jasper C.; Wang, Lai S.; Kowalski, Karol; Laubereau, Alfred; Xantheas, Sotiris S.

    2009-09-03T23:59:59.000Z

    The CN-(H2O) cluster represents a model diatomic monohydrate with multiple solvation sites. We report joint experimental and theoretical studies of its structure and dynamics using temperature-controlled photoelectron spectroscopy (PES) and ab-initio electronic structure calculations. The observed PES spectra of CN-(H2O) display a remarkable temperature effect, namely that the T=12 K spectrum shows an unexpectedly large blue shift of 0.25 eV in the electron binding energy relative to the Room Temperature (RT) spectrum. Extensive theoretical analysis of the potential energy function (PEF) of the cluster at the CCSD(T) level of theory reveal the existence of two nearly isoenergetic isomers corresponding to H2O forming a H-bond with either the C or the N atom, respectively. This results in four topologically distinct minima, i.e., CN-(HaOHb), CN-(HbOHa), NC-(HaOHb) and NC-(HbOHa). There are two main pathways connecting these minima: (i) CN- tumbling relative to water and (ii) water rocking relative to CN-. The relative magnitude of the barriers associated with these two motions reverses between low [pathway (i) is preferred] and high [pathway (ii) is preferred] temperatures. As a result, at T=12 K the cluster adopts a structure that is close to the minimum energy CN-(H2O) configuration, while at RT it can effectively access regions of the PEF close to the transition state for pathway (ii), explaining the surprisingly large spectral shift between the 12 K and RT PES spectra. This work was supported by the Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences, US Department of Energy. Battelle operates Pacific Northwest National Laboratory for the US Department of Energy.

  11. Polymer system for gettering hydrogen

    DOE Patents [OSTI]

    Shepodd, Timothy Jon (330 Thrasher Ave., Livermore, Alameda County, CA 94550); Whinnery, LeRoy L. (4929 Julie St., Livermore, Alameda County, CA 94550)

    2000-01-01T23:59:59.000Z

    A novel composition comprising organic polymer molecules having carbon-carbon double bonds, for removing hydrogen from the atmosphere within enclosed spaces. Organic polymers molecules containing carbon-carbon double bonds throughout their structures, preferably polybutadiene, polyisoprene and derivatives thereof, intimately mixed with an insoluble catalyst composition, comprising a hydrogenation catalyst and a catalyst support, preferably Pd supported on carbon, provide a hydrogen getter composition useful for removing hydrogen from enclosed spaces even in the presence of contaminants such as common atmospheric gases, water vapor, carbon dioxide, ammonia, oil mists, and water. The hydrogen getter composition disclosed herein is particularly useful for removing hydrogen from enclosed spaces containing potentially explosive mixtures of hydrogen and oxygen.

  12. Polymer formulations for gettering hydrogen

    DOE Patents [OSTI]

    Shepodd, Timothy Jon (Livermore, CA); Whinnery, LeRoy L. (Livermore, CA)

    1998-11-17T23:59:59.000Z

    A novel composition comprising organic polymer molecules having carbon-carbon double bonds, for removing hydrogen from the atmosphere within enclosed spaces. Organic polymers molecules containing carbon-carbon double bonds throughout their structures, preferably polybutadiene, polyisoprene and derivatives thereof, intimately mixed with an insoluble catalyst composition, comprising a hydrogenation catalyst and a catalyst support, preferably Pd supported on carbon, provide a hydrogen getter composition useful for removing hydrogen from enclosed spaces even in the presence of contaminants such as common atmospheric gases, water vapor, carbon dioxide, ammonia, oil mists, and water. The hydrogen getter composition disclosed herein is particularly useful for removing hydrogen from enclosed spaces containing potentially explosive mixtures of hydrogen and oxygen.

  13. Blending Hydrogen into Natural Gas Pipeline Networks: A Review of Key Issues

    Broader source: Energy.gov (indexed) [DOE]

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May Jun Jul(Summary) "ofEarly Career Scientists' ResearchTheMarketing,Energy andNews and updates from theBiomass inBlending Hydrogen

  14. Investing in Bonds

    E-Print Network [OSTI]

    Johnson, Jason; Polk, Wade

    2002-08-12T23:59:59.000Z

    Bonds, which are issued by governments and corporations, can be an important part of one's investment portfolio. U.S. government bonds, municipal bonds, zero-coupon bonds and other types are described. Also learn strategies for coping with inflation...

  15. Simultaneous adsorption of carbon and hydrogen on Ni(100). Nature of new forms of hydrogen absorption

    SciTech Connect (OSTI)

    Avdeev, V.I.

    1987-07-01T23:59:59.000Z

    The authors have analyzed the form of hydrogen adsorption on Ni(100) upon simultaneous adsorption of carbon and hydrogen in the cluster approximation using the nonempirical Hartree-Fock method with subsequent allowance for electron correlation energy. The effect of carbon on the adsorbed hydrogen layer is indirect, through the surface metal atoms; and this perturbation is so great that it leads to substantial change in the type of bonding of the hydrogen to the surface. The calculations predict two types of adsorbed hydrogen on Ni(100). In the symmetric state /sup 2/A', the hydrogen has a modified four-coordinate bond with surface nickel atoms (the B/sub 4/ state) at a short distance to the surface (R/sub perpendicular to/ approx. 0.05 A). In this state, the adsorbed hydrogen tends to penetrate into the volume. In the other antisymmetry state /sup 2/A'', the hydrogen has a bridge bond (the B/sub 2/ state). The calculations predict that in this state the strength of the bond between hydrogen and the surface is greater than in the B/sub 4/ state. The bridge structure for hydrogen is not subject to a strong effect from adsorbed carbon. On the basis of an analysis of the calculated vibrational frequencies of the hydrogen-surface bond and other electronic parameters, they propose possible surface structures for hydrogen and carbon when they are simultaneously adsorbed on Ni(100)

  16. Executive Summaries for the Hydrogen Storage Materials Center...

    Broader source: Energy.gov (indexed) [DOE]

    bonds. Some work had been done on 'activated' hydrocarbons systems by researchers at Air Products; and the release of hydrogen from ammonia borane was known largely through...

  17. Electronic structures of transition metal to hydrogen bonds: oxidative addition of dihydrogen to a square planar rhodium complex and quantum mechanical prediction of the geometry of a metal hydride

    E-Print Network [OSTI]

    Halpin, Carolyn F.

    2012-06-07T23:59:59.000Z

    and Johnson have examined the stereoselectivity of the addition of diatonuc hydrogen to iridium(I) complexes. These four- coordinated complexes oxidatively add molecular hydrogen, giving octahedral products. It is evident from their work... to the thermodynamic product shown in Figure 3c. Thus, the incoming hydrogens are contained in a single plane (YZ plane) and the complete reaction profile could be described by as few as 5 parameters (o, 4, 8, R and r which are diagrammed in Figure 6). The distance...

  18. The Ties That Bond: Re-Examining the Relationship between Facebook Use and Bonding Social Capital

    E-Print Network [OSTI]

    Michigan, University of

    The Ties That Bond: Re-Examining the Relationship between Facebook Use and Bonding Social Capital established a positive relationship between measures of Facebook use and perceptions of social capital. Like other social network sites, Facebook is especially well-positioned to enhance users' bridging social

  19. FOCUS: HYDROGEN EXCHANGE AND COVALENT MODIFICATION ACCOUNT AND PERSPECTIVE

    E-Print Network [OSTI]

    Englander, S. Walter

    hydrogen exchange behavior, understand the underlying chemistry and structural physics of hydrogen exchange-protected by their H-bonding interactions, they engage in continual ex- change with the hydrogens of solvent water of the underlying chemistry and structural phys- ics of protein HX processes. The study of protein hydrogen exchange

  20. Surety Bond Program (Maryland)

    Broader source: Energy.gov [DOE]

    The Surety Bond Program, a program of the Maryland Small Business Development Financing Authority, assists eligible small businesses in obtaining bid, performance or payment bonds necessary to...

  1. Determination of Optimal Process Flowrates and Reactor Design for Autothermal Hydrogen Production in a Heat-Integrated Ceramic Microchannel Network

    E-Print Network [OSTI]

    Damodharan, Shalini

    2012-07-16T23:59:59.000Z

    emissions [19]. Hence, hydrogen can be produced on large scale from biomass feedstocks in centralized facilities and subsequently distributed at fueling stations and/or community locations as a universal clean fuel for transportation and power...

  2. FTIR Difference Spectroscopy Studies of Residue Roles at the Mn4Ca Cluster and the Hydrogen Bonding Network in Photosystem II

    E-Print Network [OSTI]

    Service, Rachel J.

    2011-01-01T23:59:59.000Z

    the Photosynthetic Oxygen- Evolving Center Coord. Chem. Rev.the Photosynthetic Oxygen-Evolving Center, Coord. Chem. Rev.Photosynthetic Oxygen- Evolving Center, Coord. Chem. Rev.

  3. Hydrogen sensor

    DOE Patents [OSTI]

    Duan, Yixiang (Los Alamos, NM); Jia, Quanxi (Los Alamos, NM); Cao, Wenqing (Katy, TX)

    2010-11-23T23:59:59.000Z

    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.

  4. Bond Financing (New Jersey)

    Broader source: Energy.gov [DOE]

    Bond financing is available to eligible businesses through the New Jersey Economic Development Authority, in the amount of $500,000 to $10 million. The bonds can be used to finance capital...

  5. Local Government Revenue Bonds (Montana)

    Broader source: Energy.gov [DOE]

    Limited obligation local government bonds ("special revenue bonds") may be issued for qualified electric energy generation facilities, including those powered by renewables. These bonds generally...

  6. Role of interatomic bonding in the mechanical anisotropy and interlayer cohesion of CSH crystals

    SciTech Connect (OSTI)

    Dharmawardhana, C.C. [Department of Physics and Astronomy, University of Missouri—Kansas City, Kansas City, MO 64110 (United States)] [Department of Physics and Astronomy, University of Missouri—Kansas City, Kansas City, MO 64110 (United States); Misra, A. [Department of Civil, Environmental, and Architectural Engineering, University of Kansas, Lawrence, KS 66045 (United States)] [Department of Civil, Environmental, and Architectural Engineering, University of Kansas, Lawrence, KS 66045 (United States); Aryal, S.; Rulis, P. [Department of Physics and Astronomy, University of Missouri—Kansas City, Kansas City, MO 64110 (United States)] [Department of Physics and Astronomy, University of Missouri—Kansas City, Kansas City, MO 64110 (United States); Ching, W.Y., E-mail: ccdxz8@mail.umkc.edu [Department of Physics and Astronomy, University of Missouri—Kansas City, Kansas City, MO 64110 (United States)

    2013-10-15T23:59:59.000Z

    Atomic scale properties of calcium silicate hydrate (CSH), the main binding phase of hardened Portland cement, are not well understood. Over a century of intense research has identified almost 50 different crystalline CSH minerals which are mainly categorized by their Ca/Si ratio. The electronic structure and interatomic bonding in four major CSH crystalline phases with structures close to those found in hardened cement are investigated via ab initio methods. Our result reveals the critical role of hydrogen bonding and importance of specifying precise locations for water molecules. Quantitative analysis of contributions from different bond types to the overall cohesion shows that while the Si-O covalent bonds dominate, the hydrogen bonding and Ca-O bonding are also very significant. Calculated results reveal the correlation between bond topology and interlayer cohesion. The overall bond order density (BOD) is found to be a more critical measure than the Ca/Si ratio in classifying different CSH crystals.

  7. Code for Hydrogen Hydrogen Pipeline

    E-Print Network [OSTI]

    #12;2 Code for Hydrogen Pipelines Hydrogen Pipeline Working Group Workshop Augusta, Georgia August development · Charge from BPTCS to B31 Standards Committee for Hydrogen Piping/Pipeline code development · B31.12 Status & Structure · Hydrogen Pipeline issues · Research Needs · Where Do We Go From Here? #12;4 Code

  8. Bonding thermoplastic polymers

    DOE Patents [OSTI]

    Wallow, Thomas I. (Fremont, CA); Hunter, Marion C. (Livermore, CA); Krafcik, Karen Lee (Livermore, CA); Morales, Alfredo M. (Livermore, CA); Simmons, Blake A. (San Francisco, CA); Domeier, Linda A. (Danville, CA)

    2008-06-24T23:59:59.000Z

    We demonstrate a new method for joining patterned thermoplastic parts into layered structures. The method takes advantage of case-II permeant diffusion to generate dimensionally controlled, activated bonding layers at the surfaces being joined. It is capable of producing bonds characterized by cohesive failure while preserving the fidelity of patterned features in the bonding surfaces. This approach is uniquely suited to production of microfluidic multilayer structures, as it allows the bond-forming interface between plastic parts to be precisely manipulated at micrometer length scales. The bond enhancing procedure is easily integrated in standard process flows and requires no specialized equipment.

  9. Florida Hydrogen Initiative

    SciTech Connect (OSTI)

    Block, David L

    2013-06-30T23:59:59.000Z

    The Florida Hydrogen Initiative (FHI) was a research, development and demonstration hydrogen and fuel cell program. The FHI program objectives were to develop Florida?s hydrogen and fuel cell infrastructure and to assist DOE in its hydrogen and fuel cell activities The FHI program funded 12 RD&D projects as follows: Hydrogen Refueling Infrastructure and Rental Car Strategies -- L. Lines, Rollins College This project analyzes strategies for Florida's early stage adaptation of hydrogen-powered public transportation. In particular, the report investigates urban and statewide network of refueling stations and the feasibility of establishing a hydrogen rental-car fleet based in Orlando. Methanol Fuel Cell Vehicle Charging Station at Florida Atlantic University ? M. Fuchs, EnerFuel, Inc. The project objectives were to design, and demonstrate a 10 kWnet proton exchange membrane fuel cell stationary power plant operating on methanol, to achieve an electrical energy efficiency of 32% and to demonstrate transient response time of less than 3 milliseconds. Assessment of Public Understanding of the Hydrogen Economy Through Science Center Exhibits, J. Newman, Orlando Science Center The project objective was to design and build an interactive Science Center exhibit called: ?H2Now: the Great Hydrogen Xchange?. On-site Reformation of Diesel Fuel for Hydrogen Fueling Station Applications ? A. Raissi, Florida Solar Energy Center This project developed an on-demand forecourt hydrogen production technology by catalytically converting high-sulfur hydrocarbon fuels to an essentially sulfur-free gas. The removal of sulfur from reformate is critical since most catalysts used for the steam reformation have limited sulfur tolerance. Chemochromic Hydrogen Leak Detectors for Safety Monitoring ? N. Mohajeri and N. Muradov, Florida Solar Energy Center This project developed and demonstrated a cost-effective and highly selective chemochromic (visual) hydrogen leak detector for safety monitoring at any facility engaged in transport, handling and use of hydrogen. Development of High Efficiency Low Cost Electrocatalysts for Hydrogen Production and PEM Fuel Cell Applications ? M. Rodgers, Florida Solar Energy Center The objective of this project was to decrease platinum usage in fuel cells by conducting experiments to improve catalyst activity while lowering platinum loading through pulse electrodeposition. Optimum values of several variables during electrodeposition were selected to achieve the highest electrode performance, which was related to catalyst morphology. Understanding Mechanical and Chemical Durability of Fuel Cell Membrane Electrode Assemblies ? D. Slattery, Florida Solar Energy Center The objective of this project was to increase the knowledge base of the degradation mechanisms for membranes used in proton exchange membrane fuel cells. The results show the addition of ceria (cerium oxide) has given durability improvements by reducing fluoride emissions by an order of magnitude during an accelerated durability test. Production of Low-Cost Hydrogen from Biowaste (HyBrTec?) ? R. Parker, SRT Group, Inc., Miami, FL This project developed a hydrogen bromide (HyBrTec?) process which produces hydrogen bromide from wet-cellulosic waste and co-produces carbon dioxide. Eelectrolysis dissociates hydrogen bromide producing recyclable bromine and hydrogen. A demonstration reactor and electrolysis vessel was designed, built and operated. Development of a Low-Cost and High-Efficiency 500 W Portable PEMFC System ? J. Zheng, Florida State University, H. Chen, Bing Energy, Inc. The objectives of this project were to develop a new catalyst structures comprised of highly conductive buckypaper and Pt catalyst nanoparticles coated on its surface and to demonstrate fuel cell efficiency improvement and durability and cell cost reductions in the buckypaper based electrodes. Development of an Interdisciplinary Hydrogen and Fuel Cell Technology Academic Program ? J. Politano, Florida Institute of Technology, Melbourne, FL This project developed a hydrogen and fuel cel

  10. Private Activity Revenue Bonds (Maryland)

    Broader source: Energy.gov [DOE]

    Private Activity Revenue Bonds are available in the form of both taxable bonds and tax-exempt bonds. Both types of bonds provide access to long-term capital markets for fixed asset financing....

  11. Liquid Hydrogen Delivery - Strategic Directions for Hydrogen...

    Broader source: Energy.gov (indexed) [DOE]

    Liquid Hydrogen Delivery - Strategic Directions for Hydrogen Delivery Workshop Liquid Hydrogen Delivery - Strategic Directions for Hydrogen Delivery Workshop Targets, barriers and...

  12. Polymer formulations for gettering hydrogen

    DOE Patents [OSTI]

    Shepodd, Timothy J. (330 Thrasher Ave., Livermore, CA 94550); Even, Jr., William R. (4254 Drake Way, Livermore, CA 94550)

    2000-01-01T23:59:59.000Z

    A novel method for preparing a hydrogenation composition comprising organic polymer molecules having carbon--carbon double bonds, for removing hydrogen from the atmosphere within enclosed spaces and particularly from atmospheres within enclosed spaces that contain air, water vapor, oxygen, carbon dioxide or ammonia. The organic polymers molecules containing carbon--carbon double bonds throughout their structures, preferably polybutadiene, polyisoprene and derivatives thereof, intimately mixed with an insoluble noble metal catalyst composition. High molecular weight polymers may be added to the organic polymer/catalyst mixture in order to improve their high temperature performance. The hydrogenation composition is prepared by dispersing the polymers in a suitable solvent, forming thereby a solution suspension, flash-freezing droplets of the solution in a liquid cryogen, freeze-drying the frozen droplets to remove frozen solvent incorporated in the droplets, and recovering the dried powder thus formed.

  13. Foreign trade zones and bonded warehouses for luxury goods

    E-Print Network [OSTI]

    Petrova, Nadya (Nadya Naydenova)

    2013-01-01T23:59:59.000Z

    We explore and compare the benefits of establishing and operating Foreign Trade Zones (FTZs) and Bonded Warehouses (BWs) for luxury goods in North America, using the case of the distribution network of Ralph Lauren Corporation ...

  14. Reliability of Bonded Interfaces

    Broader source: Energy.gov [DOE]

    2013 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting

  15. Hydrogen Analysis

    Broader source: Energy.gov [DOE]

    Presentation on Hydrogen Analysis to the DOE Systems Analysis Workshop held in Washington, D.C. July 28-29, 2004 to discuss and define role of systems analysis in DOE Hydrogen Program.

  16. Nuclear Hydrogen

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Hydrogen High temperature options for nuclear generation of hydrogen on a commercial basis are several years in the future. Thermo-chemical water splitting has been proven to be...

  17. Hydrogen Safety

    Fuel Cell Technologies Publication and Product Library (EERE)

    This 2-page fact sheet, intended for a non-technical audience, explains the basic properties of hydrogen and provides an overview of issues related to the safe use of hydrogen as an energy carrier.

  18. Hydrogen Storage

    Fuel Cell Technologies Publication and Product Library (EERE)

    This 2-page fact sheet provides a brief introduction to hydrogen storage technologies. Intended for a non-technical audience, it explains the different ways in which hydrogen can be stored, as well a

  19. Trending: Metal Oxo Bonds

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    including materials science, chemistry, and biology. Highly covalent metal-oxygen multiple bonds (metal oxos) are the building blocks of metal oxides and have a bearing...

  20. Hydrogen dynamics and light-induced structural changes in hydrogenated amorphous silicon T. A. Abtew* and D. A. Drabold

    E-Print Network [OSTI]

    Drabold, David

    Hydrogen dynamics and light-induced structural changes in hydrogenated amorphous silicon T. A first-principles methods to study the network dynamics of hydrogenated amorphous silicon, including the motion of hydrogen. In addition to studies of atomic dynamics in the electronic ground state, we also

  1. Hydrogenation apparatus

    DOE Patents [OSTI]

    Friedman, J.; Oberg, C. L.; Russell, L. H.

    1981-06-23T23:59:59.000Z

    Hydrogenation reaction apparatus is described comprising a housing having walls which define a reaction zone and conduits for introducing streams of hydrogen and oxygen into the reaction zone, the oxygen being introduced into a central portion of the hydrogen stream to maintain a boundary layer of hydrogen along the walls of the reaction zone. A portion of the hydrogen and all of the oxygen react to produce a heated gas stream having a temperature within the range of from 1,100 to 1,900 C, while the boundary layer of hydrogen maintains the wall temperature at a substantially lower temperature. The heated gas stream is introduced into a hydrogenation reaction zone and provides the source of heat and hydrogen for a hydrogenation reaction. There also is provided means for quenching the products of the hydrogenation reaction. The present invention is particularly suitable for the hydrogenation of low-value solid carbonaceous materials to provide high yields of more valuable liquid and gaseous products. 2 figs.

  2. New Pathways and Metrics for Enhanced, Reversible Hydrogen Storage in Boron-Doped Carbon Nanospaces

    SciTech Connect (OSTI)

    Pfeifer, Peter [University of Missouri; Wexler, Carlos [University of Missouri; Hawthorne, M. Frederick [University of Missouri; Lee, Mark W. [University of Missouri; Jalistegi, Satish S. [University of Missouri

    2014-08-14T23:59:59.000Z

    This project, since its start in 2007—entitled “Networks of boron-doped carbon nanopores for low-pressure reversible hydrogen storage” (2007-10) and “New pathways and metrics for enhanced, reversible hydrogen storage in boron-doped carbon nanospaces” (2010-13)—is in support of the DOE's National Hydrogen Storage Project, as part of the DOE Hydrogen and Fuel Cells Program’s comprehensive efforts to enable the widespread commercialization of hydrogen and fuel cell technologies in diverse sectors of the economy. Hydrogen storage is widely recognized as a critical enabling technology for the successful commercialization and market acceptance of hydrogen powered vehicles. Storing sufficient hydrogen on board a wide range of vehicle platforms, at energy densities comparable to gasoline, without compromising passenger or cargo space, remains an outstanding technical challenge. Of the main three thrust areas in 2007—metal hydrides, chemical hydrogen storage, and sorption-based hydrogen storage—sorption-based storage, i.e., storage of molecular hydrogen by adsorption on high-surface-area materials (carbons, metal-organic frameworks, and other porous organic networks), has emerged as the most promising path toward achieving the 2017 DOE storage targets of 0.055 kg H2/kg system (“5.5 wt%”) and 0.040 kg H2/liter system. The objective of the project is to develop high-surface-area carbon materials that are boron-doped by incorporation of boron into the carbon lattice at the outset, i.e., during the synthesis of the material. The rationale for boron-doping is the prediction that boron atoms in carbon will raise the binding energy of hydro- gen from 4-5 kJ/mol on the undoped surface to 10-14 kJ/mol on a doped surface, and accordingly the hydro- gen storage capacity of the material. The mechanism for the increase in binding energy is electron donation from H2 to electron-deficient B atoms, in the form of sp2 boron-carbon bonds. Our team is proud to have demonstrated the predicted increase in binding energy experimentally, currently at ~10 kJ/mol. The synthetic route for incorporation of boron at the outset is to create appropriately designed copoly- mers, with a boron-free and a boron-carrying monomer, followed by pyrolysis of the polymer, yielding a bo- ron-substituted carbon scaffold in which boron atoms are bonded to carbon atoms by synthesis. This is in contrast to a second route (funded by DE-FG36-08GO18142) in which first high-surface area carbon is cre- ated and doped by surface vapor deposition of boron, with incorporation of the boron into the lattice the final step of the fabrication. The challenge in the first route is to create high surface areas without compromising sp2 boron-carbon bonds. The challenge in the second route is to create sp2 boron-carbon bonds without com- promising high surface areas.

  3. Effect of temperature on layer separation by plasma-hydrogenation

    SciTech Connect (OSTI)

    Di, Zengfeng [Los Alamos National Laboratory; Michael, Nastasi A [Los Alamos National Laboratory; Wang, Yongqiang [Los Alamos National Laboratory

    2008-01-01T23:59:59.000Z

    We have studied hydrogen diffusion in plasma hydrogenated Si/SiGe/Si heterostructure at different temperatures. At low temperature, intrinsic point defects in the molecular beam epitaxy grown Si capping layer are found to compete with the buried strain SiGe layer for hydrogen trapping. The interaction of hydrogen with point defects affects the hydrogen long-range diffusion, and restricts the amount of hydrogen available for trapping by the SiGe layer. However, hydrogen trapping by the capping layer is attenuated with increasing hydrogenation temperature allowing more hydrogen to be trapped in the strain SiGe layer with subsequent surface blister formation. A potential temperature window for plasma hydrogenation induced layer separation is identified based on the combined considerations of trap-limited diffusion at low temperature and outdiffusion of H{sub 2} molecule together with the dissociation of Si-H bonds inside of H platelet at high temperature.

  4. Qualified Energy Conservation Bonds (QECBs) - State Issues &...

    Broader source: Energy.gov (indexed) [DOE]

    Qualified Energy Conservation Bonds (QECBs) - State Issues & Approaches Qualified Energy Conservation Bonds (QECBs) - State Issues & Approaches Qualified Energy Conservation Bonds...

  5. Wafer-Level Thermocompression Bonds

    E-Print Network [OSTI]

    Tsau, Christine H.

    Thermocompression bonding of gold is a promising technique for achieving low temperature, wafer-level bonding without the application of an electric field or complicated pre-bond cleaning procedure. The presence of a ductile ...

  6. Bond Financing Program (New Hampshire)

    Broader source: Energy.gov [DOE]

    BFA’s Bond Financing Program offers tax-exempt and taxable bonds for fixed-asset expansion projects. Industrial development revenue bonds can be used by manufacturers for the acquisition,...

  7. Fourier-Transform infrared study of weak adsorption of hydrogen on Pt/SiO sub 2

    SciTech Connect (OSTI)

    Szilagyi, T. (Institute of Isotopes, Budapest (Hungary))

    1990-02-01T23:59:59.000Z

    Infrared spectra of weakly bound hydrogen were studied between 300 and 400 K and 1 to 10{sup 5} Pa. A Temkin-type isotherm was found, indicative of surface heterogeneity. Asymmetric infrared band shapes show that several kinds of weakly bonded hydrogen coexist on the surface, having essentially the same kind of bonding but differing slightly in bond strength. The type of interaction between adsorbed hydrogen and carbon monoxide in the surface layer is also discussed.

  8. Low Temperature Material Bonding Technique

    DOE Patents [OSTI]

    Ramsey, J. Michael (Knoxville, TN); Foote, Robert S. (Oak Ridge, TN)

    2000-10-10T23:59:59.000Z

    A method of performing a lower temperature bonding technique to bond together two mating pieces of glass includes applying a sodium silicate aqueous solution between the two pieces.

  9. Low temperature material bonding technique

    DOE Patents [OSTI]

    Ramsey, J. Michael (Knoxville, TN); Foote, Robert S. (Oak Ridge, TN)

    2002-02-12T23:59:59.000Z

    A method of performing a lower temperature bonding technique to bond together two mating pieces of glass includes applying a sodium silicate aqueous solution between the two pieces.

  10. Green Infrastructure Bonds (Hawaii)

    Broader source: Energy.gov [DOE]

    In July 2013, Hawaii enacted legislation allowing the Department of Business, Economic Development, and Tourism to issue Green Infrastructure Bonds to secture low-cost financing for clean energy...

  11. Bonding aerogels with polyurethanes

    SciTech Connect (OSTI)

    Matthews, F.M.; Hoffman, D.M.

    1989-11-01T23:59:59.000Z

    Aerogels, porous silica glasses with ultra-fine cell size (30nm), are made by a solution gelation (sol-gel) process. The resulting gel is critical point dried to densities from 0.15--0.60 g/cc. This material is machinable, homogeneous, transparent, coatable and bondable. To bond aerogel an adhesive should have long cure time, no attack on the aerogel structure, and high strength. Several epoxies and urethanes were examined to determine if they satisfied these conditions. Bond strengths above 13 psi were found with double bubble and DP-110 epoxies and XI-208/ODA-1000 and Castall U-2630 urethanes. Hardman Kalex Tough Stuff'' A-85 hardness urethane gave 18 psi bond strength. Hardman A-85, Tuff-Stuff'' was selected for further evaluation because it produced bond strengths comparable to the adherend cohesive strength. 5 refs., 2 figs.

  12. Hydrogen Bibliography

    SciTech Connect (OSTI)

    Not Available

    1991-12-01T23:59:59.000Z

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

  13. Energetics of hydrogen in amorphous silicon: An ab initio study Blair Tuttle*

    E-Print Network [OSTI]

    Adams, James B

    and diffusion are well under- stood. The details of hydrogen transport and bonding in amor- phous silicon have bonding and diffusion.7 The quantity Ea in Fig. 1 is the activation energy for long-range diffusion, Em to H diffusion in c-Si with the bond center site being the transport level.8,11 Regarding the shallow

  14. A linear-scaling self-consistent generalization of the multistate empirical valence bond method for multiple excess protons in aqueous

    E-Print Network [OSTI]

    Simons, Jack

    Grot- thuss who proposed a hydrogen­oxygen shuttling mecha- nism to explain electrolysis of water.20 multiple excess protons within the context of molecular-dynamics simulation. The computational cost molecule and forms a valence bond with that oxygen atom. Meanwhile, one of the valence-bonded hydrogen

  15. Hydrogen Production

    Fuel Cell Technologies Publication and Product Library (EERE)

    This 2-page fact sheet provides a brief introduction to hydrogen production technologies. Intended for a non-technical audience, it explains how different resources and processes can be used to produ

  16. Resummed thermodynamic perturbation theory for bond cooperativity in associating fluids

    SciTech Connect (OSTI)

    Marshall, Bennett D., E-mail: bennettd1980@gmail.com; Chapman, Walter G. [Department of Chemical and Biomolecular Engineering, Rice University, 6100 S. Main, Houston, Texas 77005 (United States)] [Department of Chemical and Biomolecular Engineering, Rice University, 6100 S. Main, Houston, Texas 77005 (United States)

    2013-12-07T23:59:59.000Z

    We develop a resummed thermodynamic perturbation theory for bond cooperativity in associating fluids by extension of Wertheim's multi-density formalism. We specifically consider the case of an associating hard sphere with two association sites and both pairwise and triplet contributions to the energy, such that the first bond in an associated cluster receives an energy ??{sup (1)} and each subsequent bond in the cluster receives an energy ??{sup (2)}. To test the theory we perform new Monte Carlo simulations for potentials of this type. Theory and simulation are found to be in excellent agreement. We show that decreasing the energetic benefit of hydrogen bonding can actually result in a decrease in internal energy in the fluid. We also predict that when ?{sup (1)} = 0 and ?{sup (2)} is nonzero there is a transition temperature where the system transitions from a fluid of monomers to a mixture of monomers and very long chains.

  17. Dynamics of hydrogen in silicon

    SciTech Connect (OSTI)

    Shirai, Koun [ISIR, Osaka University, 8-1, Mihogaoka, Ibaraki, Osaka 567-0047 (Japan); Hamada, Ikutaro [International Center for Materials Nanoarchitectonics, NIMS, 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan); Katayama-Yoshida, Hiroshi [Grad. School of Eng. Sci., Osaka University, 1-3, Machikaneyama, Toyonaka 560-8531 (Japan)

    2014-02-21T23:59:59.000Z

    The frequency of local hydrogen vibration in silicon and its decay process have been studied theoretically. It is believed that the H in Si is located at the bond center in equilibrium. By analyzing the discrepancy between the frequency of the antisymmetric stretching mode in a frozen-phonon calculation and the frequency in a molecular dynamic simulation, it is found that the Si–H–Si bond is dynamically bending. The reason is that the adiabatic potential along a direction perpendicular to the bond axis is so flat that random thermal motion of atoms easily scatters the H atom from the axis. A fast relaxation (?1 ps) around the axis hides this bending from observation by slow-response measurements. One consequence of the bending is that it renders the frequency of the symmetric stretching mode higher than when the bond is not bent. Another, more interesting consequence of this bending is the fast decay rate of the antisymmetric stretching mode, in spite of its local-mode character. Again, the ease of conversion of the H motion from parallel to perpendicular to the bond axis is the cause of this fast decay, which is otherwise difficult to explain by a simple combination law of frequencies.

  18. NORDIC HYDROGEN ENERGY FORESIGHT CHALLENGES OF MANAGING THE INTERACTIVE PROCESS

    E-Print Network [OSTI]

    1 NORDIC HYDROGEN ENERGY FORESIGHT ­ CHALLENGES OF MANAGING THE INTERACTIVE PROCESS Annele Eerola the managerial challenges of the Nordic Hydrogen Energy Foresight, a joint effort of the five Nordic countries for successful introduction of hydrogen energy. Development of Nordic networks to gain the required critical mass

  19. Thread bonds in molecules

    E-Print Network [OSTI]

    Ivlev, B

    2015-01-01T23:59:59.000Z

    Unusual chemical bonds are proposed. Each bond is almost covalent but is characterized by the thread of a small radius $\\sim 0.6\\times 10^{-11}$cm, between two nuclei in a molecule. The main electron density is concentrated outside the thread as in a covalent bond. The thread is formed by the electron wave function which has a tendency to be singular on it. The singularity along the thread is cut off by electron "vibrations" due to the interaction with zero point electromagnetic oscillations. The electron energy has its typical value of (1-10)eV. Due to the small tread radius the uncertainty of the electron momentum inside the thread is large resulting in a large electron kinetic energy $\\sim 1 MeV$. This energy is compensated by formation of a potential well due to the reduction of the energy of electromagnetic zero point oscillations. This is similar to formation of a negative van der Waals potential. Thread bonds are stable and cannot be created or destructed in chemical or optical processes.

  20. Exchange of deeply trapped and interstitial hydrogen in silicon Blair Tuttle

    E-Print Network [OSTI]

    Adams, James B

    Exchange of deeply trapped and interstitial hydrogen in silicon Blair Tuttle Department of Physics Engineering, Arizona State University, Tempe, Arizona 85287-6006 Received 22 May 1998; revised manuscript mechanisms between an interstitial hydrogen atom and a deeply bound H at a silicon-hydrogen bond. We

  1. Adaptive Accelerated ReaxFF Reactive Dynamics with Validation from Simulating Hydrogen Combustion

    E-Print Network [OSTI]

    Goddard III, William A.

    Adaptive Accelerated ReaxFF Reactive Dynamics with Validation from Simulating Hydrogen Combustion concept (BB), which we validate here for describing hydrogen combustion. The bond order, undercoordination determined the detailed sequence of reactions for hydrogen combustion with and without the BB. We validate

  2. Hydrogen Pipeline Working Group Workshop: Code for Hydrogen Pipelines...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Working Group Workshop: Code for Hydrogen Pipelines Hydrogen Pipeline Working Group Workshop: Code for Hydrogen Pipelines Code for Hydrogen Piping and Pipelines. B31 Hydrogen...

  3. Hydrogen program overview

    SciTech Connect (OSTI)

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

    1997-12-31T23:59:59.000Z

    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.

  4. Chemically bonded phospho-silicate ceramics

    DOE Patents [OSTI]

    Wagh, Arun S. (Orland Park, IL); Jeong, Seung Y. (Westmont, IL); Lohan, Dirk (Chicago, IL); Elizabeth, Anne (Chicago, IL)

    2003-01-01T23:59:59.000Z

    A chemically bonded phospho-silicate ceramic formed by chemically reacting a monovalent alkali metal phosphate (or ammonium hydrogen phosphate) and a sparsely soluble oxide, with a sparsely soluble silicate in an aqueous solution. The monovalent alkali metal phosphate (or ammonium hydrogen phosphate) and sparsely soluble oxide are both in powder form and combined in a stochiometric molar ratio range of (0.5-1.5):1 to form a binder powder. Similarly, the sparsely soluble silicate is also in powder form and mixed with the binder powder to form a mixture. Water is added to the mixture to form a slurry. The water comprises 50% by weight of the powder mixture in said slurry. The slurry is allowed to harden. The resulting chemically bonded phospho-silicate ceramic exhibits high flexural strength, high compression strength, low porosity and permeability to water, has a definable and bio-compatible chemical composition, and is readily and easily colored to almost any desired shade or hue.

  5. adaptive ligand recognition: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    DNA changes the overall mechanic response of the dsDNA Bielefeld, Universitt 365 Hydrogen Bonding Penalty upon Ligand Binding Hongtao Zhao, Danzhi Huang* Biology and Medicine...

  6. acidic conjugate cleavage: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    and Studies on Persistent Intramolecular CHX (X O, S, Br, Cl, and F) Hydrogen Bonds Involving Benzyl Meldrums Acids. Open Access Theses and Dissertations...

  7. ariel satellites: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    of the protein backbone is locally hampered by formation of an intramolecular hydrogen bond which Berry, R. Stephen 12 Published OnlineFirst July 28, 2011.Cancer Discovery...

  8. asymmetric protein component: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    with polypeptide-like local conformational restrictions and environment-dependent hydrogen bonding-like interactions. Huseyin Kaya; Hue Sun Chan 2000-10-11 10 Confinement to...

  9. alpha 1-microglobulin chromophore: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    chromophore and the protein matrix is responsible modifications of the chromophore environment in far-red FPs is the introduction of a hydrogen bond between Verkhusha, Vladislav...

  10. Hydrogen Permeability and Integrity of Hydrogen

    E-Print Network [OSTI]

    Hydrogen Permeability and Integrity of Hydrogen Delivery Pipelines Z. Feng*, L.M. Anovitz*, J and industry expectations · DOE Pipeline Working Group and Tech Team activities - FRP Hydrogen Pipelines - Materials Solutions for Hydrogen Delivery in Pipelines - Natural Gas Pipelines for Hydrogen Use #12;3 OAK

  11. Hydrogen Technologies Group

    SciTech Connect (OSTI)

    Not Available

    2008-03-01T23:59:59.000Z

    The Hydrogen Technologies Group at the National Renewable Energy Laboratory advances the Hydrogen Technologies and Systems Center's mission by researching a variety of hydrogen technologies.

  12. The Hype About Hydrogen

    E-Print Network [OSTI]

    Mirza, Umar Karim

    2006-01-01T23:59:59.000Z

    economy based on the hydrogen fuel cell, but this cannot beus to look toward hydrogen. Fuel cell basics, simplifiedthe path to fuel cell commercialization. Hydrogen production

  13. Hydrogen Transition Infrastructure Analysis

    SciTech Connect (OSTI)

    Melendez, M.; Milbrandt, A.

    2005-05-01T23:59:59.000Z

    Presentation for the 2005 U.S. Department of Energy Hydrogen Program review analyzes the hydrogen infrastructure needed to accommodate a transitional hydrogen fuel cell vehicle demand.

  14. Network analysis of proton transfer in liquid water

    SciTech Connect (OSTI)

    Shevchuk, Roman; Rao, Francesco, E-mail: francesco.rao@frias.uni-freiburg.de [Freiburg Institute for Advanced Studies, School of Soft Matter Research, Freiburg im Breisgau (Germany); Agmon, Noam [Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem (Israel)

    2014-06-28T23:59:59.000Z

    Proton transfer in macromolecular systems is a fascinating yet elusive process. In the last ten years, molecular simulations have shown to be a useful tool to unveil the atomistic mechanism. Notwithstanding, the large number of degrees of freedom involved make the accurate description of the process very hard even for the case of proton diffusion in bulk water. Here, multi-state empirical valence bond molecular dynamics simulations in conjunction with complex network analysis are applied to study proton transfer in liquid water. Making use of a transition network formalism, this approach takes into account the time evolution of several coordinates simultaneously. Our results provide evidence for a strong dependence of proton transfer on the length of the hydrogen bond solvating the Zundel complex, with proton transfer enhancement as shorter bonds are formed at the acceptor site. We identify six major states (nodes) on the network leading from the “special pair” to a more symmetric Zundel complex required for transferring the proton. Moreover, the second solvation shell specifically rearranges to promote the transfer, reiterating the idea that solvation beyond the first shell of the Zundel complex plays a crucial role in the process.

  15. Economic Development Bond Program (Iowa)

    Broader source: Energy.gov [DOE]

    Through its Economic Development Bond Program, the Iowa Finance Authority (IFA) issues tax-exempt bonds on behalf of private entities or organizations for eligible purposes. The responsibility for...

  16. Private Activity Bond Allocation (Missouri)

    Broader source: Energy.gov [DOE]

    The Private Activity Bond Allocation Program provides low-interest financing through tax-exempt bonds for certain types of projects, including electric and gas utility projects. Eligible applicants...

  17. Albert Bond | Department of Energy

    Broader source: Energy.gov (indexed) [DOE]

    Bond - Project Officer, Golden Field Office Albert Bond is a Project Officer at the Golden Field Office. Most Recent New Choctaw Nation Recycling Center Posts Quick Results March 8...

  18. A Double-Deletion Method to Quantifying Incremental Binding Energies in Proteins from Experiment: Example of a Destabilizing Hydrogen

    E-Print Network [OSTI]

    Sancho, Javier

    A Double-Deletion Method to Quantifying Incremental Binding Energies in Proteins from Experiment: Example of a Destabilizing Hydrogen Bonding Pair Luis A. Campos,*y Santiago Cuesta-Lo´pez,*z Jon Lo of a specific hydrogen bond in apoflavodoxin to protein stability is investigated by combining theory

  19. Bond and Loan Program (Arkansas)

    Broader source: Energy.gov [DOE]

    The Bond and Loan programs of Arkansas are four programs designed to attract small business development within the state.

  20. Overview of interstate hydrogen pipeline systems.

    SciTech Connect (OSTI)

    Gillette, J .L.; Kolpa, R. L

    2008-02-01T23:59:59.000Z

    The use of hydrogen in the energy sector of the United States is projected to increase significantly in the future. Current uses are predominantly in the petroleum refining sector, with hydrogen also being used in the manufacture of chemicals and other specialized products. Growth in hydrogen consumption is likely to appear in the refining sector, where greater quantities of hydrogen will be required as the quality of the raw crude decreases, and in the mining and processing of tar sands and other energy resources that are not currently used at a significant level. Furthermore, the use of hydrogen as a transportation fuel has been proposed both by automobile manufacturers and the federal government. Assuming that the use of hydrogen will significantly increase in the future, there would be a corresponding need to transport this material. A variety of production technologies are available for making hydrogen, and there are equally varied raw materials. Potential raw materials include natural gas, coal, nuclear fuel, and renewables such as solar, wind, or wave energy. As these raw materials are not uniformly distributed throughout the United States, it would be necessary to transport either the raw materials or the hydrogen long distances to the appropriate markets. While hydrogen may be transported in a number of possible forms, pipelines currently appear to be the most economical means of moving it in large quantities over great distances. One means of controlling hydrogen pipeline costs is to use common rights-of-way (ROWs) whenever feasible. For that reason, information on hydrogen pipelines is the focus of this document. Many of the features of hydrogen pipelines are similar to those of natural gas pipelines. Furthermore, as hydrogen pipeline networks expand, many of the same construction and operating features of natural gas networks would be replicated. As a result, the description of hydrogen pipelines will be very similar to that of natural gas pipelines. The following discussion will focus on the similarities and differences between the two pipeline networks. Hydrogen production is currently concentrated in refining centers along the Gulf Coast and in the Farm Belt. These locations have ready access to natural gas, which is used in the steam methane reduction process to make bulk hydrogen in this country. Production centers could possibly change to lie along coastlines, rivers, lakes, or rail lines, should nuclear power or coal become a significant energy source for hydrogen production processes. Should electrolysis become a dominant process for hydrogen production, water availability would be an additional factor in the location of production facilities. Once produced, hydrogen must be transported to markets. A key obstacle to making hydrogen fuel widely available is the scale of expansion needed to serve additional markets. Developing a hydrogen transmission and distribution infrastructure would be one of the challenges to be faced if the United States is to move toward a hydrogen economy. Initial uses of hydrogen are likely to involve a variety of transmission and distribution methods. Smaller users would probably use truck transport, with the hydrogen being in either the liquid or gaseous form. Larger users, however, would likely consider using pipelines. This option would require specially constructed pipelines and the associated infrastructure. Pipeline transmission of hydrogen dates back to late 1930s. These pipelines have generally operated at less than 1,000 pounds per square inch (psi), with a good safety record. Estimates of the existing hydrogen transmission system in the United States range from about 450 to 800 miles. Estimates for Europe range from about 700 to 1,100 miles (Mohipour et al. 2004; Amos 1998). These seemingly large ranges result from using differing criteria in determining pipeline distances. For example, some analysts consider only pipelines above a certain diameter as transmission lines. Others count only those pipelines that transport hydrogen from a producer to a customer (e.g., t

  1. Femtosecond Infrared Studies of Silane Silicon-Hydrogen Bond Activation

    E-Print Network [OSTI]

    Harris, Charles B.

    ) Lian, T.; Bromberg, S. E.; Yang, H.; Proulx, G.; Bergman, R. G.; Harris, C. B. J. Am. Chem. Soc. 1996. Asplund, and C. B. Harris* Department of Chemistry, UniVersity of California Berkeley, California 94720 (D, Figure * Author to whom correspondence should be addressed. (1) Palmer, B. J.; Hill, R. S. Can. J

  2. Low Barrier Hydrogen Bonds in Acyclic Tertiary Diamines

    E-Print Network [OSTI]

    Khodagholian, Sevana

    2010-01-01T23:59:59.000Z

    B: synthesis of diamide with phosphorous pentoxide, and C:synthesis uses phosphorous pentoxide and dimethylformamide (B: synthesis of diamide with phosphorous pentoxide, and C:

  3. Molecular dynamics of gas phase hydrogen-bonded complexes

    E-Print Network [OSTI]

    Wofford, Billy Alan

    2012-06-07T23:59:59.000Z

    ---HF are compared with previously determined values using microwave absolute intensity measurements and ab-initio molecular orbital calculations. Current work D /kJ mole -1 20. 77(22) De/kJ mole 28. 77(45) Rovibrational band information available for HCN... ? -RF 2 ?1 4 5 6 7 1 -116. 9(1) 8. 025(7) 4. 216&5) -51. 26&1) -14. 61(22) -D. lgl(1) -18. 98(2) -0. 408&2& -10. 45(38) -3. 61(22) -0. 61(2& -2. 01(1) 2. 61(5) -21. 61&18& 1. 00(5) Ixlgl, I lgl, I 15I, lxggl assam IX341, IX361 assumed 63 cm ' Ix...

  4. A Surprising Path for Proton Transfer Without Hydrogen Bonds

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    So called " stacking" is important in the configuration of DNA and RNA, in protein folding, and in other chemical structures as well, and stacking was what interested...

  5. A Surprising Path for Proton Transfer Without Hydrogen Bonds

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsrucLasDelivered‰PNGExperience hands-onASTROPHYSICSHeResearch StochasticA Surprising Path

  6. A Surprising Path for Proton Transfer Without Hydrogen Bonds

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsrucLasDelivered‰PNGExperience hands-onASTROPHYSICSHeResearch StochasticA Surprising PathA

  7. A Surprising Path for Proton Transfer Without Hydrogen Bonds

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsrucLasDelivered‰PNGExperience hands-onASTROPHYSICSHeResearch StochasticA Surprising PathAA

  8. A Surprising Path for Proton Transfer Without Hydrogen Bonds

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsrucLasDelivered‰PNGExperience hands-onASTROPHYSICSHeResearch StochasticA Surprising PathAAA

  9. Intramolecular hydrogen bonding as a synthetic tool to induce chemical

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsruc DocumentationP-SeriesFlickrinformation for and Application deadline:

  10. Hydrogen Adsorption Induces Interlayer Carbon Bond Formation in Supported

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation ProposedUsingFun withconfinement plasmasSandy-Nor'easterStatisticalwithRhodiumFew-Layer

  11. Hydrogen-Bond Acidic Polymers for Chemical Vapor Sensing. | EMSL

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation ProposedUsingFun withconfinementEtching. | EMSL Bubbles andof theCoal to

  12. Hydrogen-bond acidic functionalized carbon nanotubes (CNTs) with

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation ProposedUsingFun withconfinementEtching. | EMSL Bubbles andof theCoal toAn

  13. A Surprising Path for Proton Transfer Without Hydrogen Bonds

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May Jun Jul(Summary)morphinanInformation Desert SouthwestTechnologies |November 2011A FirstEMSL ShellA StandardA Surprising Path

  14. Three Hydrogen Bond Donor Catalysts: Oxyanion Hole Mimics and Transition

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmosphericNuclear SecurityTensile Strain Switched Ferromagnetism in Layered NbS2 andThe1A: Handling of4,3,ScienceThomasGridState

  15. Optical and electrochemical properties of hydrogen-bonded

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsrucLas Conchas recoveryLaboratorySpeeding access1phenol-pyrrolidino[60]fullerenes Optical and

  16. PredictingtheRelativeStabilitiesof MultiparticleHydrogen-Bonded

    E-Print Network [OSTI]

    Prentiss, Mara

    ,50,707-716. (6) Valdes,C.; Spitz,U. P.;Toledo,L. M.; Kubik,S.w.;Rebek, J.I. J. Am. Chem.Soc 1995,117,12733-45. (7TitrationsUsingDimethylSulfoxide MathaiMammen,EricE.Simanek,andGeorgeM.Whitesides ContributionfromtheDepartmentofChemistryand ChemicalStabilitieswith TitrationsUsingDimethylSulfoxide Mathai Mammen, Eric E. Simanek,and GeorgeM. Whitesides* Contribution from

  17. The Hype About Hydrogen

    E-Print Network [OSTI]

    Mirza, Umar Karim

    2006-01-01T23:59:59.000Z

    another promising solution for hydrogen storage. However,storage and delivery, and there are safety issues as well with hydrogen

  18. Hydrogen Technology Validation

    Fuel Cell Technologies Publication and Product Library (EERE)

    This fact sheet provides a basic introduction to the DOE Hydrogen National Hydrogen Learning Demonstration for non-technical audiences.

  19. Hydrogen Analysis Group

    SciTech Connect (OSTI)

    Not Available

    2008-03-01T23:59:59.000Z

    NREL factsheet that describes the general activites of the Hydrogen Analysis Group within NREL's Hydrogen Technologies and Systems Center.

  20. Hydrogenation enabled scrolling of graphene This article has been downloaded from IOPscience. Please scroll down to see the full text article.

    E-Print Network [OSTI]

    Li, Teng

    Hydrogenation enabled scrolling of graphene This article has been downloaded from IOPscience.1088/0022-3727/46/7/075301 Hydrogenation enabled scrolling of graphene Shuze Zhu and Teng Li Department of Mechanical Engineering.iop.org/JPhysD/46/075301 Abstract Hydrogenation of graphene leads to local bond distortion of each hydrogenated

  1. Trending: Metal Oxo Bonds

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsrucLas ConchasPassiveSubmittedStatusButlerTransportation From modelingTrending: Metal Oxo Bonds

  2. Bridged transition-metal complexes and uses thereof for hydrogen separation, storage and hydrogenation

    DOE Patents [OSTI]

    Lilga, Michael A. (Richland, WA); Hallen, Richard T. (Richland, WA)

    1991-01-01T23:59:59.000Z

    The present invention constitutes a class of organometallic complexes which reversibly react with hydrogen to form dihydrides and processes by which these compounds can be utilized. The class includes bimetallic complexes in which two cyclopentadienyl rings are bridged together and also separately .pi.-bonded to two transition metal atoms. The transition metals are believed to bond with the hydrogen in forming the dihydride. Transition metals such as Fe, Mn or Co may be employed in the complexes although Cr constitutes the preferred metal. A multiple number of ancilliary ligands such as CO are bonded to the metal atoms in the complexes. Alkyl groups and the like may be substituted on the cyclopentadienyl rings. These organometallic compounds may be used in absorption/desorption systems and in facilitated transport membrane systems for storing and separating out H.sub.2 from mixed gas streams such as the product gas from coal gasification processes.

  3. Bridged transition-metal complexes and uses thereof for hydrogen separation, storage and hydrogenation

    DOE Patents [OSTI]

    Lilga, Michael A. (Richland, WA); Hallen, Richard T. (Richland, WA)

    1990-01-01T23:59:59.000Z

    The present invention constitutes a class of organometallic complexes which reversibly react with hydrogen to form dihydrides and processes by which these compounds can be utilized. The class includes bimetallic complexes in which two cyclopentadienyl rings are bridged together and also separately .pi.-bonded to two transition metal atoms. The transition metals are believed to bond with the hydrogen in forming the dihydride. Transition metals such as Fe, Mn or Co may be employed in the complexes although Cr constitutes the preferred metal. A multiple number of ancilliary ligands such as CO are bonded to the metal atoms in the complexes. Alkyl groups and the like may be substituted on the cyclopentadienyl rings. These organometallic compounds may be used in absorption/desorption systems and in facilitated transport membrane systems for storing and separating out H.sub.2 from mixed gas streams such as the produce gas from coal gasification processes.

  4. Bridged transition-metal complexes and uses thereof for hydrogen separation, storage and hydrogenation

    DOE Patents [OSTI]

    Lilga, M.A.; Hallen, R.T.

    1990-08-28T23:59:59.000Z

    The present invention constitutes a class of organometallic complexes which reversibly react with hydrogen to form dihydrides and processes by which these compounds can be utilized. The class includes bimetallic complexes in which two cyclopentadienyl rings are bridged together and also separately [pi]-bonded to two transition metal atoms. The transition metals are believed to bond with the hydrogen in forming the dihydride. Transition metals such as Fe, Mn or Co may be employed in the complexes although Cr constitutes the preferred metal. A multiple number of ancillary ligands such as CO are bonded to the metal atoms in the complexes. Alkyl groups and the like may be substituted on the cyclopentadienyl rings. These organometallic compounds may be used in absorption/desorption systems and in facilitated transport membrane systems for storing and separating out H[sub 2] from mixed gas streams such as the producer gas from coal gasification processes. 3 figs.

  5. Bridged transition-metal complexes and uses thereof for hydrogen separation, storage and hydrogenation

    DOE Patents [OSTI]

    Lilga, M.A.; Hallen, R.T.

    1991-10-15T23:59:59.000Z

    The present invention constitutes a class of organometallic complexes which reversibly react with hydrogen to form dihydrides and processes by which these compounds can be utilized. The class includes bimetallic complexes in which two cyclopentadienyl rings are bridged together and also separately [pi]-bonded to two transition metal atoms. The transition metals are believed to bond with the hydrogen in forming the dihydride. Transition metals such as Fe, Mn or Co may be employed in the complexes although Cr constitutes the preferred metal. A multiple number of ancillary ligands such as CO are bonded to the metal atoms in the complexes. Alkyl groups and the like may be substituted on the cyclopentadienyl rings. These organometallic compounds may be used in absorption/desorption systems and in facilitated transport membrane systems for storing and separating out H[sub 2] from mixed gas streams such as the product gas from coal gasification processes. 3 figures.

  6. Mourning 2.0: Continuing Bonds between the Living and the Dead on Facebook

    E-Print Network [OSTI]

    Irwin, Melissa D.

    2012-05-31T23:59:59.000Z

    This study examines the burgeoning phenomenon of Facebook memorial pages and how this research about dynamic, online social networking environments can contribute to the existing literature related to Klass et al's (1996) continuing bonds thesis...

  7. Advanced Hydrogen Turbine Development

    SciTech Connect (OSTI)

    Joesph Fadok

    2008-01-01T23:59:59.000Z

    Siemens has developed a roadmap to achieve the DOE goals for efficiency, cost reduction, and emissions through innovative approaches and novel technologies which build upon worldwide IGCC operational experience, platform technology, and extensive experience in G-class operating conditions. In Phase 1, the technologies and concepts necessary to achieve the program goals were identified for the gas turbine components and supporting technology areas and testing plans were developed to mitigate identified risks. Multiple studies were conducted to evaluate the impact in plant performance of different gas turbine and plant technologies. 2015 gas turbine technologies showed a significant improvement in IGCC plant efficiency, however, a severe performance penalty was calculated for high carbon capture cases. Thermodynamic calculations showed that the DOE 2010 and 2015 efficiency targets can be met with a two step approach. A risk management process was instituted in Phase 1 to identify risk and develop mitigation plans. For the risks identified, testing and development programs are in place and the risks will be revisited periodically to determine if changes to the plan are necessary. A compressor performance prediction has shown that the design of the compressor for the engine can be achieved with additional stages added to the rear of the compressor. Tip clearance effects were studied as well as a range of flow and pressure ratios to evaluate the impacts to both performance and stability. Considerable data was obtained on the four candidate combustion systems: diffusion, catalytic, premix, and distributed combustion. Based on the results of Phase 1, the premixed combustion system and the distributed combustion system were chosen as having the most potential and will be the focus of Phase 2 of the program. Significant progress was also made in obtaining combustion kinetics data for high hydrogen fuels. The Phase 1 turbine studies indicate initial feasibility of the advanced hydrogen turbine that meets the aggressive targets set forth for the advanced hydrogen turbine, including increased rotor inlet temperature (RIT), lower total cooling and leakage air (TCLA) flow, higher pressure ratio, and higher mass flow through the turbine compared to the baseline. Maintaining efficiency with high mass flow Syngas combustion is achieved using a large high AN2 blade 4, which has been identified as a significant advancement beyond the current state-of-the-art. Preliminary results showed feasibility of a rotor system capable of increased power output and operating conditions above the baseline. In addition, several concepts were developed for casing components to address higher operating conditions. Rare earth modified bond coat for the purpose of reducing oxidation and TBC spallation demonstrated an increase in TBC spallation life of almost 40%. The results from Phase 1 identified two TBC compositions which satisfy the thermal conductivity requirements and have demonstrated phase stability up to temperatures of 1850 C. The potential to join alloys using a bonding process has been demonstrated and initial HVOF spray deposition trials were promising. The qualitative ranking of alloys and coatings in environmental conditions was also performed using isothermal tests where significant variations in alloy degradation were observed as a function of gas composition. Initial basic system configuration schematics and working system descriptions have been produced to define key boundary data and support estimation of costs. Review of existing materials in use for hydrogen transportation show benefits or tradeoffs for materials that could be used in this type of applications. Hydrogen safety will become a larger risk than when using natural gas fuel as the work done to date in other areas has shown direct implications for this type of use. Studies were conducted which showed reduced CO{sub 2} and NOx emissions with increased plant efficiency. An approach to maximize plant output is needed in order to address the DOE turbine goal for 20-30% reduction o

  8. C-O Bond Activation and C-C Bond Formation Paths in Catalytic CO Hydrogenation

    E-Print Network [OSTI]

    Loveless, Brett

    2012-01-01T23:59:59.000Z

    previously in flowing dry air (Praxair, extra-dry, 30 cm 3 (heated in flowing dry air (Praxair, extra-dry, 30 cm 3 (STP)flowing 10% H 2 /He mixture (Praxair, UHP, 50 cm 3 (STP) s -

  9. Optimized Pathways for Regional H2 Infrastructure Transitions: The Least-Cost Hydrogen for Southern California

    E-Print Network [OSTI]

    Lin, Zhenhong; Chen, Chien-Wei; Fan, Yueyue; Ogden, Joan M.

    2008-01-01T23:59:59.000Z

    Costs to Estimate Hydrogen Pipeline Costs. University ofPipeline network gradually expands and eventually takes over all hydrogenpipelines. These technologies compete with each other to meet an exogenously estimated hydrogen

  10. Solder extrusion pressure bonding process and bonded products produced thereby

    DOE Patents [OSTI]

    Beavis, L.C.; Karnowsky, M.M.; Yost, F.G.

    1992-06-16T23:59:59.000Z

    Disclosed is a process for production of soldered joints which are highly reliable and capable of surviving 10,000 thermal cycles between about [minus]40 C and 110 C. Process involves interposing a thin layer of a metal solder composition between the metal surfaces of members to be bonded and applying heat and up to about 1000 psi compression pressure to the superposed members, in the presence of a reducing atmosphere, to extrude the major amount of the solder composition, contaminants including fluxing gases and air, from between the members being bonded, to form a very thin, strong intermetallic bonding layer having a thermal expansion tolerant with that of the bonded members.

  11. Solder extrusion pressure bonding process and bonded products produced thereby

    DOE Patents [OSTI]

    Beavis, Leonard C. (Albuquerque, NM); Karnowsky, Maurice M. (Albuquerque, NM); Yost, Frederick G. (Ceder Crest, NM)

    1992-01-01T23:59:59.000Z

    Production of soldered joints which are highly reliable and capable of surviving 10,000 thermal cycles between about -40.degree. C. and 110.degree. C. Process involves interposing a thin layer of a metal solder composition between the metal surfaces of members to be bonded and applying heat and up to about 1000 psi compression pressure to the superposed members, in the presence of a reducing atmosphere, to extrude the major amount of the solder composition, contaminants including fluxing gases and air, from between the members being bonded, to form a very thin, strong intermetallic bonding layer having a thermal expansion tolerant with that of the bonded members.

  12. Vacuum fusion bonding of glass plates

    DOE Patents [OSTI]

    Swierkowski, Steve P. (Livermore, CA); Davidson, James C. (Livermore, CA); Balch, Joseph W. (Livermore, CA)

    2001-01-01T23:59:59.000Z

    An improved apparatus and method for vacuum fusion bonding of large, patterned glass plates. One or both glass plates are patterned with etched features such as microstructure capillaries and a vacuum pumpout moat, with one plate having at least one hole therethrough for communication with a vacuum pumpout fixture. High accuracy alignment of the plates is accomplished by a temporary clamping fixture until the start of the fusion bonding heat cycle. A complete, void-free fusion bond of seamless, full-strength quality is obtained through the plates; because the glass is heated well into its softening point and because of a large, distributed force that is developed that presses the two plates together from the difference in pressure between the furnace ambient (high pressure) and the channeling and microstructures in the plates (low pressure) due to the vacuum drawn. The apparatus and method may be used to fabricate microcapillary arrays for chemical electrophoresis; for example, any apparatus using a network of microfluidic channels embedded between plates of glass or similar moderate melting point substrates with a gradual softening point curve, or for assembly of glass-based substrates onto larger substrates, such as in flat panel display systems.

  13. Vacuum fusion bonding of glass plates

    DOE Patents [OSTI]

    Swierkowski, Steve P. (Livermore, CA); Davidson, James C. (Livermore, CA); Balch, Joseph W. (Livermore, CA)

    2000-01-01T23:59:59.000Z

    An improved apparatus and method for vacuum fusion bonding of large, patterned glass plates. One or both glass plates are patterned with etched features such as microstructure capillaries and a vacuum pumpout moat, with one plate having at least one hole therethrough for communication with a vacuum pumpout fixture. High accuracy alignment of the plates is accomplished by a temporary clamping fixture until the start of the fusion bonding heat cycle. A complete, void-free fusion bond of seamless, full-strength quality is obtained through the plates; because the glass is heated well into its softening point and because of a large, distributed force that is developed that presses the two plates together from the difference in pressure between the furnace ambient (high pressure) and the channeling and microstructures in the plates (low pressure) due to the vacuum drawn. The apparatus and method may be used to fabricate microcapillary arrays for chemical electrophoresis; for example, any apparatus using a network of microfluidic channels embedded between plates of glass or similar moderate melting point substrates with a gradual softening point curve, or for assembly of glass-based substrates onto larger substrates, such as in flat panel display systems.

  14. Trending: Metal Oxo Bonds

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmosphericNuclear SecurityTensile Strain Switched Ferromagnetism in Layered NbS2TopoPortal Hydrogen and Fuel Cell

  15. Trending: Metal Oxo Bonds

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmosphericNuclear SecurityTensile Strain Switched Ferromagnetism in Layered NbS2TopoPortal Hydrogen and Fuel CellTrending: Metal

  16. Trending: Metal Oxo Bonds

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmosphericNuclear SecurityTensile Strain Switched Ferromagnetism in Layered NbS2TopoPortal Hydrogen and Fuel CellTrending:

  17. Trending: Metal Oxo Bonds

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmosphericNuclear SecurityTensile Strain Switched Ferromagnetism in Layered NbS2TopoPortal Hydrogen and Fuel CellTrending:Trending:

  18. Trending: Metal Oxo Bonds

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmosphericNuclear SecurityTensile Strain Switched Ferromagnetism in Layered NbS2TopoPortal Hydrogen and Fuel

  19. Process for manufacture of thick film hydrogen sensors

    DOE Patents [OSTI]

    Perdieu, Louisa H. (Overland Park, KS)

    2000-09-09T23:59:59.000Z

    A thick film process for producing hydrogen sensors capable of sensing down to a one percent concentration of hydrogen in carrier gasses such as argon, nitrogen, and air. The sensor is also suitable to detect hydrogen gas while immersed in transformer oil. The sensor includes a palladium resistance network thick film printed on a substrate, a portion of which network is coated with a protective hydrogen barrier. The process utilizes a sequence of printing of the requisite materials on a non-conductive substrate with firing temperatures at each step which are less than or equal to the temperature at the previous step.

  20. DOE Hydrogen and Fuel Cells Program Record 11007: Hydrogen Threshold...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    and Fuel Cells Program Record 11007: Hydrogen Threshold Cost Calculation DOE Hydrogen and Fuel Cells Program Record 11007: Hydrogen Threshold Cost Calculation The hydrogen...

  1. Hydrogen permeability and Integrity of hydrogen transfer pipelines...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    permeability and Integrity of hydrogen transfer pipelines Hydrogen permeability and Integrity of hydrogen transfer pipelines Presentation by 03-Babu for the DOE Hydrogen Pipeline...

  2. NREL Wind to Hydrogen Project: Renewable Hydrogen Production...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Wind to Hydrogen Project: Renewable Hydrogen Production for Energy Storage & Transportation NREL Wind to Hydrogen Project: Renewable Hydrogen Production for Energy Storage &...

  3. Bulk Hydrogen Storage - Strategic Directions for Hydrogen Delivery...

    Broader source: Energy.gov (indexed) [DOE]

    Bulk Hydrogen Storage - Strategic Directions for Hydrogen Delivery Workshop Bulk Hydrogen Storage - Strategic Directions for Hydrogen Delivery Workshop Targets, barriers and...

  4. Qualified Energy Conservation Bonds (Ohio)

    Broader source: Energy.gov [DOE]

    The Ohio Air Quality Development Authority (OAQDA) administers the Qualified Energy Conservation Bonds (QECB) program in Ohio. QECBs have been used by local governments and public universities to...

  5. Infrared absorption of hydrogen-related defects in strontium titanate M. C. Tarun and M. D. McCluskeya)

    E-Print Network [OSTI]

    McCluskey, Matthew

    in perovskite oxides, an important issue in fuel cells.16 In as- grown SrTiO3, isolated hydrogen forms a bondInfrared absorption of hydrogen-related defects in strontium titanate M. C. Tarun and M. D. Mc 2011) Hydrogen has a significant impact on the structural and electronic properties of metals

  6. Investigation of bonding strength and sealing behavior of aluminum/stainless steel bonded at room temperature

    E-Print Network [OSTI]

    Howlader, Matiar R

    ], spark welding [3], explosive bonding [4], and diffusion bonding [5,6]. However, the processing such as diffusion bonding [5,6], friction welding [7e11], vacuum roll bonding [12] and hot roll bonding [13Investigation of bonding strength and sealing behavior of aluminum/stainless steel bonded at room

  7. Hydrogen Storage in Carbon Nanotubes Through Formation of C-H...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Hydrogen Storage in Carbon Nanotubes Through Formation of C-H Bonds Print Two of the major challenges for humanity in the next 20 years are the shrinking availability of fossil...

  8. HYDROGEN REGIONAL INFRASTRUCTURE PROGRAM

    E-Print Network [OSTI]

    to serve as "go-to" organization to catalyze PA Hydrogen and Fuel Cell Economy development #12;FundingHYDROGEN REGIONAL INFRASTRUCTURE PROGRAM IN PENNSYLVANIA HYDROGEN REGIONAL INFRASTRUCTURE PROGRAM IN PENNSYLVANIA Melissa Klingenberg, PhDMelissa Klingenberg, PhD #12;Hydrogen ProgramHydrogen Program Air Products

  9. Hydrogen Delivery Mark Paster

    E-Print Network [OSTI]

    Liquids (e.g. ethanol etc.) ­ Truck: HP Gas & Liquid Hydrogen ­ Regional Pipelines ­ Breakthrough Hydrogen;Delivery Key Challenges · Pipelines ­ Retro-fitting existing NG pipeline for hydrogen ­ Utilizing existing NG pipeline for Hythane with cost effective hydrogen separation technology ­ New hydrogen pipeline

  10. Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May Jun Jul(Summary)morphinanInformation Desert Southwest Regionat Cornell Batteries &NSTCurrent Issues &Network » Network

  11. Tuning by pruning: exploiting disorder for global response and the principle of bond-level independence

    E-Print Network [OSTI]

    Carl P. Goodrich; Andrea J. Liu; Sidney R. Nagel

    2015-02-13T23:59:59.000Z

    We exploit the intrinsic difference between disordered and crystalline solids to create systems with unusual and exquisitely tuned mechanical properties. To demonstrate the power of this approach, we design materials that are either virtually incompressible or completely auxetic. Disordered networks can be efficiently driven to these extreme limits by removing a very small fraction of bonds via a selected-bond removal procedure that is both simple and experimentally relevant. The procedure relies on the nearly complete absence of any correlation between the contributions of an individual bond to different elastic moduli. A new principle unique to disordered solids underlies this lack of correlation: independence of bond-level response.

  12. Hydrogen Fuel Cell Vehicles

    E-Print Network [OSTI]

    Delucchi, Mark

    1992-01-01T23:59:59.000Z

    Hydrogen Fuel Cell Vehicles UCD-ITS-RR-92-14 September bycost than both. Solar-hydrogen fuel- cell vehicles would becost than both. Solar-hydrogen fuel- cell vehicles would be

  13. Hydrogen Fuel Cell Vehicles

    E-Print Network [OSTI]

    Delucchi, Mark

    1992-01-01T23:59:59.000Z

    Hydrogen Fuel Cell Vehicles UCD-ITS-RR-92-14 September byet al. , 1988,1989 HYDROGEN FUEL-CELL VEHICLES: TECHNICALIn the FCEV, the hydrogen fuel cell could supply the "net"

  14. Hydrogen Fuel Cell Vehicles

    E-Print Network [OSTI]

    Delucchi, Mark

    1992-01-01T23:59:59.000Z

    for the hydrogen refueling station. Compressor cost: inputcost) Compressor power requirement: input data 288.80 Initial temperature of hydrogen (Compressor cost per unit of output ($/hp/million standard ft [SCF] of hydrogen/

  15. E-Print Network 3.0 - antiparasitic compounds based Sample Search...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    In Vitro Conor R... experiments, compound bioactivity was determined by a regression method based on the S-shaped con- centration... through hydrogen bonding to the phosphate...

  16. Hydrogen and Infrastructure Costs

    Broader source: Energy.gov (indexed) [DOE]

    FUEL CELL TECHNOLOGIES PROGRAM Hydrogen and Infrastructure Costs Hydrogen Infrastructure Market Readiness Workshop Washington D.C. February 17, 2011 Fred Joseck U.S. Department of...

  17. Hydrogen and fuel taxation.

    E-Print Network [OSTI]

    Hansen, Anders Chr.

    2007-01-01T23:59:59.000Z

    ??The competitiveness of hydrogen depends on how it is integrated in the energy tax system in Europe. This paper addresses the competitiveness of hydrogen and… (more)

  18. Hydrogen Permeation Barrier Coatings

    SciTech Connect (OSTI)

    Henager, Charles H.

    2008-01-01T23:59:59.000Z

    Gaseous hydrogen, H2, has many physical properties that allow it to move rapidly into and through materials, which causes problems in keeping hydrogen from materials that are sensitive to hydrogen-induced degradation. Hydrogen molecules are the smallest diatomic molecules, with a molecular radius of about 37 x 10-12 m and the hydrogen atom is smaller still. Since it is small and light it is easily transported within materials by diffusion processes. The process of hydrogen entering and transporting through a materials is generally known as permeation and this section reviews the development of hydrogen permeation barriers and barrier coatings for the upcoming hydrogen economy.

  19. Hydrogen Program Overview

    Fuel Cell Technologies Publication and Product Library (EERE)

    This 2-page fact sheet provides a brief introduction to the DOE Hydrogen Program. It describes the program mission and answers the question: “Why Hydrogen?”

  20. Hydrogen | Department of Energy

    Broader source: Energy.gov (indexed) [DOE]

    Sources Hydrogen Hydrogen September 30, 2014 Developed by Sandia National Laboratories and several industry partners, the fuel cell mobile light (H2LT) offers a cleaner, quieter...

  1. Hydrogen | Department of Energy

    Broader source: Energy.gov (indexed) [DOE]

    with a catalyst of molybdenum sulfide and exposed to sunlight, these pillars generate hydrogen gas from the hydrogen ions liberated by splitting water. Each pillar is approximately...

  2. CAN HYDROGEN WIN?: EXPLORING SCENARIOS FOR HYDROGEN

    E-Print Network [OSTI]

    such as biofuel plug-in hybrids, but did well when biofuels were removed or priced excessively. Hydrogen fuel cells failed unless costs were assumed to descend independent of demand. However, hydrogen vehicles were; Hydrogen as fuel -- Economic aspects; Technological innovations -- Environmental aspects; Climatic changes

  3. Electrochemical Hydrogen Compressor

    SciTech Connect (OSTI)

    David P. Bloomfield; Brian S. MacKenzie

    2006-05-01T23:59:59.000Z

    The Electrochemical Hydrogen Compressor EHC was evaluated against DOE applications for compressing hydrogen at automobile filling stations, in future hydrogen pipelines and as a commercial replacement for conventional diaphragm hydrogen compressors. It was also evaluated as a modular replacement for the compressors used in petrochemical refineries. If the EHC can be made inexpensive, reliable and long lived then it can satisfy all these applications save pipelines where the requirements for platinum catalyst exceeds the annual world production. The research performed did not completely investigate Molybdenum as a hydrogen anode or cathode, it did show that photoetched 316 stainless steel is inadequate for an EHC. It also showed that: molybdenum bipolar plates, photochemical etching processes, and Gortex Teflon seals are too costly for a commercial EHC. The use of carbon paper in combination with a perforated thin metal electrode demonstrated adequate anode support strength, but is suspect in promoting galvanic corrosion. The nature of the corrosion mechanisms are not well understood, but locally high potentials within the unit cell package are probably involved. The program produced a design with an extraordinary high cell pitch, and a very low part count. This is one of the promising aspects of the redesigned EHC. The development and successful demonstration of the hydraulic cathode is also important. The problem of corrosion resistant metal bipolar plates is vital to the development of an inexpensive, commercial PEM fuel cell. Our research suggests that there is more to the corrosion process in fuel cells and electrochemical compressors than simple, steady state, galvanic stability. It is an important area for scientific investigation. The experiments and analysis conducted lead to several recommended future research directions. First, we need a better understanding of the corrosion mechanisms involved. The diagnosis of experimental cells with titration to determine the loss of membrane active sites is recommended. We suspect that the corrosion includes more than simple galvanic mechanisms. The mechanisms involved in this phenomenon are poorly understood. Shunt currents at hydraulic cathode ports were problematic, but are not difficult to cure. In addition to corrosion there is evidence of high component resistivity. This may be due to the deposition of organic compounds, which may be produced electrochemically on the surface of the metal support screens that contact carbon gas diffusion layers (GDLs) or catalyst supports. An investigation of possible electro-organic sythesis mechanisms with emphasis on oxalates formation is warranted. The contaminated cell parts can be placed in an oxidizing atmosphere at high temperature and the weight loss can be observed. This would reveal the existence of organic compounds. Investigation into the effects of conductivity enhancers such as carbon microlayers on supporting carbon paper is also needed. Corrosion solutions should be investigated such as surface passivation of 316 SS parts using nitric acid. Ultra thin silane/siloxane polymer coatings should be tried. These may be especially useful in conjunction with metal felt replacement of carbon paper. A simple cure for the very high, localized corrosion of the anode might be to diffusion bond the metal electrode support screen to bipolar plate. This will insure uniform resistance perpendicular to the plane of the cell and eliminate some of the dependence of the resistance on high stack compression. Alternative materials should be explored. Alternatives to carbon in the cell may be helpful in any context. In particular, alternatives to carbon paper GDLs such as metal felts and alternatives to carbon supports for Pt such as TiC and TiB2 might also be worthwhile and would be helpful to fuel cells as well. Some alternative to the metals we used in the cell, Mo and 316 SS, are potentially useful. These include Al/Mg/Si alloys. Corrosion resistant materials such as Nb and Mo might prove useful as cladding materials that can be hot stamp

  4. Final Report: Metal Perhydrides for Hydrogen Storage

    SciTech Connect (OSTI)

    Hwang, J-Y.; Shi, S.; Hackney, S.; Swenson, D.; Hu, Y.

    2011-07-26T23:59:59.000Z

    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 LiH molecule contains one hydrogen atom because the valence of a Li ion is +1. One MgH2 molecule contains two hydrogen atoms because the valence of a Mg ion is +2. In metal perhydrides, a molecule could contain more hydrogen atoms than expected based on the metal valance, i.e. LiH1+n and MgH2+n (n is equal to or greater than 1). When n is sufficiently high, there will be plenty of hydrogen storage capacity to meet future requirements. The existence of hydrogen clusters, Hn+ (n = 5, 7, 9, 11, 13, 15) and transition metal ion-hydrogen clusters, M+(H2)n (n = 1-6), such as Sc(H2)n+, Co(H2)n+, etc., have assisted the development of this concept. Clusters are not stable species. However, their existence stimulates our approach on using electric charges to enhance the hydrogen adsorption in a hydrogen storage system in this study. The experimental and modeling work to verify it are reported here. Experimental work included the generation of cold hydrogen plasma through a microwave approach, synthesis of sorbent materials, design and construction of lab devices, and the determination of hydrogen adsorption capacities on various sorbent materials under various electric field potentials and various temperatures. The results consistently show that electric potential enhances the adsorption of hydrogen on sorbents. NiO, MgO, activated carbon, MOF, and MOF and platinum coated activated carbon are some of the materials studied. Enhancements up to a few hundred percents have been found. In general, the enhancement increases with the electrical potential, the pressure applied, and the temperature lowered. Theoretical modeling of the hydrogen adsorption on the sorbents under the electric potential has been investigated with the density functional theory (DFT) approach. It was found that the interaction energy between hydrogen and sorbent is increased remarkably when an electric field is applied. This increase of binding energy offers a potential solution for DOE when looking for a compromise between chemisorption and physisorption for hydrogen storage. Bonding of chemisorption is too

  5. Method for vacuum fusion bonding

    DOE Patents [OSTI]

    Ackler, Harold D. (Sunnyvale, CA); Swierkowski, Stefan P. (Livermore, CA); Tarte, Lisa A. (Livermore, CA); Hicks, Randall K. (Stockton, CA)

    2001-01-01T23:59:59.000Z

    An improved vacuum fusion bonding structure and process for aligned bonding of large area glass plates, patterned with microchannels and access holes and slots, for elevated glass fusion temperatures. Vacuum pumpout of all components is through the bottom platform which yields an untouched, defect free top surface which greatly improves optical access through this smooth surface. Also, a completely non-adherent interlayer, such as graphite, with alignment and location features is located between the main steel platform and the glass plate pair, which makes large improvements in quality, yield, and ease of use, and enables aligned bonding of very large glass structures.

  6. Fusion bonding and alignment fixture

    DOE Patents [OSTI]

    Ackler, Harold D. (Sunnyvale, CA); Swierkowski, Stefan P. (Livermore, CA); Tarte, Lisa A. (Livermore, CA); Hicks, Randall K. (Stockton, CA)

    2000-01-01T23:59:59.000Z

    An improved vacuum fusion bonding structure and process for aligned bonding of large area glass plates, patterned with microchannels and access holes and slots, for elevated glass fusion temperatures. Vacuum pumpout of all the components is through the bottom platform which yields an untouched, defect free top surface which greatly improves optical access through this smooth surface. Also, a completely non-adherent interlayer, such as graphite, with alignment and location features is located between the main steel platform and the glass plate pair, which makes large improvements in quality, yield, and ease of use, and enables aligned bonding of very large glass structures.

  7. Method of bonding

    DOE Patents [OSTI]

    Saller, deceased, Henry A. (late of Columbus, OH); Hodge, Edwin S. (Columbus, OH); Paprocki, Stanley J. (Columbus, OH); Dayton, Russell W. (Columbus, OH)

    1987-12-01T23:59:59.000Z

    1. A method of making a fuel-containing structure for nuclear reactors, comprising providing an assembly comprising a plurality of fuel units; each fuel unit consisting of a core plate containing thermal-neutron-fissionable material, sheets of cladding metal on its bottom and top surfaces, said cladding sheets being of greater width and length than said core plates whereby recesses are formed at the ends and sides of said core plate, and end pieces and first side pieces of cladding metal of the same thickness as the core plate positioned in said recesses, the assembly further comprising a plurality of second side pieces of cladding metal engaging the cladding sheets so as to space the fuel units from one another, and a plurality of filler plates of an acid-dissolvable nonresilient material whose melting point is above 2000.degree. F., each filler plate being arranged between a pair of said second side pieces and the cladding plates of two adjacent fuel units, the filler plates having the same thickness as the second side pieces; the method further comprising enclosing the entire assembly in an envelope; evacuating the interior of the entire assembly through said envelope; applying inert gas under a pressure of about 10,000 psi to the outside of said envelope while at the same time heating the assembly to a temperature above the flow point of the cladding metal but below the melting point of any material of the assembly, whereby the envelope is pressed against the assembly and integral bonds are formed between plates, sheets, first side pieces, and end pieces and between the sheets and the second side pieces; slowly cooling the assembly to room temperature; removing the envelope; and dissolving the filler plates without attacking the cladding metal.

  8. Hydrogen Energy Technology Geoff Dutton

    E-Print Network [OSTI]

    Watson, Andrew

    Integrated gasification combined cycle (IGCC) Pyrolysis Water electrolysis Reversible fuel cell Hydrogen Hydrogen-fuelled internal combustion engines Hydrogen-fuelled turbines Fuel cells Hydrogen systems Overall expensive. Intermediate paths, employing hydrogen derived from fossil fuel sources, are already used

  9. New Clean Renewable Energy Bonds | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    New Clean Renewable Energy Bonds New Clean Renewable Energy Bonds New clean renewable energy bonds (CREBs) are tax credit bonds, the proceeds of which are used for capital...

  10. Qualified Energy Conservation Bonds (QECBs) & New Clean Renewable...

    Energy Savers [EERE]

    Qualified Energy Conservation Bonds (QECBs) & New Clean Renewable Energy Bonds (New CREBs) Qualified Energy Conservation Bonds (QECBs) & New Clean Renewable Energy Bonds (New...

  11. AC03CH05-Levinger ARI 11 February 2010 22:19 Analysis of Water in Confined

    E-Print Network [OSTI]

    Fayer, Michael D.

    of hydrogen fuel cells. Water's unique properties can be traced to its formation of an extended hydrogen micelles, nanoscopically confined water, hydrogen bond dynamics, orientational dynamics Abstract The properties of water depend on its extended hydrogen bond network and thecontinualpicosecond

  12. Low Temperature Material Bonding Techniq Ue

    DOE Patents [OSTI]

    Ramsey, J. Michael (Knoxville, TN); Foote, Robert S. (Oak Ridge, TN)

    2002-08-06T23:59:59.000Z

    A method of performing a lower temperature bonding technique to bond together two mating pieces of glass includes applying a sodium silicate aqueous solution between the two pieces.

  13. Overview of Two Hydrogen Energy Storage Studies: Wind Hydrogen in California and Blending in Natural Gas Pipelines (Presentation)

    SciTech Connect (OSTI)

    Melaina, M. W.

    2013-05-01T23:59:59.000Z

    This presentation provides an overview of two NREL energy storage studies: Wind Hydrogen in California: Case Study and Blending Hydrogen Into Natural Gas Pipeline Networks: A Review of Key Issues. The presentation summarizes key issues, major model input assumptions, and results.

  14. Safetygram #9- Liquid Hydrogen

    Broader source: Energy.gov [DOE]

    Hydrogen is colorless as a liquid. Its vapors are colorless, odorless, tasteless, and highly flammable.

  15. Hydrogen Delivery Liquefaction & Compression

    E-Print Network [OSTI]

    Hydrogen Delivery Liquefaction & Compression Raymond Drnevich Praxair - Tonawanda, NY Strategic Initiatives for Hydrogen Delivery Workshop - May 7, 2003 #12;2 Agenda Introduction to Praxair Hydrogen Liquefaction Hydrogen Compression #12;3 Praxair at a Glance The largest industrial gas company in North

  16. NATIONAL HYDROGEN ENERGY ROADMAP

    E-Print Network [OSTI]

    NATIONAL HYDROGEN ENERGY ROADMAP NATIONAL HYDROGEN ENERGY ROADMAP . . Toward a More Secure and Cleaner Energy Future for America Based on the results of the National Hydrogen Energy Roadmap Workshop to make it a reality. This Roadmap provides a framework that can make a hydrogen economy a reality

  17. Pooled Bond Program (South Dakota)

    Broader source: Energy.gov [DOE]

    The Pooled Bond Program offered by the Economic Development Finance Authority is designed for capital intensive projects, providing small businesses access to larger capital markets for tax-exempt...

  18. Gaseous Hydrogen Delivery Breakout - Strategic Directions for...

    Broader source: Energy.gov (indexed) [DOE]

    Gaseous Hydrogen Delivery Breakout - Strategic Directions for Hydrogen Delivery Workshop Gaseous Hydrogen Delivery Breakout - Strategic Directions for Hydrogen Delivery Workshop...

  19. Composition for absorbing hydrogen

    DOE Patents [OSTI]

    Heung, L.K.; Wicks, G.G.; Enz, G.L.

    1995-05-02T23:59:59.000Z

    A hydrogen absorbing composition is described. The composition comprises a porous glass matrix, made by a sol-gel process, having a hydrogen-absorbing material dispersed throughout the matrix. A sol, made from tetraethyl orthosilicate, is mixed with a hydrogen-absorbing material and solidified to form a porous glass matrix with the hydrogen-absorbing material dispersed uniformly throughout the matrix. The glass matrix has pores large enough to allow gases having hydrogen to pass through the matrix, yet small enough to hold the particles dispersed within the matrix so that the hydrogen-absorbing particles are not released during repeated hydrogen absorption/desorption cycles.

  20. Supporting Information For: Nitrile Bonds as Infrared Probes of Electrostatics in Ribonuclease S

    E-Print Network [OSTI]

    Boxer, Steven G.

    of benzonitrile (BenzCN) and methyl thiocyanate (MeSCN) were compared with those of acetonitrile in a rangeSCN) and benzonitrile (BenzCN) relative to the gas phase, plotted against the same for acetonitrile (acetonitrile data of the strong hydrogen bond donors, water or formamide5 , MeSCN, benzonitrile and acetonitrile exhibit similar

  1. Industrial clusters and regional innovation based on hydrogen and fuel cell technologies

    E-Print Network [OSTI]

    Industrial clusters and regional innovation based on hydrogen and fuel cell technologies-Westphalia (Germany): Fuel Cell and Hydrogen Network in North Rhine-Westphalia Regional authorities develops fully or regions in Europe with a potential to develop clusters based on hydrogen and fuel cell technologies? 3

  2. Performance of Sulfur Tolerant Reforming Catalysts for Production of Hydrogen from Jet Fuel Simulants

    E-Print Network [OSTI]

    Azad, Abdul-Majeed

    ,2 operated by fuel cells. Unfortunately, the lack of infrastructure, such as a network of hydrogen refueling of hydrogen sulfide (H2S), which poisons the anode in the fuel cell stack, leading to low SOFC efficiencyPerformance of Sulfur Tolerant Reforming Catalysts for Production of Hydrogen from Jet Fuel

  3. Materials for the scavanging of hydrogen at high temperatures

    DOE Patents [OSTI]

    Shepodd, Timothy J. (Livermore, CA); Phillip, Bradley L. (Shaker Heights, OH)

    1997-01-01T23:59:59.000Z

    A hydrogen getter composition comprising a double or triple bonded hydrocarbon with a high melting point useful for removing hydrogen gas, to partial pressures below 0.01 torr, from enclosed spaces and particularly from vessels used for transporting or containing fluids at elevated temperatures. The hydrogen getter compositions disclosed herein and their reaction products will neither melt nor char at temperatures in excess of 100.degree. C. They possess significant advantages over conventional hydrogen getters, namely low risk of fire or explosion, no requirement for high temperature activation or operation, the ability to absorb hydrogen even in the presence of contaminants such as water, water vapor, common atmospheric gases and oil mists and are designed to be disposed within the confines of the apparatus. These getter materials can be mixed with binders, such as fluropolymers, which permit the getter material to be fabricated into useful shapes and/or impart desirable properties such as water repellency or impermeability to various gases.

  4. Materials for the scavanging of hydrogen at high temperatures

    DOE Patents [OSTI]

    Shepodd, Timothy J. (330 Thrasher Ave., Livermore, Alameda County, CA 94550); Phillip, Bradley L. (20976 Fairmount Blvd., Shaker Heights, Cuyahoga County, OH 44120)

    1997-01-01T23:59:59.000Z

    A hydrogen getter composition comprising a double or triple bonded hydrocarbon with a high melting point useful for removing hydrogen gas, to partial pressures below 0.01 torr, from enclosed spaces and particularly from vessels used for transporting or containing fluids at elevated temperatures. The hydrogen getter compostions disclosed herein and their reaction products will neither melt nor char at temperatures in excess of 100C. They possess significant advantages over conventional hydrogen getters, namely low risk of fire or explosion, no requirement for high temperature activation or operation, the ability to absorb hydrogen even in the presence of contaminants such as water, water vapor, common atmospheric gases and oil mists and are designed to be disposed within the confines of the apparatus. These getter materials can be mixed with binders, such as fluropolymers, which permit the getter material to be fabricated into useful shapes and/or impart desirable properties such as water repellency or impermeability to various gases.

  5. Hydrogen-induced disintegration of fullerenes and nanotubes: An ab initio study Savas Berber1,2 and David Tomnek1

    E-Print Network [OSTI]

    Hydrogen-induced disintegration of fullerenes and nanotubes: An ab initio study Savas Berber1 hydrogen-induced disintegration of single-wall and multiwall carbon fullerenes and nanotubes. Our results indicate that hydrogen atoms preferentially chemisorb along lines in sp2 bonded carbon nanostructures

  6. Hydrogen Permeability and Integrity of Hydrogen Delivery Pipelines...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Permeability and Integrity of Hydrogen Delivery Pipelines Hydrogen Permeability and Integrity of Hydrogen Delivery Pipelines Project Objectives: To gain basic understanding of...

  7. DOE Hydrogen and Fuel Cells Program Record 5037: Hydrogen Storage...

    Broader source: Energy.gov (indexed) [DOE]

    5037: Hydrogen Storage Materials - 2004 vs. 2006 DOE Hydrogen and Fuel Cells Program Record 5037: Hydrogen Storage Materials - 2004 vs. 2006 This program record from the Department...

  8. Hydrogen Delivery Technologies and Systems- Pipeline Transmission of Hydrogen

    Broader source: Energy.gov [DOE]

    Hydrogen Delivery Technologies and Systems - Pipeline Transmission of Hydrogen. Design and operations standards and materials for hydrogen and natural gas pipelines.

  9. Hydrogen Supply: Cost Estimate for Hydrogen Pathways-Scoping...

    Broader source: Energy.gov (indexed) [DOE]

    Supply: Cost Estimate for Hydrogen Pathways-Scoping Analysis. January 22, 2002-July 22, 2002 Hydrogen Supply: Cost Estimate for Hydrogen Pathways-Scoping Analysis. January 22,...

  10. CONVERTIBLE BONDS IN A DEFAULTABLE DIFFUSION MODEL

    E-Print Network [OSTI]

    Jeanblanc, Monique

    CONVERTIBLE BONDS IN A DEFAULTABLE DIFFUSION MODEL Tomasz R. Bielecki Department of Applied Research Grant PS12918. #12;2 Convertible Bonds in a Defaultable Diffusion Model 1 Introduction In [4), such as Convertible Bonds (CB), and we provided a rigorous decomposition of a CB into a bond component and a (game

  11. Mechanism of methanol synthesis from carbon monoxide and hydrogen on copper catalysts

    SciTech Connect (OSTI)

    Fakley, M.E.; Jennings, J.R.; Spencer, M.S. (ICI Chemicals and Polymers Ltd, Billingham, Cleveland (England))

    1989-08-01T23:59:59.000Z

    The authors examine possible mechanisms of methanol synthesis from carbon monoxide and hydrogen on supported copper catalysts. Two broad categories of reaction mechanism can be identified: (a) Type I: Carbon monoxide, adsorbed on the copper surface, is hydrogenated by the addition of hydrogen atoms while the C-O bond remains intact. A second C-O bond is neither formed nor broken. (b) Type II: Carbon monoxide (or a partially hydrogenated intermediate, e.g., HCO) reacts with an oxygen atom on the catalyst surface to give an intermediate, typically a formate, which contains two C-O bonds. Subsequent reaction leads overall to methanol and the reformation of the surface oxygen atom. Both mechanisms are discussed.

  12. The Breathing Orbital Valence Bond Method in Diffusion Monte Carlo: C-H Bond Dissociation ofAcetylene

    SciTech Connect (OSTI)

    Domin, D.; Braida, Benoit; Lester Jr., William A.

    2008-05-30T23:59:59.000Z

    This study explores the use of breathing orbital valence bond (BOVB) trial wave functions for diffusion Monte Carlo (DMC). The approach is applied to the computation of the carbon-hydrogen (C-H) bond dissociation energy (BDE) of acetylene. DMC with BOVB trial wave functions yields a C-H BDE of 132.4 {+-} 0.9 kcal/mol, which is in excellent accord with the recommended experimental value of 132.8 {+-} 0.7 kcal/mol. These values are to be compared with DMC results obtained with single determinant trial wave functions, using Hartree-Fock orbitals (137.5 {+-} 0.5 kcal/mol) and local spin density (LDA) Kohn-Sham orbitals (135.6 {+-} 0.5 kcal/mol).

  13. HGMS: Glasses and Nanocomposites for Hydrogen Storage.

    SciTech Connect (OSTI)

    Lipinska, Kris [PI] [PI; Hemmers, Oliver

    2013-02-17T23:59:59.000Z

    The primary goal of this project is to fabricate and investigate different glass systems and glass-derived nanocrystalline composite materials. These glass-based, two-phased materials will contain nanocrystals that can attract hydrogen and be of potential interest as hydrogen storage media. The glass materials with intrinsic void spaces that are able to precipitate functional nanocrystals capable to attract hydrogen are of particular interest. Proposed previously, but never practically implemented, one of promising concepts for storing hydrogen are micro-containers built of glass and shaped into hollow microspheres. The project expanded this concept to the exploration of glass-derived nanocrystalline composites as potential hydrogen storage media. It is known that the most desirable materials for hydrogen storage do not interact chemically with hydrogen and possess a high surface area to host substantial amounts of hydrogen. Glasses are built of disordered networks with ample void spaces that make them permeable to hydrogen even at room temperature. Glass-derived nanocrystalline composites (two-phased materials), combination of glasses (networks with ample voids) and functional nanocrystals (capable to attract hydrogen), appear to be promising candidates for hydrogen storage media. Key advantages of glass materials include simplicity of preparation, flexibility of composition, chemical durability, non-toxicity and mechanical strength, as well as low production costs and environmental friendliness. This project encompasses a fundamental research into physics and chemistry of glasses and nanocrystalline composite materials, derived from glass. Studies are aimed to answer questions essential for considering glass-based materials and composites as potential hydrogen storage media. Of particular interest are two-phased materials that combine glasses with intrinsic voids spaces for physisorption of hydrogen and nanocrystals capable of chemisorption. This project does not directly address any hydrogen storage technical barriers or targets in terms of numbers. Specifically, hydrogen sorption and desorption tests or kinetics measurements were not part of the project scope. However, the insights gained from these studies could help to answer fundamental questions necessary for considering glass-based materials as hydrogen storage media and could be applied indirectly towards the DOE hydrogen storage technical targets such as system weight and volume, system cost and energy density. Such questions are: Can specific macro-crystals, proven to attract hydrogen when in a macroscopic form (bulk), be nucleated in glass matrices as nanocrystals to create two-phased materials? What are suitable compositions that enable to synthetize glass-based, two-phase materials with nanocrystals that can attract hydrogen via surface or bulk interactions? What are the limits of controlling the microstructure of these materials, especially limits for nanocrystals density and size? Finally, from a technological point of view, the fabrication of glass-derived nanocomposites that we explore is a very simple, fast and inexpensive process that does not require costly or specialized equipment which is an important factor for practical applications.

  14. Three methods to measure RH bond energies

    SciTech Connect (OSTI)

    Berkowitz, J. [Argonne National Lab., IL (United States); Ellison, G.B. [Univ. of Colorado, Boulder, CO (United States). Dept. of Chemistry and Biochemistry; Gutman, D. [Catholic Univ. of America, Washington, DC (United States). Dept. of Chemistry

    1993-03-21T23:59:59.000Z

    In this paper the authors compare and contrast three powerful methods for experimentally measuring bond energies in polyatomic molecules. The methods are: radical kinetics; gas phase acidity cycles; and photoionization mass spectroscopy. The knowledge of the values of bond energies are a basic piece of information to a chemist. Chemical reactions involve the making and breaking of chemical bonds. It has been shown that comparable bonds in polyatomic molecules, compared to the same bonds in radicals, can be significantly different. These bond energies can be measured in terms of bond dissociation energies.

  15. Hydrogen energy systems studies

    SciTech Connect (OSTI)

    Ogden, J.M.; Kreutz, T.G.; Steinbugler, M. [Princeton Univ., NJ (United States)] [and others

    1996-10-01T23:59:59.000Z

    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.).

  16. Hydrogen Bus Technology Validation Program

    E-Print Network [OSTI]

    Burke, Andy; McCaffrey, Zach; Miller, Marshall; Collier, Kirk; Mulligan, Neal

    2005-01-01T23:59:59.000Z

    and evaluate hydrogen enriched natural gas (HCNG) enginewas to demonstrate that hydrogen enriched natural gas (HCNG)characteristics of hydrogen enriched natural gas combustion,

  17. The Bumpy Road to Hydrogen

    E-Print Network [OSTI]

    Sperling, Dan; Ogden, Joan M

    2006-01-01T23:59:59.000Z

    will trump hydrogen and fuel cell vehicles. Advocates ofbenefits sooner than hydrogen and fuel cells ever could.emissions from a hydrogen fuel cell vehicle will be about

  18. Liquid Hydrogen Absorber for MICE

    E-Print Network [OSTI]

    Ishimoto, S.

    2010-01-01T23:59:59.000Z

    REFERENCES Figure 5: Liquid hydrogen absorber and test6: Cooling time of liquid hydrogen absorber. Eight CernoxLIQUID HYDROGEN ABSORBER FOR MICE S. Ishimoto, S. Suzuki, M.

  19. Hydrogen in semiconductors and insulators

    E-Print Network [OSTI]

    Van de Walle, Chris G.

    2007-01-01T23:59:59.000Z

    the electronic level of hydrogen (thick red bar) was notdescribing the behavior of hydrogen atoms as impuritiesenergy of interstitial hydrogen as a function of Fermi level

  20. Hydrogen Fuel Cells and Storage Technology: Fundamental Research for Optimization of Hydrogen Storage and Utilization

    SciTech Connect (OSTI)

    Perret, Bob; Heske, Clemens; Nadavalath, Balakrishnan; Cornelius, Andrew; Hatchett, David; Bae, Chusung; Pang, Tao; Kim, Eunja; Hemmers, Oliver

    2011-03-28T23:59:59.000Z

    Design and development of improved low-cost hydrogen fuel cell catalytic materials and high-capacity hydrogenn storage media are paramount to enabling the hydrogen economy. Presently, effective and durable catalysts are mostly precious metals in pure or alloyed form and their high cost inhibits fuel cell applications. Similarly, materials that meet on-board hydrogen storage targets within total mass and volumetric constraints are yet to be found. Both hydrogen storage performance and cost-effective fuel cell designs are intimately linked to the electronic structure, morphology and cost of the chosen materials. The FCAST Project combined theoretical and experimental studies of electronic structure, chemical bonding, and hydrogen adsorption/desorption characteristics of a number of different nanomaterials and metal clusters to develop better fundamental understanding of hydrogen storage in solid state matrices. Additional experimental studies quantified the hydrogen storage properties of synthesized polyaniline(PANI)/Pd composites. Such conducting polymers are especially interesting because of their high intrinsic electron density and the ability to dope the materials with protons, anions, and metal species. Earlier work produced contradictory results: one study reported 7% to 8% hydrogen uptake while a second study reported zero hydrogen uptake. Cost and durability of fuel cell systems are crucial factors in their affordability. Limits on operating temperature, loss of catalytic reactivity and degradation of proton exchange membranes are factors that affect system durability and contribute to operational costs. More cost effective fuel cell components were sought through studies of the physical and chemical nature of catalyst performance, characterization of oxidation and reduction processes on system surfaces. Additional development effort resulted in a new hydrocarbon-based high-performance sulfonated proton exchange membrane (PEM) that can be manufactured at low cost and accompanied by improved mechanical and thermal stability.

  1. Hydrogen Delivery Technologies and Pipeline Transmission of Hydrogen

    E-Print Network [OSTI]

    Hydrogen Delivery Technologies and Systems Pipeline Transmission of Hydrogen Strategic Initiatives, and Infrastructure Technologies Program #12;Pipeline Transmission of Hydrogen --- 2 Copyright: Design & Operation development) #12;Pipeline Transmission of Hydrogen --- 3 Copyright: Future H2 Infrastructure Wind Powered

  2. Gaseous Hydrogen Delivery Breakout- Strategic Directions for Hydrogen Delivery Workshop

    Broader source: Energy.gov [DOE]

    Targets, barriers and research and development priorities for gaseous delivery of hydrogen through hydrogen and natural gas pipelines.

  3. DOE Hydrogen Program Overview

    Broader source: Energy.gov (indexed) [DOE]

    Intl. J. Hydrogen Energy 27: 1217-1228 Melis A, Seibert M and Happe T (2004) Genomics of green algal hydrogen research. Photosynth. Res. 82: 277- 288 Maness P-C, Smolinski...

  4. Hydrogen transport membranes

    DOE Patents [OSTI]

    Mundschau, Michael V.

    2005-05-31T23:59:59.000Z

    Composite hydrogen transport membranes, which are used for extraction of hydrogen from gas mixtures are provided. Methods are described for supporting metals and metal alloys which have high hydrogen permeability, but which are either too thin to be self supporting, too weak to resist differential pressures across the membrane, or which become embrittled by hydrogen. Support materials are chosen to be lattice matched to the metals and metal alloys. Preferred metals with high permeability for hydrogen include vanadium, niobium, tantalum, zirconium, palladium, and alloys thereof. Hydrogen-permeable membranes include those in which the pores of a porous support matrix are blocked by hydrogen-permeable metals and metal alloys, those in which the pores of a porous metal matrix are blocked with materials which make the membrane impervious to gases other than hydrogen, and cermets fabricated by sintering powders of metals with powders of lattice-matched ceramic.

  5. Hydrogen Fuel Quality (Presentation)

    SciTech Connect (OSTI)

    Ohi, J.

    2007-05-17T23:59:59.000Z

    Jim Ohi of NREL's presentation on Hydrogen Fuel Quality at the 2007 DOE Hydrogen Program Annual Merit Review and Peer Evaluation on May 15-18, 2007 in Arlington, Virginia.

  6. Hydrogen Technologies Safety Guide

    SciTech Connect (OSTI)

    Rivkin, C.; Burgess, R.; Buttner, W.

    2015-01-01T23:59:59.000Z

    The purpose of this guide is to provide basic background information on hydrogen technologies. It is intended to provide project developers, code officials, and other interested parties the background information to be able to put hydrogen safety in context. For example, code officials reviewing permit applications for hydrogen projects will get an understanding of the industrial history of hydrogen, basic safety concerns, and safety requirements.

  7. Webinar: Hydrogen Refueling Protocols

    Broader source: Energy.gov [DOE]

    Video recording and text version of the webinar titled, Hydrogen Refueling Protocols, originally presented on February 22, 2013.

  8. Questions and Issues on Hydrogen Pipeline Transmission of Hydrogen

    E-Print Network [OSTI]

    Questions and Issues on Hydrogen Pipelines Pipeline Transmission of Hydrogen Doe Hydrogen Pipeline Working Group Meeting August 31, 2005 #12;Pipeline Transmission of Hydrogen --- 2 Copyright: Air Liquide Transmission of Hydrogen --- 3 Copyright: #12;Pipeline Transmission of Hydrogen --- 4 Copyright: 3. Special

  9. Hydrogen Production CODES & STANDARDS

    E-Print Network [OSTI]

    Hydrogen Production DELIVERY FUEL CELLS STORAGE PRODUCTION TECHNOLOGY VALIDATION CODES & STANDARDS for 2010 · Reduce the cost of distributed production of hydrogen from natural gas and/or liquid fuels to $1 SYSTEMS INTEGRATION / ANALYSES SAFETY EDUCATION RESEARCH & DEVELOPMENT Economy Pete Devlin #12;Hydrogen

  10. Sensitive hydrogen leak detector

    DOE Patents [OSTI]

    Myneni, Ganapati Rao (Yorktown, VA)

    1999-01-01T23:59:59.000Z

    A sensitive hydrogen leak detector system using passivation of a stainless steel vacuum chamber for low hydrogen outgassing, a high compression ratio vacuum system, a getter operating at 77.5 K and a residual gas analyzer as a quantitative hydrogen sensor.

  11. Bonded polyimide fuel cell package

    DOE Patents [OSTI]

    Morse, Jeffrey D.; Jankowski, Alan; Graff, Robert T.; Bettencourt, Kerry

    2010-06-08T23:59:59.000Z

    Described herein are processes for fabricating microfluidic fuel cell systems with embedded components in which micron-scale features are formed by bonding layers of DuPont Kapton.TM. polyimide laminate. A microfluidic fuel cell system fabricated using this process is also described.

  12. Non-bonded ultrasonic transducer

    DOE Patents [OSTI]

    Eoff, J.M.

    1984-07-06T23:59:59.000Z

    A mechanically assembled non-bonded ultrasonic transducer includes a substrate, a piezoelectric film, a wetting agent, a thin metal electrode, and a lens held in intimate contact by a mechanical clamp. No epoxy or glue is used in the assembly of this device.

  13. Hydrogen Delivery Liquefaction and Compression

    Broader source: Energy.gov [DOE]

    Hydrogen Delivery Liquefaction and Compression - Overview of commercial hydrogen liquefaction and compression and opportunities to improve efficiencies and reduce cost.

  14. Alternative Transportation Technologies: Hydrogen, Biofuels,...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Transportation Technologies: Hydrogen, Biofuels, Advanced Efficiency, and Plug-in Hybrid Electric Vehicles Alternative Transportation Technologies: Hydrogen, Biofuels, Advanced...

  15. DOE Hydrogen Program U.S. Department of Energy Hydrogen Program

    E-Print Network [OSTI]

    and more sustainable transportation future. The development of a network of hydrogen-dispensing fueling is a new and different fuel for vehicles, it is used extensively in other applications, such as a chemical. G-095- 2004. 236 p. An American National Standard, comprehensive specific information and guidelines

  16. Computational Study of Bond Dissociation Enthalpies for Substituted $\\beta$-O-4 Lignin Model Compounds

    SciTech Connect (OSTI)

    Younker, Jarod M [ORNL; Beste, Ariana [ORNL; Buchanan III, A C [ORNL

    2011-01-01T23:59:59.000Z

    The biopolymer lignin is a potential source of valuable chemicals. Phenethyl phenyl ether (PPE) is representative of the dominant $\\beta$-O-4 ether linkage. Density functional theory (DFT) is used to calculate the Boltzmann-weighted carbon-oxygen and carbon-carbon bond dissociation enthalpies (BDEs) of substituted PPE. These values are important in order to understand lignin decomposition. Exclusion of all conformers that have distributions of less than 5\\% at 298 K impacts the BDE by less than 1 kcal mol$^{-1}$. We find that aliphatic hydroxyl/methylhydroxyl substituents introduce only small changes to the BDEs (0-3 kcal mol$^{-1}$). Substitution on the phenyl ring at the $ortho$ position substantially lowers the C-O BDE, except in combination with the hydroxyl/methylhydroxyl substituents, where the effect of methoxy substitution is reduced by hydrogen bonding. Hydrogen bonding between the aliphatic substituents and the ether oxygen in the PPE derivatives has a significant influence on the BDE. CCSD(T)-calculated BDEs and hydrogen bond strengths of $ortho$-substituted anisoles when compared with M06-2X values confirm that the latter method is sufficient to describe the molecules studied and provide an important benchmark for lignin model compounds.

  17. Hydrogen separation process

    DOE Patents [OSTI]

    Mundschau, Michael (Longmont, CO); Xie, Xiaobing (Foster City, CA); Evenson, IV, Carl (Lafayette, CO); Grimmer, Paul (Longmont, CO); Wright, Harold (Longmont, CO)

    2011-05-24T23:59:59.000Z

    A method for separating a hydrogen-rich product stream from a feed stream comprising hydrogen and at least one carbon-containing gas, comprising feeding the feed stream, at an inlet pressure greater than atmospheric pressure and a temperature greater than 200.degree. C., to a hydrogen separation membrane system comprising a membrane that is selectively permeable to hydrogen, and producing a hydrogen-rich permeate product stream on the permeate side of the membrane and a carbon dioxide-rich product raffinate stream on the raffinate side of the membrane. A method for separating a hydrogen-rich product stream from a feed stream comprising hydrogen and at least one carbon-containing gas, comprising feeding the feed stream, at an inlet pressure greater than atmospheric pressure and a temperature greater than 200.degree. C., to an integrated water gas shift/hydrogen separation membrane system wherein the hydrogen separation membrane system comprises a membrane that is selectively permeable to hydrogen, and producing a hydrogen-rich permeate product stream on the permeate side of the membrane and a carbon dioxide-rich product raffinate stream on the raffinate side of the membrane. A method for pretreating a membrane, comprising: heating the membrane to a desired operating temperature and desired feed pressure in a flow of inert gas for a sufficient time to cause the membrane to mechanically deform; decreasing the feed pressure to approximately ambient pressure; and optionally, flowing an oxidizing agent across the membrane before, during, or after deformation of the membrane. A method of supporting a hydrogen separation membrane system comprising selecting a hydrogen separation membrane system comprising one or more catalyst outer layers deposited on a hydrogen transport membrane layer and sealing the hydrogen separation membrane system to a porous support.

  18. Anti-Hydrogen Jonny Martinez

    E-Print Network [OSTI]

    Budker, Dmitry

    Anti-Hydrogen Jonny Martinez University of California, Berkeley #12;OUTLINE WHAT IS ANTI-HYDROGEN? HISTORY IMPORTANCE THEORY HOW TO MAKE ANTI-HYDROGEN OTHER ANTI-MATTER EXPERIMENTS CONCLUSION #12;WHAT IS ANTI-HYDROGEN? Anti-hydrogen is composed of a Positron(anti-electron) and anti-Proton. Anti-Hydrogen

  19. Method for producing hydrogen

    SciTech Connect (OSTI)

    Preston, J.L.

    1980-02-26T23:59:59.000Z

    In a method for producing high quality hydrogen, the carbon monoxide level of a hydrogen stream which also contains hydrogen sulfide is shifted in a bed of iron oxide shift catalyst to a desired low level of carbon monoxide using less catalyst than the minimum amount of catalyst which would otherwise be required if there were no hydrogen sulfide in the gas stream. Under normal operating conditions the presence of even relatively small amounts of hydrogen sulfide can double the activity of the catalyst such that much less catalyst may be used to do the same job.

  20. HYDROGEN USAGE AND STORAGE

    E-Print Network [OSTI]

    It is thought that it will be useful to inform society and people who are interested in hydrogen energy. The study below has been prepared due to this aim can be accepted as an article to exchange of information between people working on this subject. This study has been presented to reader to be utilized as a “technical note”. Main Energy sources coal, petroleum and natural gas are the fossil fuels we use today. They are going to be exhausted since careless usage in last decades through out the world, and human being is going to face the lack of energy sources in the near future. On the other hand as the fossil fuels pollute the environment makes the hydrogen important for an alternative energy source against to the fossil fuels. Due to the slow progress in hydrogen’s production, storage and converting into electrical energy experience, extensive usage of Hydrogen can not find chance for applications in wide technological practices. Hydrogen storage stands on an important point in the development of Hydrogen energy Technologies. Hydrogen is volumetrically low energy concentration fuel. Hydrogen energy, to meet the energy quantity necessary for the nowadays technologies and to be accepted economically and physically against fossil fuels, Hydrogen storage technologies have to be developed in this manner. Today the most common method in hydrogen storage may be accepted as the high pressurized composite tanks. Hydrogen is stored as liquid or gaseous phases. Liquid hydrogen phase can be stored by using composite tanks under very high pressure conditions. High technology composite material products which are durable to high pressures, which should not be affected by hydrogen embrittlement and chemical conditions.[1

  1. The Market for Borrowing Corporate Bonds

    E-Print Network [OSTI]

    Asquith, Paul

    This paper describes the market for borrowing corporate bonds using a comprehensive data set from a major lender. The cost of borrowing corporate bonds is comparable to the cost of borrowing stock, between 10 and 20 basis ...

  2. Industrial Revenue Bond Issuance Cost Assistance (Wisconsin)

    Broader source: Energy.gov [DOE]

    Industrial Revenue Bonds (IRB) are tax-exempt bonds that can be used to stimulate capital investment and job creation by providing private borrowers with access to financing at interest rates that...

  3. Major Business Expansion Bond Program (Maine)

    Broader source: Energy.gov [DOE]

    The Major Business Expansion Bond Program provides long-term, credit-enhanced financing up to $25,000,000 at taxable bond rates for businesses creating or retaining at least 50 jobs; up to $10,000...

  4. Secondary Market Taxable Bond Program (Maine)

    Broader source: Energy.gov [DOE]

    The Secondary Market Taxable Bond Program provides tax-exempt interest rate bond financing for real estate and machinery and equipment acquisitions. Up to 90% of the project debt may be financed,...

  5. Information Sharing Networks and Ethnic Homophily in Hawaii's

    E-Print Network [OSTI]

    Hawai'i at Manoa, University of

    ." ­ (Putnam 2001) Social Networks source:infovark.com #12;Social Capital Bonding Close reciprocal ties trust stakeholders Linking Ties across disparate groups Diffusion of innovation & scientific information (Grafton Coalitional/ Bridging Bridging Complete/ Bonding Complete/ Bonding Framework: Crowe (2007) (Barnes-Mauthe et

  6. Bonded, walk-off compensated optical elements

    DOE Patents [OSTI]

    Ebbers, Christopher A. (Livermore, CA)

    2003-04-08T23:59:59.000Z

    A bonded, walk-off compensated crystal, for use with optical equipment, and methods of making optical components including same.

  7. Study of bump bonding technology

    SciTech Connect (OSTI)

    Selcuk Cihangir et al.

    2003-10-17T23:59:59.000Z

    Pixel detectors proposed for the new generation of hadron collider experiments will use bump-bonding technology based on either indium or Pb/Sn solder to connect the front-end readout chips to the silicon pixel sensors. We have previously reported large-scale tests of the yield using both indium and Pb/Sn solder bump [1]. The conclusion is that both seem to be viable for pixel detectors. We have also carried out studies of various effects (e.g. storage over long period, effect of heating and cooling, and radiation) on both types of bump bonds using daisy-chained parts on a small scale [2], [3]. Overall, these tests showed little changes in the integrity of the bump connections. Nevertheless, questions still remain on the long-term reliability of the bumps due to thermal cycle effects, attachment to a substrate with a different coefficient of thermal expansion (CTE), and radiation.

  8. Hydrogen Filling Station

    SciTech Connect (OSTI)

    Boehm, Robert F; Sabacky, Bruce; Anderson II, Everett B; Haberman, David; Al-Hassin, Mowafak; He, Xiaoming; Morriseau, Brian

    2010-02-24T23:59:59.000Z

    Hydrogen is an environmentally attractive transportation fuel that has the potential to displace fossil fuels. The Freedom CAR and Freedom FUEL initiatives emphasize the importance of hydrogen as a future transportation fuel. Presently, Las Vegas has one hydrogen fueling station powered by natural gas. However, the use of traditional sources of energy to produce hydrogen does not maximize the benefit. The hydrogen fueling station developed under this grant used electrolysis units and solar energy to produce hydrogen fuel. Water and electricity are furnished to the unit and the output is hydrogen and oxygen. Three vehicles were converted to utilize the hydrogen produced at the station. The vehicles were all equipped with different types of technologies. The vehicles were used in the day-to-day operation of the Las Vegas Valley Water District and monitoring was performed on efficiency, reliability and maintenance requirements. The research and demonstration utilized for the reconfiguration of these vehicles could lead to new technologies in vehicle development that could make hydrogen-fueled vehicles more cost effective, economical, efficient and more widely used. In order to advance the development of a hydrogen future in Southern Nevada, project partners recognized a need to bring various entities involved in hydrogen development and deployment together as a means of sharing knowledge and eliminating duplication of efforts. A road-mapping session was held in Las Vegas in June 2006. The Nevada State Energy Office, representatives from DOE, DOE contractors and LANL, NETL, NREL were present. Leadership from the National hydrogen Association Board of Directors also attended. As a result of this session, a roadmap for hydrogen development was created. This roadmap has the ability to become a tool for use by other road-mapping efforts in the hydrogen community. It could also become a standard template for other states or even countries to approach planning for a hydrogen future. Project partners also conducted a workshop on hydrogen safety and permitting. This provided an opportunity for the various permitting agencies and end users to gather to share experiences and knowledge. As a result of this workshop, the permitting process for the hydrogen filling station on the Las Vegas Valley Water District’s land was done more efficiently and those who would be responsible for the operation were better educated on the safety and reliability of hydrogen production and storage. The lessons learned in permitting the filling station and conducting this workshop provided a basis for future hydrogen projects in the region. Continuing efforts to increase the working pressure of electrolysis and efficiency have been pursued. Research was also performed on improving the cost, efficiency and durability of Proton Exchange Membrane (PEM) hydrogen technology. Research elements focused upon PEM membranes, electrodes/catalysts, membrane-electrode assemblies, seals, bipolar plates, utilization of renewable power, reliability issues, scale, and advanced conversion topics. Additionally, direct solar-to-hydrogen conversion research to demonstrate stable and efficient photoelectrochemistry (PEC) hydrogen production systems based on a number of optional concepts was performed. Candidate PEC concepts included technical obstacles such as inefficient photocatalysis, inadequate photocurrent due to non-optimal material band gap energies, rapid electron-hole recombination, reduced hole mobility and diminished operational lifetimes of surface materials exposed to electrolytes. Project Objective 1: Design, build, operate hydrogen filling station Project Objective 2: Perform research and development for utilizing solar technologies on the hydrogen filling station and convert two utility vehicles for use by the station operators Project Objective 3: Increase capacity of hydrogen filling station; add additional vehicle; conduct safety workshop; develop a roadmap for hydrogen development; accelerate the development of photovoltaic components Project Objective 4:

  9. Hydrogen Energy Stations: Poly-Production of Electricity, Hydrogen, and Thermal Energy

    E-Print Network [OSTI]

    Lipman, Timothy; Brooks, Cameron

    2006-01-01T23:59:59.000Z

    psi) High-pressure hydrogen compressor Compressed hydrogen2005 High-pressure hydrogen compressor Compressed hydrogenthe hydrogen, a hydrogen compressor, high-pressure tank

  10. Clean Energy and Bond Finance Initiative

    Broader source: Energy.gov [DOE]

    Provides information on Clean Energy and Bond Finance Initiative (CE+BFI). CE+BFI brings together public infrastructure finance agencies, clean energy public fund managers and institutional investors across the country to explore how to raise capital at scale for clean energy development through bond financing. Author: Clean Energy and Bond Finance Initiative

  11. Ultrafine hydrogen storage powders

    DOE Patents [OSTI]

    Anderson, Iver E. (Ames, IA); Ellis, Timothy W. (Doylestown, PA); Pecharsky, Vitalij K. (Ames, IA); Ting, Jason (Ames, IA); Terpstra, Robert (Ames, IA); Bowman, Robert C. (La Mesa, CA); Witham, Charles K. (Pasadena, CA); Fultz, Brent T. (Pasadena, CA); Bugga, Ratnakumar V. (Arcadia, CA)

    2000-06-13T23:59:59.000Z

    A method of making hydrogen storage powder resistant to fracture in service involves forming a melt having the appropriate composition for the hydrogen storage material, such, for example, LaNi.sub.5 and other AB.sub.5 type materials and AB.sub.5+x materials, where x is from about -2.5 to about +2.5, including x=0, and the melt is gas atomized under conditions of melt temperature and atomizing gas pressure to form generally spherical powder particles. The hydrogen storage powder exhibits improved chemcial homogeneity as a result of rapid solidfication from the melt and small particle size that is more resistant to microcracking during hydrogen absorption/desorption cycling. A hydrogen storage component, such as an electrode for a battery or electrochemical fuel cell, made from the gas atomized hydrogen storage material is resistant to hydrogen degradation upon hydrogen absorption/desorption that occurs for example, during charging/discharging of a battery. Such hydrogen storage components can be made by consolidating and optionally sintering the gas atomized hydrogen storage powder or alternately by shaping the gas atomized powder and a suitable binder to a desired configuration in a mold or die.

  12. Inorganic Chemistry in Hydrogen Storage and Biomass Catalysis

    SciTech Connect (OSTI)

    Thorn, David [Los Alamos National Laboratory

    2012-06-13T23:59:59.000Z

    Making or breaking C-H, B-H, C-C bonds has been at the core of catalysis for many years. Making or breaking these bonds to store or recover energy presents us with fresh challenges, including how to catalyze these transformations in molecular systems that are 'tuned' to minimize energy loss and in molecular and material systems present in biomass. This talk will discuss some challenging transformations in chemical hydrogen storage, and some aspects of the inorganic chemistry we are studying in the development of catalysts for biomass utilization.

  13. Analysis of hydrogen isotope mixtures

    DOE Patents [OSTI]

    Villa-Aleman, Eliel (Aiken, SC)

    1994-01-01T23:59:59.000Z

    An apparatus and method for determining the concentrations of hydrogen isotopes in a sample. Hydrogen in the sample is separated from other elements using a filter selectively permeable to hydrogen. Then the hydrogen is condensed onto a cold finger or cryopump. The cold finger is rotated as pulsed laser energy vaporizes a portion of the condensed hydrogen, forming a packet of molecular hydrogen. The desorbed hydrogen is ionized and admitted into a mass spectrometer for analysis.

  14. Hydrogen Infrastructure Market Readiness: Opportunities and Potential for Near-term Cost Reductions; Proceedings of the Hydrogen Infrastructure Market Readiness Workshop and Summary of Feedback Provided through the Hydrogen Station Cost Calculator

    SciTech Connect (OSTI)

    Melaina, M. W.; Steward, D.; Penev, M.; McQueen, S.; Jaffe, S.; Talon, C.

    2012-08-01T23:59:59.000Z

    Recent progress with fuel cell electric vehicles (FCEVs) has focused attention on hydrogen infrastructure as a critical commercialization barrier. With major automakers focused on 2015 as a target timeframe for global FCEV commercialization, the window of opportunity is short for establishing a sufficient network of hydrogen stations to support large-volume vehicle deployments. This report describes expert feedback on the market readiness of hydrogen infrastructure technology from two activities.

  15. BP and Hydrogen Pipelines DOE Hydrogen Pipeline Working Group Workshop

    E-Print Network [OSTI]

    BP and Hydrogen Pipelines DOE Hydrogen Pipeline Working Group Workshop August 30-31, 2005 Gary P · UK partnership opened the first hydrogen demonstration refueling station · Two hydrogen pipelines l · " i i l i 2 i i ll i i l pl ifi i · 8" ly idl i i l s Hydrogen Pipelines Two nes, on y a brand

  16. Hawaii hydrogen power park Hawaii Hydrogen Power Park

    E-Print Network [OSTI]

    . (Barrier R ­ Cost) Generate public interest & support. (Barrier S­Siting) #12;Hawaii hydrogen power park H Electrolyzer ValveManifold Water High Pressure H2 Storage Fuel Cell AC Power H2 Compressor Hydrogen Supply O2Hawaii hydrogen power park H Hawaii Hydrogen Power Park 2003 Hydrogen & Fuel Cells Merit Review

  17. Hydrogenation of carbonaceous materials

    DOE Patents [OSTI]

    Friedman, Joseph (Encino, CA); Oberg, Carl L. (Canoga Park, CA); Russell, Larry H. (Agoura, CA)

    1980-01-01T23:59:59.000Z

    A method for reacting pulverized coal with heated hydrogen-rich gas to form hydrocarbon liquids suitable for conversion to fuels wherein the reaction involves injection of pulverized coal entrained in a minimum amount of gas and mixing the entrained coal at ambient temperature with a separate source of heated hydrogen. In accordance with the present invention, the hydrogen is heated by reacting a small portion of the hydrogen-rich gas with oxygen in a first reaction zone to form a gas stream having a temperature in excess of about 1000.degree. C. and comprising a major amount of hydrogen and a minor amount of water vapor. The coal particles then are reacted with the hydrogen in a second reaction zone downstream of the first reaction zone. The products of reaction may be rapidly quenched as they exit the second reaction zone and are subsequently collected.

  18. High Pressure Hydrogen Materials Compatibility of Piezoelectric...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Pressure Hydrogen Materials Compatibility of Piezoelectric Films. High Pressure Hydrogen Materials Compatibility of Piezoelectric Films. Abstract: Abstract: Hydrogen is being...

  19. Hydrogen powered bus

    ScienceCinema (OSTI)

    None

    2013-11-22T23:59:59.000Z

    Take a ride on a new type of bus, fueled by hydrogen. These hydrogen taxis are part of a Department of Energy-funded deployment of hydrogen powered vehicles and fueling infrastructure at nine federal facilities across the country to demonstrate this market-ready advanced technology. Produced and leased by Ford Motor Company , they consist of one 12- passenger bus and one nine-passenger bus. More information at: http://go.usa.gov/Tgr

  20. Hydrogen energy systems studies

    SciTech Connect (OSTI)

    Ogden, J.M.; Steinbugler, M.; Dennis, E. [Princeton Univ., NJ (United States)] [and others

    1995-09-01T23:59:59.000Z

    For several years, researchers at Princeton University`s Center for Energy and Environmental Studies have carried out technical and economic assessments of hydrogen energy systems. Initially, we focussed on the long term potential of renewable hydrogen. More recently we have explored how a transition to renewable hydrogen might begin. The goal of our current work is to identify promising strategies leading from near term hydrogen markets and technologies toward eventual large scale use of renewable hydrogen as an energy carrier. Our approach has been to assess the entire hydrogen energy system from production through end-use considering technical performance, economics, infrastructure and environmental issues. This work is part of the systems analysis activity of the DOE Hydrogen Program. In this paper we first summarize the results of three tasks which were completed during the past year under NREL Contract No. XR-11265-2: in Task 1, we carried out assessments of near term options for supplying hydrogen transportation fuel from natural gas; in Task 2, we assessed the feasibility of using the existing natural gas system with hydrogen and hydrogen blends; and in Task 3, we carried out a study of PEM fuel cells for residential cogeneration applications, a market which might have less stringent cost requirements than transportation. We then give preliminary results for two other tasks which are ongoing under DOE Contract No. DE-FG04-94AL85803: In Task 1 we are assessing the technical options for low cost small scale production of hydrogen from natural gas, considering (a) steam reforming, (b) partial oxidation and (c) autothermal reforming, and in Task 2 we are assessing potential markets for hydrogen in Southern California.

  1. Dynamics of water and aqueous protons studied using ultrafast multi-dimensional infrared spectroscopy

    E-Print Network [OSTI]

    Ramasesha, Krupa

    2013-01-01T23:59:59.000Z

    Liquid water consists of a highly dynamic network of hydrogen bonds, which evolves on timescales ranging from tens of femtoseconds to a few picoseconds. The fast structural evolution of water's hydrogen bond network is at ...

  2. Hydrogen | Department of Energy

    Broader source: Energy.gov (indexed) [DOE]

    electric cooperatives* to offer net metering to customers who generate electricity using solar energy, wind energy, hydropower, hydrogen, biomass, landfill gas, geothermal energy,...

  3. Renewable Hydrogen (Presentation)

    SciTech Connect (OSTI)

    Remick, R. J.

    2009-11-16T23:59:59.000Z

    Presentation about the United State's dependence on oil, how energy solutions are challenging, and why hydrogen should be considered as a long-term alternative for transportation fuel.

  4. Hydrogen Industrial Trucks

    Broader source: Energy.gov [DOE]

    Slides from the U.S. Department of Energy Hydrogen Component and System Qualification Workshop held November 4, 2010 in Livermore, CA.

  5. Hydrogen purification system

    DOE Patents [OSTI]

    Golben, Peter Mark

    2010-06-15T23:59:59.000Z

    The present invention provides a system to purify hydrogen involving the use of a hydride compressor and catalytic converters combined with a process controller.

  6. Hydrogen Fuel Cells

    Fuel Cell Technologies Publication and Product Library (EERE)

    The fuel cell — an energy conversion device that can efficiently capture and use the power of hydrogen — is the key to making it happen.

  7. Department of Energy - Hydrogen

    Broader source: Energy.gov (indexed) [DOE]

    Goes to.... Lighting Up Operations with Hydrogen and Fuel Cell Technology http:energy.goveerearticlesand-oscar-sustainable-mobile-lighting-goes-lighting-operations-hydro...

  8. Sustainable hydrogen production

    SciTech Connect (OSTI)

    Block, D.L.; Linkous, C.; Muradov, N.

    1996-01-01T23:59:59.000Z

    This report describes the Sustainable Hydrogen Production research conducted at the Florida Solar Energy Center (FSEC) for the past year. The report presents the work done on the following four tasks: Task 1--production of hydrogen by photovoltaic-powered electrolysis; Task 2--solar photocatalytic hydrogen production from water using a dual-bed photosystem; Task 3--development of solid electrolytes for water electrolysis at intermediate temperatures; and Task 4--production of hydrogen by thermocatalytic cracking of natural gas. For each task, this report presents a summary, introduction/description of project, and results.

  9. Hydrogen permeation resistant barrier

    DOE Patents [OSTI]

    McGuire, Joseph C. (Richland, WA); Brehm, William F. (Richland, WA)

    1982-01-01T23:59:59.000Z

    A hydrogen permeation resistant barrier is formed by diffusing aluminum into an iron or nickel alloy and forming an intermetallic aluminide layer.

  10. Thin film hydrogen sensor

    DOE Patents [OSTI]

    Lauf, Robert J. (Oak Ridge, TN); Hoffheins, Barbara S. (Knoxville, TN); Fleming, Pamela H. (Oak Ridge, TN)

    1994-01-01T23:59:59.000Z

    A hydrogen sensor element comprises an essentially inert, electrically-insulating substrate having a thin-film metallization deposited thereon which forms at least two resistors on the substrate. The metallization comprises a layer of Pd or a Pd alloy for sensing hydrogen and an underlying intermediate metal layer for providing enhanced adhesion of the metallization to the substrate. An essentially inert, electrically insulating, hydrogen impermeable passivation layer covers at least one of the resistors, and at least one of the resistors is left uncovered. The difference in electrical resistances of the covered resistor and the uncovered resistor is related to hydrogen concentration in a gas to which the sensor element is exposed.

  11. Hydrogen Delivery - Basics | Department of Energy

    Broader source: Energy.gov (indexed) [DOE]

    Delivery Hydrogen Delivery - Basics Hydrogen Delivery - Basics Photo of light-duty vehicle at hydrogen refueling station. Infrastructure is required to move hydrogen from the...

  12. Enhancing hydrogen spillover and storage

    DOE Patents [OSTI]

    Yang, Ralph T. (Ann Arbor, MI); Li, Yingwel (Ann Arbor, MI); Lachawiec, Jr., Anthony J. (Ann Arbor, MI)

    2011-05-31T23:59:59.000Z

    Methods for enhancing hydrogen spillover and storage are disclosed. One embodiment of the method includes doping a hydrogen receptor with metal particles, and exposing the hydrogen receptor to ultrasonification as doping occurs. Another embodiment of the method includes doping a hydrogen receptor with metal particles, and exposing the doped hydrogen receptor to a plasma treatment.

  13. Enhancing hydrogen spillover and storage

    SciTech Connect (OSTI)

    Yang, Ralph T; Li, Yingwei; Lachawiec, Jr., Anthony J

    2013-02-12T23:59:59.000Z

    Methods for enhancing hydrogen spillover and storage are disclosed. One embodiment of the method includes doping a hydrogen receptor with metal particles, and exposing the hydrogen receptor to ultrasonication as doping occurs. Another embodiment of the method includes doping a hydrogen receptor with metal particles, and exposing the doped hydrogen receptor to a plasma treatment.

  14. Electrochemical hydrogen Storage Systems

    SciTech Connect (OSTI)

    Dr. Digby Macdonald

    2010-08-09T23:59:59.000Z

    As the global need for energy increases, scientists and engineers have found a possible solution by using hydrogen to power our world. Although hydrogen can be combusted as a fuel, it is considered an energy carrier for use in fuel cells wherein it is consumed (oxidized) without the production of greenhouse gases and produces electrical energy with high efficiency. Chemical storage of hydrogen involves release of hydrogen in a controlled manner from materials in which the hydrogen is covalently bound. Sodium borohydride and aminoborane are two materials given consideration as chemical hydrogen storage materials by the US Department of Energy. A very significant barrier to adoption of these materials as hydrogen carriers is their regeneration from 'spent fuel,' i.e., the material remaining after discharge of hydrogen. The U.S. Department of Energy (DOE) formed a Center of Excellence for Chemical Hydrogen Storage, and this work stems from that project. The DOE has identified boron hydrides as being the main compounds of interest as hydrogen storage materials. The various boron hydrides are then oxidized to release their hydrogen, thereby forming a 'spent fuel' in the form of a lower boron hydride or even a boron oxide. The ultimate goal of this project is to take the oxidized boron hydrides as the spent fuel and hydrogenate them back to their original form so they can be used again as a fuel. Thus this research is essentially a boron hydride recycling project. In this report, research directed at regeneration of sodium borohydride and aminoborane is described. For sodium borohydride, electrochemical reduction of boric acid and sodium metaborate (representing spent fuel) in alkaline, aqueous solution has been investigated. Similarly to literature reports (primarily patents), a variety of cathode materials were tried in these experiments. Additionally, approaches directed at overcoming electrostatic repulsion of borate anion from the cathode, not described in the previous literature for electrochemical reduction of spent fuels, have been attempted. A quantitative analytical method for measuring the concentration of sodium borohydride in alkaline aqueous solution has been developed as part of this work and is described herein. Finally, findings from stability tests for sodium borohydride in aqueous solutions of several different compositions are reported. For aminoborane, other research institutes have developed regeneration schemes involving tributyltin hydride. In this report, electrochemical reduction experiments attempting to regenerate tributyltin hydride from tributyltin chloride (a representative by-product of the regeneration scheme) are described. These experiments were performed in the non-aqueous solvents acetonitrile and 1,2-dimethoxyethane. A non-aqueous reference electrode for electrolysis experiments in acetonitrile was developed and is described. One class of boron hydrides, called polyhedral boranes, became of interest to the DOE due to their ability to contain a sufficient amount of hydrogen to meet program goals and because of their physical and chemical safety attributes. Unfortunately, the research performed here has shown that polyhedral boranes do not react in such a way as to allow enough hydrogen to be released, nor do they appear to undergo hydrogenation from the spent fuel form back to the original hydride. After the polyhedral boranes were investigated, the project goals remained the same but the hydrogen storage material was switched by the DOE to ammonia borane. Ammonia borane was found to undergo an irreversible hydrogen release process, so a direct hydrogenation was not able to occur. To achieve the hydrogenation of the spent ammonia borane fuel, an indirect hydrogenation reaction is possible by using compounds called organotin hydrides. In this process, the organotin hydrides will hydrogenate the spent ammonia borane fuel at the cost of their own oxidation, which forms organotin halides. To enable a closed-loop cycle, our task was then to be able to hydrogenate the organotin halides back to th

  15. Process for exchanging hydrogen isotopes between gaseous hydrogen and water

    DOE Patents [OSTI]

    Hindin, Saul G. (Mendham, NJ); Roberts, George W. (Westfield, NJ)

    1980-08-12T23:59:59.000Z

    A process for exchanging isotopes of hydrogen, particularly tritium, between gaseous hydrogen and water is provided whereby gaseous hydrogen depeleted in tritium and liquid or gaseous water containing tritium are reacted in the presence of a metallic catalyst.

  16. Bond Programs | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home5b9fcbce19 NoPublic Utilities Address: 160Benin: Energy ResourcesJersey:formBlueBombay Beach, California:Bonds allow governments

  17. Membrane for hydrogen recovery from streams containing hydrogen sulfide

    DOE Patents [OSTI]

    Agarwal, Pradeep K.

    2007-01-16T23:59:59.000Z

    A membrane for hydrogen recovery from streams containing hydrogen sulfide is provided. The membrane comprises a substrate, a hydrogen permeable first membrane layer deposited on the substrate, and a second membrane layer deposited on the first layer. The second layer contains sulfides of transition metals and positioned on the on a feed side of the hydrogen sulfide stream. The present invention also includes a method for the direct decomposition of hydrogen sulfide to hydrogen and sulfur.

  18. Hydrogen, Fuel Cells & Infrastructure Technologies ProgramHydrogen, Fuel Cells & Infrastructure Technologies Program Hydrogen Codes &

    E-Print Network [OSTI]

    for hydrogen refueling and storage, by 2006; · Complete and adopt the revised NFPA 55 standard for hydrogen storage of hydrogen, by 2008; · Complete U.S. adoption of a Global Technical Regulation (GTR) for hydrogen, storage, and use of hydrogen incorporate project safety requirements into the procurements, by 2005

  19. The selective hydrogenation of crotonaldehyde over bimetallic catalysts

    SciTech Connect (OSTI)

    Schoeb, A.M.

    1997-02-01T23:59:59.000Z

    The selective hydrogenation of crotonaldehyde has been investigated over a monometallic Pt/SiO{sub 2} catalyst and platinum bimetallic catalysts where the second metal was either silver, copper, or tin. The effects of addition of a second metal to the Pt/SiO{sub 2} system on the selectivity to crotyl alcohol were investigated. The Pt-Sn bimetallic catalysts were characterized by hydrogen chemisorption, {sup 1}H NMR and microcalorimetry. The Pt-Ag/SiO{sub 2} and Pt-Cu/SiO{sub 2} catalysts were characterized by hydrogen chemisorption. Pt-Sn/SiO{sub 2} catalysts selectively hydrogenated crotonaldehyde to crotyl alcohol and the method of preparation of these catalysts affected the selectivity. The most selective Pt-Sn/SiO{sub 2} catalysts for the hydrogenation of crotonaldehyde to crotyl alcohol were those in which the Sn precursor was dissolved in a HCl solution. Sn increased both the rate of formation of butyraldehyde and the rate of formation of crotyl alcohol. The Pt/SiO{sub 2}, Pt-Ag/SiO{sub 2} and Pt-Cu/SiO{sub 2} catalysts produced only butyraldehyde. Initial heats of adsorption ({approximately}90 kJ/mol) measured using microcalorimetry were not affected by the presence of Sn on Pt. We can conclude that there is no through metal electronic interaction between Pt and Sn at least with respect to hydrogen surface bonds since the Pt and Pt-Sn at least with respect to hydrogen surface bonds since the Pt and Pt-Sn had similar initial heats of adsorption coupled with the invariance of the {sup 1}H NMR Knight shift.

  20. Thick film hydrogen sensor

    DOE Patents [OSTI]

    Hoffheins, Barbara S. (Knoxville, TN); Lauf, Robert J. (Oak Ridge, TN)

    1995-01-01T23:59:59.000Z

    A thick film hydrogen sensor element includes an essentially inert, electrically-insulating substrate having deposited thereon a thick film metallization forming at least two resistors. The metallization is a sintered composition of Pd and a sinterable binder such as glass frit. An essentially inert, electrically insulating, hydrogen impermeable passivation layer covers at least one of the resistors.

  1. August 2006 Hydrogen Program

    E-Print Network [OSTI]

    after the date of enactment of this Act, the Secretary shall submit to Congress a report evaluating's primary transportation fuel from petroleum, which is increasingly imported, to hydrogen, which can the energy, environmental and economic benefits of a hydrogen economy. The goals and milestones

  2. Hydrogen, Fuel Infrastructure

    E-Print Network [OSTI]

    results of using hydrogen power, of course, will be energy independence for this nation... think about between hydrogen and oxygen generates energy, which can be used to power a car producing only water to taking these cars from laboratory to showroom so that the first car driven by a child born today could

  3. Hydrogen Delivery- Current Technology

    Broader source: Energy.gov [DOE]

    Hydrogen is transported from the point of production to the point of use via pipeline, over the road in cryogenic liquid trucks or gaseous tube trailers, or by rail or barge. Read on to learn more about current hydrogen delivery and storage technologies.

  4. Renewable Resources for Hydrogen (Presentation)

    SciTech Connect (OSTI)

    Jalalzadeh-Azar, A. A.

    2010-05-03T23:59:59.000Z

    This presentation provides an overview of renewable resources for hydrogen. It was presented at the National Hydrogen Association Hydrogen Conference & Expo in Long Beach, CA, May 3-6, 2010.

  5. Hydrogen in semiconductors and insulators

    E-Print Network [OSTI]

    Van de Walle, Chris G.

    2007-01-01T23:59:59.000Z

    type can be applied to hydrogen storage materials. Keywords:can be applied to hydrogen storage materials. Manuscript O-of the formalism to hydrogen storage materials. A partial

  6. The Bumpy Road to Hydrogen

    E-Print Network [OSTI]

    Sperling, Dan; Ogden, Joan M

    2006-01-01T23:59:59.000Z

    in the cost of hydrogen production, distribution, and use.accelerate R&D of zero-emission hydrogen production methods.Renewable hydrogen production is a key area for focused

  7. Hydrogen from Coal Edward Schmetz

    E-Print Network [OSTI]

    Turbines Carbon Capture & Sequestration Carbon Capture & Sequestration The Hydrogen from Coal Program Cells, Turbines, and Carbon Capture & Sequestration #12;Production Goal for Hydrogen from Coal Central Separation System PSA Membrane Membrane Carbon Sequestration Yes (87%) Yes (100%) Yes (100%) Hydrogen

  8. The Bumpy Road to Hydrogen

    E-Print Network [OSTI]

    Sperling, Dan; Ogden, Joan M

    2006-01-01T23:59:59.000Z

    It appears to us that hydrogen is a highly promising option06—16 The Bumpy Road to Hydrogen Daniel Sperling Joan OgdenThe Bumpy Road to Hydrogen 1 Daniel Sperling and Joan Ogden

  9. Hydrogen Fuel Quality

    SciTech Connect (OSTI)

    Rockward, Tommy [Los Alamos National Laboratory

    2012-07-16T23:59:59.000Z

    For the past 6 years, open discussions and/or meetings have been held and are still on-going with OEM, Hydrogen Suppliers, other test facilities from the North America Team and International collaborators regarding experimental results, fuel clean-up cost, modeling, and analytical techniques to help determine levels of constituents for the development of an international standard for hydrogen fuel quality (ISO TC197 WG-12). Significant progress has been made. The process for the fuel standard is entering final stages as a result of the technical accomplishments. The objectives are to: (1) Determine the allowable levels of hydrogen fuel contaminants in support of the development of science-based international standards for hydrogen fuel quality (ISO TC197 WG-12); and (2) Validate the ASTM test method for determining low levels of non-hydrogen constituents.

  10. Effect of the Protein Denaturants Urea and Guanidinium on Water Structure: A Structural and Thermodynamic Study

    E-Print Network [OSTI]

    Sharp, Kim

    in the hydrogen bond network of water in the first hydration shell of urea and guanidinium were analyzed in terms of the random network model using Monte Carlo simulations. Bulk water consists of two populations of hydrogen and more bent hydrogen bonds. In the first shell of urea, hydrogen bonds between waters solvating the amino

  11. Hydrogen Data Book from the Hydrogen Analysis Resource Center

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    The Hydrogen Data Book contains a wide range of factual information on hydrogen and fuel cells (e.g., hydrogen properties, hydrogen production and delivery data, and information on fuel cells and fuel cell vehicles), and it also provides other data that might be useful in analyses of hydrogen infrastructure in the United States (e.g., demographic data and data on energy supply and/or infrastructure). ItĆs made available from the Hydrogen Analysis Resource Center along with a wealth of related information. The related information includes guidelines for DOE Hydrogen Program Analysis, various calculator tools, a hydrogen glossary, related websites, and analysis tools relevant to hydrogen and fuel cells. [From http://hydrogen.pnl.gov/cocoon/morf/hydrogen

  12. Vacuum fusion bonded glass plates having microstructures thereon

    DOE Patents [OSTI]

    Swierkowski, Steve P. (Livermore, CA); Davidson, James C. (Livermore, CA); Balch, Joseph W. (Livermore, CA)

    2001-01-01T23:59:59.000Z

    An improved apparatus and method for vacuum fusion bonding of large, patterned glass plates. One or both glass plates are patterned with etched features such as microstructure capillaries and a vacuum pumpout moat, with one plate having at least one hole therethrough for communication with a vacuum pumpout fixture. High accuracy alignment of the plates is accomplished by a temporary clamping fixture until the start of the fusion bonding heat cycle. A complete, void-free fusion bond of seamless, full-strength quality is obtained through the plates; because the glass is heated well into its softening point and because of a large, distributed force that is developed that presses the two plates together from the difference in pressure between the furnace ambient (high pressure) and the channeling and microstructures in the plates (low pressure) due to the vacuum drawn. The apparatus and method may be used to fabricate microcapillary arrays for chemical electrophoresis; for example, any apparatus using a network of microfluidic channels embedded between plates of glass or similar moderate melting point substrates with a gradual softening point curve, or for assembly of glass-based substrates onto larger substrates, such as in flat panel display systems.

  13. Turing Water into Hydrogen Fuel

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Turning Water into Hydrogen Fuel Turning Water into Hydrogen Fuel New method creates highly reactive catalytic surface, packed with hydroxyl species May 15, 2012 | Tags: Franklin,...

  14. Nuclear reactor multiphysics via bond graph formalism

    E-Print Network [OSTI]

    Sosnovsky, Eugeny

    2014-01-01T23:59:59.000Z

    This work proposes a simple and effective approach to modeling nuclear reactor multiphysics problems using bond graphs. Conventional multiphysics simulation paradigms normally use operator splitting, which treats the ...

  15. Public Bonding Options | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    While the revenue stream need not be directly related to the financed project, capital lease revenue bonds entail a third party guaranteeing an energy savings revenue stream,...

  16. Qualified Energy Conservation Bonds (QECBs) ? State Issues ...

    Broader source: Energy.gov (indexed) [DOE]

    Qualified Energy Conservation Bonds (QECBs) - State Issues & Approaches February 12 th , 2013 DOE's Technical Assistance Program 2 Agenda * TAP Introduction & QECB Resources * QECB...

  17. Tax-Exempt Industrial Revenue Bonds (Kansas)

    Broader source: Energy.gov [DOE]

    Tax-Exempt Industrial Revenue Bonds are issued by cities and counties for the purchase, construction, improvement or remodeling of a facility for agricultural, commercial, hospital, industrial,...

  18. Tax-Exempt Bond Financing (Delaware)

    Broader source: Energy.gov [DOE]

    The Delaware Economic Development Authority provides tax-exempt bond financing for financial assistance to new or expanding businesses, governmental units and certain organizations that are exempt...

  19. IMPACT OF CAPILLARY AND BOND NUMBERS ON RELATIVE PERMEABILITY

    SciTech Connect (OSTI)

    Kishore K. Mohanty

    2002-09-30T23:59:59.000Z

    Recovery and recovery rate of oil, gas and condensates depend crucially on their relative permeability. Relative permeability in turn depends on the pore structure, wettability and flooding conditions, which can be represented by a set of dimensionless groups including capillary and bond numbers. The effect of flooding conditions on drainage relative permeabilities is not well understood and is the overall goal of this project. This project has three specific objectives: to improve the centrifuge relative permeability method, to measure capillary and bond number effects experimentally, and to develop a pore network model for multiphase flows. A centrifuge has been built that can accommodate high pressure core holders and x-ray saturation monitoring. The centrifuge core holders can operate at a pore pressure of 6.9 MPa (1000 psi) and an overburden pressure of 17 MPa (2500 psi). The effect of capillary number on residual saturation and relative permeability in drainage flow has been measured. A pore network model has been developed to study the effect of capillary numbers and viscosity ratio on drainage relative permeability. Capillary and Reynolds number dependence of gas-condensate flow has been studied during well testing. A method has been developed to estimate relative permeability parameters from gas-condensate well test data.

  20. Advancing the Hydrogen Safety Knowledge Base

    SciTech Connect (OSTI)

    Weiner, Steven C.

    2014-12-01T23:59:59.000Z

    A White Paper of the International Energy Agency Hydrogen Implementing Agreement Task 31 - Hydrogen Safety

  1. Chromatographic hydrogen isotope separation

    DOE Patents [OSTI]

    Aldridge, Frederick T. (Livermore, CA)

    1981-01-01T23:59:59.000Z

    Intermetallic compounds with the CaCu.sub.5 type of crystal structure, particularly LaNiCo.sub.4 and CaNi.sub.5, exhibit high separation factors and fast equilibrium times and therefore are useful for packing a chromatographic hydrogen isotope separation colum. The addition of an inert metal to dilute the hydride improves performance of the column. A large scale mutli-stage chromatographic separation process run as a secondary process off a hydrogen feedstream from an industrial plant which uses large volumes of hydrogen can produce large quantities of heavy water at an effective cost for use in heavy water reactors.

  2. NREL's Hydrogen Program

    SciTech Connect (OSTI)

    None

    2011-01-01T23:59:59.000Z

    The research and development taking place today at the National Renewable Energy Laboratory (NREL) is paving the way for nature's most plentiful element—hydrogen—to power the next generation. NREL researchers are working to unlock the potential of hydrogen and to advance the fuel cell technologies that will power the automobiles, equipment, and buildings of tomorrow. Hydrogen and fuel cells are a fundamental part of the broader portfolio of renewable technologies that are moving our nation toward its goals of energy independence and sustainability.

  3. Hydrogen permeability and Integrity of hydrogen transfer pipelines

    E-Print Network [OSTI]

    Hydrogen permeability and Integrity of hydrogen transfer pipelines Team: Sudarsanam Suresh Babu, Z Pressure Permeation Testing) Hydrogen Pipeline R&D, Project Review Meeting Oak Ridge National Laboratory direction and review) #12;Outline of the presentation Background Hydrogen delivery through steel pipelines

  4. Hydrogen plasma enhanced crystallization of hydrogenated amorphous silicon films

    E-Print Network [OSTI]

    Hydrogen plasma enhanced crystallization of hydrogenated amorphous silicon films K. Pangal,a) J. C August 1998; accepted for publication 21 October 1998 We report that a room temperature hydrogen plasma thermal crystallization of amorphous silicon time by a factor of five. Exposure to hydrogen plasma reduces

  5. CuAl{sub 2} revisited: Composition, crystal structure, chemical bonding, compressibility and Raman spectroscopy

    SciTech Connect (OSTI)

    Grin, Yuri [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Noethnitzer Strasse 40, 01187 Dresden (Germany)]. E-mail: grin@cpfs.mpg.de; Wagner, Frank R. [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Noethnitzer Strasse 40, 01187 Dresden (Germany); Armbruester, Marc [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Noethnitzer Strasse 40, 01187 Dresden (Germany); Kohout, Miroslav [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Noethnitzer Strasse 40, 01187 Dresden (Germany); Leithe-Jasper, Andreas [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Noethnitzer Strasse 40, 01187 Dresden (Germany); Schwarz, Ulrich [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Noethnitzer Strasse 40, 01187 Dresden (Germany); Wedig, Ulrich [Max-Planck-Institut fuer Festkoerperforschung, Heisenbergstr. 1, 70569 Stuttgart (Germany); Georg von Schnering, Hans [Max-Planck-Institut fuer Festkoerperforschung, Heisenbergstr. 1, 70569 Stuttgart (Germany)

    2006-06-15T23:59:59.000Z

    The structure of CuAl{sub 2} is usually described as a framework of base condensed tetragonal antiprisms [CuAl{sub 8/4}]. The appropriate symmetry governed periodic nodal surface (PNS) divides the space of the structure into two labyrinths. All atoms are located in one labyrinth, whereas the second labyrinth seems to be 'empty'. The bonding of the CuAl{sub 2} structure was analyzed by the electron localization function (ELF), crystal orbital Hamiltonian population (COHP) analysis and Raman spectroscopy. From the ELF representation it is seen, that the 'empty' labyrinth is in fact the place of important covalent interactions. ELF, COHP in combination with high-pressure X-ray diffraction and Raman spectroscopy show that the CuAl{sub 2} structure is described best as a network built of interpenetrating graphite-like nets of three-bonded aluminum atoms with the copper atoms inside the tetragonal-antiprismatic cavities. - Graphical abstract: Atomic interactions in the crystal structure of the intermetallic compound CuAl{sub 2}: Three-bonded aluminum atoms form interpenetrating graphite-like nets. The copper atoms are located in the channels of aluminum network by means of three-center bonds. The bonding model is in agreement with the result of polarized Raman spectroscopy and high-pressure X-ray powder diffraction.

  6. Hydrogen storage compositions

    DOE Patents [OSTI]

    Li, Wen; Vajo, John J.; Cumberland, Robert W.; Liu, Ping

    2011-04-19T23:59:59.000Z

    Compositions for hydrogen storage and methods of making such compositions employ an alloy that exhibits reversible formation/deformation of BH4- anions. The composition includes a ternary alloy including magnesium, boron and a metal and a metal hydride. The ternary alloy and the metal hydride are present in an amount sufficient to render the composition capable of hydrogen storage. The molar ratio of the metal to magnesium and boron in the alloy is such that the alloy exhibits reversible formation/deformation of BH4- anions. The hydrogen storage composition is prepared by combining magnesium, boron and a metal to prepare a ternary alloy and combining the ternary alloy with a metal hydride to form the hydrogen storage composition.

  7. National Hydrogen Energy Roadmap

    Fuel Cell Technologies Publication and Product Library (EERE)

    This report was unveiled by Energy Secretary Spencer Abraham in November 2002 and provides a blueprint for the coordinated, long-term, public and private efforts required for hydrogen energy developme

  8. The Hydrogen Connection

    SciTech Connect (OSTI)

    Barilo, Nick F.

    2014-05-01T23:59:59.000Z

    As the world seeks to identify alternative energy sources, hydrogen and fuel cell technologies will offer a broad range of benefits for the environment, the economy and energy security.

  9. Thin film hydrogen sensor

    DOE Patents [OSTI]

    Lauf, R.J.; Hoffheins, B.S.; Fleming, P.H.

    1994-11-22T23:59:59.000Z

    A hydrogen sensor element comprises an essentially inert, electrically-insulating substrate having a thin-film metallization deposited thereon which forms at least two resistors on the substrate. The metallization comprises a layer of Pd or a Pd alloy for sensing hydrogen and an underlying intermediate metal layer for providing enhanced adhesion of the metallization to the substrate. An essentially inert, electrically insulating, hydrogen impermeable passivation layer covers at least one of the resistors, and at least one of the resistors is left uncovered. The difference in electrical resistances of the covered resistor and the uncovered resistor is related to hydrogen concentration in a gas to which the sensor element is exposed. 6 figs.

  10. Influence of hydrogen patterning gas on electric and magnetic properties of perpendicular magnetic tunnel junctions

    SciTech Connect (OSTI)

    Jeong, J. H., E-mail: juno@fris.tohoku.ac.jp [Graduate School of Engineering, Tohoku University, Sendai (Japan); Semiconductor R and D Center, Samsung Electronics Co., Ltd., Hwasung (Korea, Republic of); Endoh, T. [Graduate School of Engineering, Tohoku University, Sendai (Japan); Center for Innovative Integrated Electronic Systems, Tohoku University, Sendai (Japan); Kim, Y.; Kim, W. K.; Park, S. O. [Semiconductor R and D Center, Samsung Electronics Co., Ltd., Hwasung (Korea, Republic of)

    2014-05-07T23:59:59.000Z

    To identify the degradation mechanism in magnetic tunnel junctions (MTJs) using hydrogen, the properties of the MTJs were measured by applying an additional hydrogen etch process and a hydrogen plasma process to the patterned MTJs. In these studies, an additional 50?s hydrogen etch process caused the magnetoresistance (MR) to decrease from 103% to 14.7% and the resistance (R) to increase from 6.5?k? to 39?k?. Moreover, an additional 500?s hydrogen plasma process decreased the MR from 103% to 74% and increased R from 6.5?k? to 13.9?k?. These results show that MTJs can be damaged by the hydrogen plasma process as well as by the hydrogen etch process, as the atomic bonds in MgO may break and react with the exposed hydrogen gas. Compounds such as MgO hydrate very easily. We also calculated the damaged layer width (DLW) of the patterned MTJs after the hydrogen etching and plasma processes, to evaluate the downscaling limitations of spin-transfer-torque magnetic random-access memory (STT-MRAM) devices. With these calculations, the maximum DLWs at each side of the MTJ, generated by the etching and plasma processes, were 23.8?nm and 12.8?nm, respectively. This result validates that the hydrogen-based MTJ patterning processes cannot be used exclusively in STT-MRAMs beyond 20?nm.

  11. Mercury stabilization in chemically bonded phosphate ceramics

    SciTech Connect (OSTI)

    Wagh, A. S.; Singh, D.; Jeong, S. Y.

    2000-04-04T23:59:59.000Z

    Mercury stabilization and solidification is a significant challenge for conventional stabilization technologies. This is because of the stringent regulatory limits on leaching of its stabilized products. In a conventional cement stabilization process, Hg is converted at high pH to its hydroxide, which is not a very insoluble compound; hence the preferred route for Hg sulfidation to convert it into insoluble cinnabar (HgS). Unfortunately, efficient formation of this compound is pH-dependent. At a high pH, one obtains a more soluble Hg sulfate, in a very low pH range, insufficient immobilization occurs because of the escape of hydrogen sulfide, while efficient formation of HgS occurs only in a moderately acidic region. Thus, the pH range of 4 to 8 is where stabilization with Chemically Bonded Phosphate Ceramics (CBPC) is carried out. This paper discusses the authors experience on bench-scale stabilization of various US Department of Energy (DOE) waste streams containing Hg in the CBPC process. This process was developed to treat DOE's mixed waste streams. It is a room-temperature-setting process based on an acid-base reaction between magnesium oxide and monopotassium phosphate solution that forms a dense ceramic within hours. For Hg stabilization, addition of a small amount (< 1 wt.%) of Na{sub 2}S or K{sub 2}S is sufficient in the binder composition. Here the Toxicity Characteristic Leaching Procedure (TCLP) results on CBPC waste forms of surrogate waste streams representing secondary Hg containing wastes such as combustion residues and Delphi DETOX{trademark} residues are presented. The results show that although the current limit on leaching of Hg is 0.2 mg/L, the results from the CBPC waste forms are at least one order lower than this stringent limit. Encouraged by these results on surrogate wastes, they treated actual low-level Hg-containing mixed waste from their facility at Idaho. TCLP results on this waste are presented here. The efficient stabilization in all these cases is attributed to chemical immobilization as both a sulfide (cinnabar) and a phosphate, followed by its physical encapsulation in a dense matrix of the ceramic.

  12. Webinar: Hydrogen Compatibility of Materials

    Broader source: Energy.gov [DOE]

    Video recording of the webinar titled, Hydrogen Compatibility of Materials, originally presented on August 13, 2013.

  13. Bulk Hydrogen Strategic Directions for

    E-Print Network [OSTI]

    Bulk Hydrogen Storage Strategic Directions for Hydrogen Delivery Workshop May 7-8, 2003 Crystal City, Virginia #12;Breakout Session - Bulk Hydrogen Storage Main Themes/Caveats Bulk Storage = Anything storage is an economic solution to address supply/demand imbalance #12;Breakout Session - Bulk Hydrogen

  14. Nanostructured materials for hydrogen storage

    DOE Patents [OSTI]

    Williamson, Andrew J. (Pleasanton, CA); Reboredo, Fernando A. (Pleasanton, CA)

    2007-12-04T23:59:59.000Z

    A system for hydrogen storage comprising a porous nano-structured material with hydrogen absorbed on the surfaces of the porous nano-structured material. The system of hydrogen storage comprises absorbing hydrogen on the surfaces of a porous nano-structured semiconductor material.

  15. CODE OF PRACTICE HYDROGEN SULFIDE

    E-Print Network [OSTI]

    Machel, Hans

    CODE OF PRACTICE HYDROGEN SULFIDE Rev January 2013 1 The following generic Code of Practice applies to all work areas within the University of Alberta that use hydrogen sulfide gas or where hydrogen response procedure requirements. All work areas where hydrogen sulfide is used or may be present within

  16. Purdue Hydrogen Systems Laboratory

    SciTech Connect (OSTI)

    Jay P Gore; Robert Kramer; Timothee L Pourpoint; P. V. Ramachandran; Arvind Varma; Yuan Zheng

    2011-12-28T23:59:59.000Z

    The Hydrogen Systems Laboratory in a unique partnership between Purdue University's main campus in West Lafayette and the Calumet campus was established and its capabilities were enhanced towards technology demonstrators. The laboratory engaged in basic research in hydrogen production and storage and initiated engineering systems research with performance goals established as per the USDOE Hydrogen, Fuel Cells, and Infrastructure Technologies Program. In the chemical storage and recycling part of the project, we worked towards maximum recycling yield via novel chemical selection and novel recycling pathways. With the basic potential of a large hydrogen yield from AB, we used it as an example chemical but have also discovered its limitations. Further, we discovered alternate storage chemicals that appear to have advantages over AB. We improved the slurry hydrolysis approach by using advanced slurry/solution mixing techniques. We demonstrated vehicle scale aqueous and non-aqueous slurry reactors to address various engineering issues in on-board chemical hydrogen storage systems. We measured the thermal properties of raw and spent AB. Further, we conducted experiments to determine reaction mechanisms and kinetics of hydrothermolysis in hydride-rich solutions and slurries. We also developed a continuous flow reactor and a laboratory scale fuel cell power generation system. The biological hydrogen production work summarized as Task 4.0 below, included investigating optimal hydrogen production cultures for different substrates, reducing the water content in the substrate, and integrating results from vacuum tube solar collector based pre and post processing tests into an enhanced energy system model. An automated testing device was used to finalize optimal hydrogen production conditions using statistical procedures. A 3 L commercial fermentor (New Brunswick, BioFlo 115) was used to finalize testing of larger samples and to consider issues related to scale up. Efforts continued to explore existing catalytic methods involving nano catalysts for capture of CO2 from the fermentation process.

  17. Hydrogen recovery process

    DOE Patents [OSTI]

    Baker, Richard W. (Palo Alto, CA); Lokhandwala, Kaaeid A. (Union City, CA); He, Zhenjie (Fremont, CA); Pinnau, Ingo (Palo Alto, CA)

    2000-01-01T23:59:59.000Z

    A treatment process for a hydrogen-containing off-gas stream from a refinery, petrochemical plant or the like. The process includes three separation steps: condensation, membrane separation and hydrocarbon fraction separation. The membrane separation step is characterized in that it is carried out under conditions at which the membrane exhibits a selectivity in favor of methane over hydrogen of at least about 2.5.

  18. Comparing air quality impacts of hydrogen and gasoline

    E-Print Network [OSTI]

    Sperling, Dan; Wang, Guihua; Ogden, Joan M.

    2008-01-01T23:59:59.000Z

    pathway, with hydrogen production at refueling stations (with centralized hydrogen production and gaseous hydrogenwith centralized hydrogen production and liquid hydrogen (

  19. Examining hydrogen transitions.

    SciTech Connect (OSTI)

    Plotkin, S. E.; Energy Systems

    2007-03-01T23:59:59.000Z

    This report describes the results of an effort to identify key analytic issues associated with modeling a transition to hydrogen as a fuel for light duty vehicles, and using insights gained from this effort to suggest ways to improve ongoing modeling efforts. The study reported on here examined multiple hydrogen scenarios reported in the literature, identified modeling issues associated with those scenario analyses, and examined three DOE-sponsored hydrogen transition models in the context of those modeling issues. The three hydrogen transition models are HyTrans (contractor: Oak Ridge National Laboratory), MARKAL/DOE* (Brookhaven National Laboratory), and NEMS-H2 (OnLocation, Inc). The goals of these models are (1) to help DOE improve its R&D effort by identifying key technology and other roadblocks to a transition and testing its technical program goals to determine whether they are likely to lead to the market success of hydrogen technologies, (2) to evaluate alternative policies to promote a transition, and (3) to estimate the costs and benefits of alternative pathways to hydrogen development.

  20. Network Management Network Management

    E-Print Network [OSTI]

    that pertain to the operation, administration, maintenance, and provisioning of networked systems · Operation deals with keeping the network up (and the service provided by the network) · Administration involvesNetwork Management Pag. 1 Network Management Andrea Bianco Telecommunication Network Group Network